16169 lines
638 KiB
Plaintext
16169 lines
638 KiB
Plaintext
LAMMPS (4 Jun 2014)
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# problem setup for Monte Carlo relaxation of perturbed 2d hex lattice
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# same as example/MC/in.mc
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units lj
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atom_style atomic
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atom_modify map array sort 0 0.0
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dimension 2
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lattice hex 1.0
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Lattice spacing in x,y,z = 1.07457 1.86121 1.07457
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region box block 0 10 0 5 -0.5 0.5
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create_box 1 box
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Created orthogonal box = (0 0 -0.537285) to (10.7457 9.30605 0.537285)
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1 by 1 by 1 MPI processor grid
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create_atoms 1 box
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Created 100 atoms
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mass 1 1.0
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pair_style lj/cut 2.5
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pair_coeff 1 1 1.0 1.0 2.5
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pair_modify shift yes
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neighbor 0.3 bin
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neigh_modify delay 0 every 1 check yes
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variable e equal pe
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run 0
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WARNING: No fixes defined, atoms won't move (verlet.cpp:55)
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Memory usage per processor = 2.35582 Mbytes
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Step Temp E_pair E_mol TotEng Press
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0 0 -2.9871562 0 -2.9871562 5.8100167
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Loop time of 0 on 1 procs for 0 steps with 100 atoms
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Pair time (%) = 0 (0)
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Neigh time (%) = 0 (0)
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Comm time (%) = 0 (0)
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Outpt time (%) = 0 (0)
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Other time (%) = 0 (0)
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Nlocal: 100 ave 100 max 100 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 164 ave 164 max 164 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 900 ave 900 max 900 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 900
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Ave neighs/atom = 9
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Neighbor list builds = 0
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Dangerous builds = 0
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variable emin equal $e
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variable emin equal -2.98715616447945
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variable elast equal $e
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variable elast equal -2.98715616447945
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thermo_style custom step v_emin v_elast pe
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run 0
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WARNING: No fixes defined, atoms won't move (verlet.cpp:55)
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Memory usage per processor = 2.35582 Mbytes
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Step emin elast PotEng
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0 -2.9871562 -2.9871562 23.597376
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Loop time of 0 on 1 procs for 0 steps with 100 atoms
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Pair time (%) = 0 (0)
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Neigh time (%) = 0 (0)
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Comm time (%) = 0 (0)
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Outpt time (%) = 0 (0)
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Other time (%) = 0 (0)
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Nlocal: 100 ave 100 max 100 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 140 ave 140 max 140 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 1141 ave 1141 max 1141 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 1141
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Ave neighs/atom = 11.41
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Neighbor list builds = 0
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Dangerous builds = 0
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variable elast equal $e
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variable elast equal 23.5973758732705
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run 1 pre no post no
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Step emin elast PotEng
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0 -2.9871562 23.597376 23.597376
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1 -2.9871562 23.597376 23.503233
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Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 23.5032330660078
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run 1 pre no post no
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Step emin elast PotEng
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1 -2.9871562 23.503233 23.503233
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2 -2.9871562 23.503233 23.365183
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 23.365182561201
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run 1 pre no post no
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Step emin elast PotEng
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2 -2.9871562 23.365183 23.365183
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3 -2.9871562 23.365183 23.300092
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 23.3000917778275
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run 1 pre no post no
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Step emin elast PotEng
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3 -2.9871562 23.300092 23.300092
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4 -2.9871562 23.300092 30.419597
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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4 -2.9871562 23.300092 30.419597
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5 -2.9871562 23.300092 25.279979
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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5 -2.9871562 23.300092 25.279979
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6 -2.9871562 23.300092 23.538587
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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6 -2.9871562 23.300092 23.538587
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7 -2.9871562 23.300092 24.40638
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Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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7 -2.9871562 23.300092 24.40638
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8 -2.9871562 23.300092 23.111325
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 23.1113253107626
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run 1 pre no post no
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Step emin elast PotEng
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8 -2.9871562 23.111325 23.111325
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9 -2.9871562 23.111325 23.226396
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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9 -2.9871562 23.111325 23.226396
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10 -2.9871562 23.111325 23.085635
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 23.085635397833
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run 1 pre no post no
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Step emin elast PotEng
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10 -2.9871562 23.085635 23.085635
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11 -2.9871562 23.085635 24.082311
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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11 -2.9871562 23.085635 24.082311
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12 -2.9871562 23.085635 23.931273
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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12 -2.9871562 23.085635 23.931273
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13 -2.9871562 23.085635 24.096242
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Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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13 -2.9871562 23.085635 24.096242
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14 -2.9871562 23.085635 22.679804
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Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 22.6798044684243
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run 1 pre no post no
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Step emin elast PotEng
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14 -2.9871562 22.679804 22.679804
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15 -2.9871562 22.679804 22.447311
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Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 22.447311204358
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run 1 pre no post no
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Step emin elast PotEng
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15 -2.9871562 22.447311 22.447311
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16 -2.9871562 22.447311 21.532439
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 21.5324391078033
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run 1 pre no post no
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Step emin elast PotEng
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16 -2.9871562 21.532439 21.532439
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17 -2.9871562 21.532439 21.486997
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Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 21.4869965895482
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run 1 pre no post no
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Step emin elast PotEng
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17 -2.9871562 21.486997 21.486997
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18 -2.9871562 21.486997 21.268878
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Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 21.268878373734
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run 1 pre no post no
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Step emin elast PotEng
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18 -2.9871562 21.268878 21.268878
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19 -2.9871562 21.268878 21.082892
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Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 21.0828921276693
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run 1 pre no post no
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Step emin elast PotEng
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19 -2.9871562 21.082892 21.082892
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20 -2.9871562 21.082892 21.23571
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Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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20 -2.9871562 21.082892 21.23571
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21 -2.9871562 21.082892 21.006638
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 21.0066378116118
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run 1 pre no post no
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Step emin elast PotEng
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21 -2.9871562 21.006638 21.006638
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22 -2.9871562 21.006638 20.878918
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 20.8789179838073
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run 1 pre no post no
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Step emin elast PotEng
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22 -2.9871562 20.878918 20.878918
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23 -2.9871562 20.878918 21.42579
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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23 -2.9871562 20.878918 21.42579
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24 -2.9871562 20.878918 20.927378
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Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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24 -2.9871562 20.878918 20.927378
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25 -2.9871562 20.878918 20.825088
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 20.8250875497331
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run 1 pre no post no
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Step emin elast PotEng
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25 -2.9871562 20.825088 20.825088
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26 -2.9871562 20.825088 21.08764
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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26 -2.9871562 20.825088 21.08764
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27 -2.9871562 20.825088 21.019386
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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27 -2.9871562 20.825088 21.019386
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28 -2.9871562 20.825088 21.030174
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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28 -2.9871562 20.825088 21.030174
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29 -2.9871562 20.825088 21.941952
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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29 -2.9871562 20.825088 21.941952
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30 -2.9871562 20.825088 20.85452
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Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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30 -2.9871562 20.825088 20.85452
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31 -2.9871562 20.825088 20.57444
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Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 20.5744395660496
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run 1 pre no post no
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Step emin elast PotEng
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31 -2.9871562 20.57444 20.57444
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32 -2.9871562 20.57444 20.583901
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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32 -2.9871562 20.57444 20.583901
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33 -2.9871562 20.57444 20.912658
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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33 -2.9871562 20.57444 20.912658
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34 -2.9871562 20.57444 20.628711
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Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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34 -2.9871562 20.57444 20.628711
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35 -2.9871562 20.57444 20.582526
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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35 -2.9871562 20.57444 20.582526
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36 -2.9871562 20.57444 20.608939
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Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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36 -2.9871562 20.57444 20.608939
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37 -2.9871562 20.57444 20.560254
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 20.5602535567031
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run 1 pre no post no
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Step emin elast PotEng
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37 -2.9871562 20.560254 20.560254
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38 -2.9871562 20.560254 20.567114
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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38 -2.9871562 20.560254 20.567114
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39 -2.9871562 20.560254 21.207081
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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39 -2.9871562 20.560254 21.207081
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40 -2.9871562 20.560254 20.541415
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Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 20.5414148868439
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run 1 pre no post no
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Step emin elast PotEng
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40 -2.9871562 20.541415 20.541415
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41 -2.9871562 20.541415 20.488579
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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variable elast equal $e
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variable elast equal 20.4885794170387
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run 1 pre no post no
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Step emin elast PotEng
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41 -2.9871562 20.488579 20.488579
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42 -2.9871562 20.488579 25.673537
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Loop time of 4.81606e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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42 -2.9871562 20.488579 25.673537
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43 -2.9871562 20.488579 20.518392
|
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Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
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run 1 pre no post no
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Step emin elast PotEng
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|
43 -2.9871562 20.488579 20.518392
|
|
44 -2.9871562 20.488579 19.670271
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 19.6702714947962
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run 1 pre no post no
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|
Step emin elast PotEng
|
|
44 -2.9871562 19.670271 19.670271
|
|
45 -2.9871562 19.670271 19.552398
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 19.5523981389673
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
45 -2.9871562 19.552398 19.552398
|
|
46 -2.9871562 19.552398 19.616816
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
46 -2.9871562 19.552398 19.616816
|
|
47 -2.9871562 19.552398 19.709453
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
47 -2.9871562 19.552398 19.709453
|
|
48 -2.9871562 19.552398 19.549212
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 19.5492120714356
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
48 -2.9871562 19.549212 19.549212
|
|
49 -2.9871562 19.549212 19.041498
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 19.0414977318459
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
49 -2.9871562 19.041498 19.041498
|
|
50 -2.9871562 19.041498 19.0398
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 19.0398002078251
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
50 -2.9871562 19.0398 19.0398
|
|
51 -2.9871562 19.0398 19.01331
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 19.0133102038933
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|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
51 -2.9871562 19.01331 19.01331
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|
52 -2.9871562 19.01331 18.942884
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 18.9428844046155
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|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
52 -2.9871562 18.942884 18.942884
|
|
53 -2.9871562 18.942884 18.953884
|
|
Loop time of 9.01222e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
53 -2.9871562 18.942884 18.953884
|
|
54 -2.9871562 18.942884 18.922571
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 18.9225708290457
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
54 -2.9871562 18.922571 18.922571
|
|
55 -2.9871562 18.922571 18.94128
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
55 -2.9871562 18.922571 18.94128
|
|
56 -2.9871562 18.922571 19.353642
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
56 -2.9871562 18.922571 19.353642
|
|
57 -2.9871562 18.922571 18.905113
|
|
Loop time of 0.00904822 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 18.9051132503562
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
57 -2.9871562 18.905113 18.905113
|
|
58 -2.9871562 18.905113 18.897177
|
|
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 18.8971768581059
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
58 -2.9871562 18.897177 18.897177
|
|
59 -2.9871562 18.897177 19.236177
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
59 -2.9871562 18.897177 19.236177
|
|
60 -2.9871562 18.897177 18.858581
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 18.8585811392412
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
60 -2.9871562 18.858581 18.858581
|
|
61 -2.9871562 18.858581 18.824427
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 18.8244268554594
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
61 -2.9871562 18.824427 18.824427
|
|
62 -2.9871562 18.824427 18.826411
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
62 -2.9871562 18.824427 18.826411
|
|
63 -2.9871562 18.824427 18.415216
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 18.4152164668355
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
63 -2.9871562 18.415216 18.415216
|
|
64 -2.9871562 18.415216 30.024816
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
64 -2.9871562 18.415216 30.024816
|
|
65 -2.9871562 18.415216 19.967855
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
65 -2.9871562 18.415216 19.967855
|
|
66 -2.9871562 18.415216 18.07768
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 18.0776804787666
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
66 -2.9871562 18.07768 18.07768
|
|
67 -2.9871562 18.07768 18.050236
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 18.0502364479506
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
67 -2.9871562 18.050236 18.050236
|
|
68 -2.9871562 18.050236 18.362029
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
68 -2.9871562 18.050236 18.362029
|
|
69 -2.9871562 18.050236 18.051455
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
69 -2.9871562 18.050236 18.051455
|
|
70 -2.9871562 18.050236 18.137312
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
70 -2.9871562 18.050236 18.137312
|
|
71 -2.9871562 18.050236 18.055633
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
71 -2.9871562 18.050236 18.055633
|
|
72 -2.9871562 18.050236 18.087093
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
72 -2.9871562 18.050236 18.087093
|
|
73 -2.9871562 18.050236 18.049799
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 18.049798867206
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
73 -2.9871562 18.049799 18.049799
|
|
74 -2.9871562 18.049799 18.053072
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
74 -2.9871562 18.049799 18.053072
|
|
75 -2.9871562 18.049799 18.044393
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 18.0443933465851
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
75 -2.9871562 18.044393 18.044393
|
|
76 -2.9871562 18.044393 17.951319
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 17.9513187883918
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
76 -2.9871562 17.951319 17.951319
|
|
77 -2.9871562 17.951319 17.632906
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 17.6329062600221
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
77 -2.9871562 17.632906 17.632906
|
|
78 -2.9871562 17.632906 17.656751
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
78 -2.9871562 17.632906 17.656751
|
|
79 -2.9871562 17.632906 17.938679
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
79 -2.9871562 17.632906 17.938679
|
|
80 -2.9871562 17.632906 19.899778
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
80 -2.9871562 17.632906 19.899778
|
|
81 -2.9871562 17.632906 17.649419
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
81 -2.9871562 17.632906 17.649419
|
|
82 -2.9871562 17.632906 17.653946
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
82 -2.9871562 17.632906 17.653946
|
|
83 -2.9871562 17.632906 17.624373
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 17.6243725747982
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
83 -2.9871562 17.624373 17.624373
|
|
84 -2.9871562 17.624373 18.284757
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
84 -2.9871562 17.624373 18.284757
|
|
85 -2.9871562 17.624373 17.633095
|
|
Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
85 -2.9871562 17.624373 17.633095
|
|
86 -2.9871562 17.624373 17.616936
|
|
Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 17.6169357446388
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
86 -2.9871562 17.616936 17.616936
|
|
87 -2.9871562 17.616936 17.60235
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 17.6023497334982
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
87 -2.9871562 17.60235 17.60235
|
|
88 -2.9871562 17.60235 17.541719
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 17.5417188410189
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
88 -2.9871562 17.541719 17.541719
|
|
89 -2.9871562 17.541719 18.276067
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
89 -2.9871562 17.541719 18.276067
|
|
90 -2.9871562 17.541719 17.574591
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
90 -2.9871562 17.541719 17.574591
|
|
91 -2.9871562 17.541719 17.486031
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 17.4860314532053
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
91 -2.9871562 17.486031 17.486031
|
|
92 -2.9871562 17.486031 17.558955
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
92 -2.9871562 17.486031 17.558955
|
|
93 -2.9871562 17.486031 18.295358
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
93 -2.9871562 17.486031 18.295358
|
|
94 -2.9871562 17.486031 18.180216
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
94 -2.9871562 17.486031 18.180216
|
|
95 -2.9871562 17.486031 17.494206
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
95 -2.9871562 17.486031 17.494206
|
|
96 -2.9871562 17.486031 17.4941
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
96 -2.9871562 17.486031 17.4941
|
|
97 -2.9871562 17.486031 17.455195
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 17.4551946015021
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
97 -2.9871562 17.455195 17.455195
|
|
98 -2.9871562 17.455195 17.280399
|
|
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 17.2803988438267
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
98 -2.9871562 17.280399 17.280399
|
|
99 -2.9871562 17.280399 18.076257
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
99 -2.9871562 17.280399 18.076257
|
|
100 -2.9871562 17.280399 17.334385
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
100 -2.9871562 17.280399 17.334385
|
|
101 -2.9871562 17.280399 17.540846
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
101 -2.9871562 17.280399 17.540846
|
|
102 -2.9871562 17.280399 17.192873
|
|
Loop time of 0.0126331 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 17.192873158717
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
102 -2.9871562 17.192873 17.192873
|
|
103 -2.9871562 17.192873 17.188658
|
|
Loop time of 4.31538e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 17.1886577115308
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
103 -2.9871562 17.188658 17.188658
|
|
104 -2.9871562 17.188658 17.183089
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 17.1830893413904
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
104 -2.9871562 17.183089 17.183089
|
|
105 -2.9871562 17.183089 18.041712
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
105 -2.9871562 17.183089 18.041712
|
|
106 -2.9871562 17.183089 17.54233
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
106 -2.9871562 17.183089 17.54233
|
|
107 -2.9871562 17.183089 17.171051
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 17.1710511601681
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
107 -2.9871562 17.171051 17.171051
|
|
108 -2.9871562 17.171051 17.261737
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
108 -2.9871562 17.171051 17.261737
|
|
109 -2.9871562 17.171051 17.172846
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
109 -2.9871562 17.171051 17.172846
|
|
110 -2.9871562 17.171051 17.11891
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 17.1189104630071
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
110 -2.9871562 17.11891 17.11891
|
|
111 -2.9871562 17.11891 14.114966
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 14.1149661550018
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
111 -2.9871562 14.114966 14.114966
|
|
112 -2.9871562 14.114966 14.122489
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
112 -2.9871562 14.114966 14.122489
|
|
113 -2.9871562 14.114966 14.569165
|
|
Loop time of 8.89301e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
113 -2.9871562 14.114966 14.569165
|
|
114 -2.9871562 14.114966 14.060056
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 14.0600555716125
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
114 -2.9871562 14.060056 14.060056
|
|
115 -2.9871562 14.060056 14.059537
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 14.059537381401
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
115 -2.9871562 14.059537 14.059537
|
|
116 -2.9871562 14.059537 14.06316
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
116 -2.9871562 14.059537 14.06316
|
|
117 -2.9871562 14.059537 14.007522
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 14.0075223470808
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
117 -2.9871562 14.007522 14.007522
|
|
118 -2.9871562 14.007522 13.837848
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 13.8378477914946
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
118 -2.9871562 13.837848 13.837848
|
|
119 -2.9871562 13.837848 13.843937
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
119 -2.9871562 13.837848 13.843937
|
|
120 -2.9871562 13.837848 14.585461
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
120 -2.9871562 13.837848 14.585461
|
|
121 -2.9871562 13.837848 14.799855
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
121 -2.9871562 13.837848 14.799855
|
|
122 -2.9871562 13.837848 13.791922
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 13.791921620762
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
122 -2.9871562 13.791922 13.791922
|
|
123 -2.9871562 13.791922 14.077977
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
123 -2.9871562 13.791922 14.077977
|
|
124 -2.9871562 13.791922 13.774365
|
|
Loop time of 8.70228e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 13.7743651003912
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
124 -2.9871562 13.774365 13.774365
|
|
125 -2.9871562 13.774365 13.861358
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
125 -2.9871562 13.774365 13.861358
|
|
126 -2.9871562 13.774365 13.594321
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 13.5943205817737
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
126 -2.9871562 13.594321 13.594321
|
|
127 -2.9871562 13.594321 13.547983
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 13.5479834495213
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
127 -2.9871562 13.547983 13.547983
|
|
128 -2.9871562 13.547983 13.581869
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
128 -2.9871562 13.547983 13.581869
|
|
129 -2.9871562 13.547983 13.547695
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 13.547695108945
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
129 -2.9871562 13.547695 13.547695
|
|
130 -2.9871562 13.547695 13.548426
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
130 -2.9871562 13.547695 13.548426
|
|
131 -2.9871562 13.547695 13.539641
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 13.5396412151801
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
131 -2.9871562 13.539641 13.539641
|
|
132 -2.9871562 13.539641 13.417986
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 13.4179861906278
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
132 -2.9871562 13.417986 13.417986
|
|
133 -2.9871562 13.417986 13.590321
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
133 -2.9871562 13.417986 13.590321
|
|
134 -2.9871562 13.417986 13.158547
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 13.1585468609877
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
134 -2.9871562 13.158547 13.158547
|
|
135 -2.9871562 13.158547 13.251324
|
|
Loop time of 8.60691e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
135 -2.9871562 13.158547 13.251324
|
|
136 -2.9871562 13.158547 13.179807
|
|
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
136 -2.9871562 13.158547 13.179807
|
|
137 -2.9871562 13.158547 13.163725
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
137 -2.9871562 13.158547 13.163725
|
|
138 -2.9871562 13.158547 13.110733
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 13.110732650405
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
138 -2.9871562 13.110733 13.110733
|
|
139 -2.9871562 13.110733 13.160214
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
139 -2.9871562 13.110733 13.160214
|
|
140 -2.9871562 13.110733 13.135364
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
140 -2.9871562 13.110733 13.135364
|
|
141 -2.9871562 13.110733 13.190344
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
141 -2.9871562 13.110733 13.190344
|
|
142 -2.9871562 13.110733 13.183527
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
142 -2.9871562 13.110733 13.183527
|
|
143 -2.9871562 13.110733 13.05627
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 13.0562698995685
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
143 -2.9871562 13.05627 13.05627
|
|
144 -2.9871562 13.05627 13.042186
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 13.0421855893476
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
144 -2.9871562 13.042186 13.042186
|
|
145 -2.9871562 13.042186 13.041169
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 13.0411686125102
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
145 -2.9871562 13.041169 13.041169
|
|
146 -2.9871562 13.041169 13.073298
|
|
Loop time of 9.91821e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
146 -2.9871562 13.041169 13.073298
|
|
147 -2.9871562 13.041169 12.961492
|
|
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 12.9614915811158
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
147 -2.9871562 12.961492 12.961492
|
|
148 -2.9871562 12.961492 13.08687
|
|
Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
148 -2.9871562 12.961492 13.08687
|
|
149 -2.9871562 12.961492 16.135802
|
|
Loop time of 4.31538e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
149 -2.9871562 12.961492 16.135802
|
|
150 -2.9871562 12.961492 12.943178
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 12.9431779431511
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
150 -2.9871562 12.943178 12.943178
|
|
151 -2.9871562 12.943178 12.941748
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 12.94174757891
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
151 -2.9871562 12.941748 12.941748
|
|
152 -2.9871562 12.941748 12.954545
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
152 -2.9871562 12.941748 12.954545
|
|
153 -2.9871562 12.941748 12.730032
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 12.7300320924743
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
153 -2.9871562 12.730032 12.730032
|
|
154 -2.9871562 12.730032 12.731769
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
154 -2.9871562 12.730032 12.731769
|
|
155 -2.9871562 12.730032 12.898486
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
155 -2.9871562 12.730032 12.898486
|
|
156 -2.9871562 12.730032 12.729948
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 12.7299478857533
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
156 -2.9871562 12.729948 12.729948
|
|
157 -2.9871562 12.729948 12.730624
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
157 -2.9871562 12.729948 12.730624
|
|
158 -2.9871562 12.729948 12.750112
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
158 -2.9871562 12.729948 12.750112
|
|
159 -2.9871562 12.729948 12.691744
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 12.6917439259755
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
159 -2.9871562 12.691744 12.691744
|
|
160 -2.9871562 12.691744 12.667089
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 12.6670893327644
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
160 -2.9871562 12.667089 12.667089
|
|
161 -2.9871562 12.667089 12.733229
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
161 -2.9871562 12.667089 12.733229
|
|
162 -2.9871562 12.667089 12.703798
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
162 -2.9871562 12.667089 12.703798
|
|
163 -2.9871562 12.667089 12.988856
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
163 -2.9871562 12.667089 12.988856
|
|
164 -2.9871562 12.667089 12.53513
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 12.5351302278882
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
164 -2.9871562 12.53513 12.53513
|
|
165 -2.9871562 12.53513 12.363166
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 12.3631662578884
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
165 -2.9871562 12.363166 12.363166
|
|
166 -2.9871562 12.363166 12.373921
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
166 -2.9871562 12.363166 12.373921
|
|
167 -2.9871562 12.363166 12.400817
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
167 -2.9871562 12.363166 12.400817
|
|
168 -2.9871562 12.363166 12.363357
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
168 -2.9871562 12.363166 12.363357
|
|
169 -2.9871562 12.363166 12.382143
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
169 -2.9871562 12.363166 12.382143
|
|
170 -2.9871562 12.363166 12.288885
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 12.2888847308211
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
170 -2.9871562 12.288885 12.288885
|
|
171 -2.9871562 12.288885 12.247376
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 12.2473764839827
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
171 -2.9871562 12.247376 12.247376
|
|
172 -2.9871562 12.247376 12.362627
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
172 -2.9871562 12.247376 12.362627
|
|
173 -2.9871562 12.247376 12.726833
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
173 -2.9871562 12.247376 12.726833
|
|
174 -2.9871562 12.247376 12.252656
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
174 -2.9871562 12.247376 12.252656
|
|
175 -2.9871562 12.247376 11.609057
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 11.609056832848
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
175 -2.9871562 11.609057 11.609057
|
|
176 -2.9871562 11.609057 11.785728
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
176 -2.9871562 11.609057 11.785728
|
|
177 -2.9871562 11.609057 11.607648
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 11.6076478603615
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
177 -2.9871562 11.607648 11.607648
|
|
178 -2.9871562 11.607648 11.077635
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 11.0776353891978
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
178 -2.9871562 11.077635 11.077635
|
|
179 -2.9871562 11.077635 11.167463
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
179 -2.9871562 11.077635 11.167463
|
|
180 -2.9871562 11.077635 11.294601
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
180 -2.9871562 11.077635 11.294601
|
|
181 -2.9871562 11.077635 11.068571
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 11.0685710171858
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
181 -2.9871562 11.068571 11.068571
|
|
182 -2.9871562 11.068571 11.068054
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 11.0680535119418
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
182 -2.9871562 11.068054 11.068054
|
|
183 -2.9871562 11.068054 11.273187
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
183 -2.9871562 11.068054 11.273187
|
|
184 -2.9871562 11.068054 11.111613
|
|
Loop time of 8.70228e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
184 -2.9871562 11.068054 11.111613
|
|
185 -2.9871562 11.068054 11.071642
|
|
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
185 -2.9871562 11.068054 11.071642
|
|
186 -2.9871562 11.068054 11.100653
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
186 -2.9871562 11.068054 11.100653
|
|
187 -2.9871562 11.068054 11.142136
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
187 -2.9871562 11.068054 11.142136
|
|
188 -2.9871562 11.068054 11.008957
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 11.0089568131483
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
188 -2.9871562 11.008957 11.008957
|
|
189 -2.9871562 11.008957 11.008737
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 11.0087367457311
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
189 -2.9871562 11.008737 11.008737
|
|
190 -2.9871562 11.008737 10.999643
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 10.9996433273003
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
190 -2.9871562 10.999643 10.999643
|
|
191 -2.9871562 10.999643 11.039888
|
|
Loop time of 9.91821e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
191 -2.9871562 10.999643 11.039888
|
|
192 -2.9871562 10.999643 10.998142
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 10.9981417878159
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
192 -2.9871562 10.998142 10.998142
|
|
193 -2.9871562 10.998142 11.010426
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
193 -2.9871562 10.998142 11.010426
|
|
194 -2.9871562 10.998142 11.401481
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
194 -2.9871562 10.998142 11.401481
|
|
195 -2.9871562 10.998142 11.669346
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
195 -2.9871562 10.998142 11.669346
|
|
196 -2.9871562 10.998142 11.489185
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
196 -2.9871562 10.998142 11.489185
|
|
197 -2.9871562 10.998142 11.078141
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
197 -2.9871562 10.998142 11.078141
|
|
198 -2.9871562 10.998142 11.014032
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
198 -2.9871562 10.998142 11.014032
|
|
199 -2.9871562 10.998142 14.13721
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
199 -2.9871562 10.998142 14.13721
|
|
200 -2.9871562 10.998142 11.060696
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
200 -2.9871562 10.998142 11.060696
|
|
201 -2.9871562 10.998142 11.00526
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
201 -2.9871562 10.998142 11.00526
|
|
202 -2.9871562 10.998142 10.978363
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 10.978362506222
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
202 -2.9871562 10.978363 10.978363
|
|
203 -2.9871562 10.978363 10.997887
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
203 -2.9871562 10.978363 10.997887
|
|
204 -2.9871562 10.978363 13.953699
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
204 -2.9871562 10.978363 13.953699
|
|
205 -2.9871562 10.978363 10.999326
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
205 -2.9871562 10.978363 10.999326
|
|
206 -2.9871562 10.978363 11.053874
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
206 -2.9871562 10.978363 11.053874
|
|
207 -2.9871562 10.978363 10.736304
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 10.7363042889002
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
207 -2.9871562 10.736304 10.736304
|
|
208 -2.9871562 10.736304 10.788912
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
208 -2.9871562 10.736304 10.788912
|
|
209 -2.9871562 10.736304 10.737022
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
209 -2.9871562 10.736304 10.737022
|
|
210 -2.9871562 10.736304 10.99485
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
210 -2.9871562 10.736304 10.99485
|
|
211 -2.9871562 10.736304 11.132475
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
211 -2.9871562 10.736304 11.132475
|
|
212 -2.9871562 10.736304 10.755007
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
212 -2.9871562 10.736304 10.755007
|
|
213 -2.9871562 10.736304 12.476437
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
213 -2.9871562 10.736304 12.476437
|
|
214 -2.9871562 10.736304 10.760095
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
214 -2.9871562 10.736304 10.760095
|
|
215 -2.9871562 10.736304 10.74091
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
215 -2.9871562 10.736304 10.74091
|
|
216 -2.9871562 10.736304 10.792787
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
216 -2.9871562 10.736304 10.792787
|
|
217 -2.9871562 10.736304 13.830235
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
217 -2.9871562 10.736304 13.830235
|
|
218 -2.9871562 10.736304 10.876057
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
218 -2.9871562 10.736304 10.876057
|
|
219 -2.9871562 10.736304 10.707349
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 10.7073494529312
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
219 -2.9871562 10.707349 10.707349
|
|
220 -2.9871562 10.707349 10.848699
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
220 -2.9871562 10.707349 10.848699
|
|
221 -2.9871562 10.707349 10.001678
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 10.0016784569074
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
221 -2.9871562 10.001678 10.001678
|
|
222 -2.9871562 10.001678 9.9511813
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 9.95118126791516
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
222 -2.9871562 9.9511813 9.9511813
|
|
223 -2.9871562 9.9511813 10.164696
|
|
Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
223 -2.9871562 9.9511813 10.164696
|
|
224 -2.9871562 9.9511813 9.595828
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 9.59582801222034
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
224 -2.9871562 9.595828 9.595828
|
|
225 -2.9871562 9.595828 9.6051448
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
225 -2.9871562 9.595828 9.6051448
|
|
226 -2.9871562 9.595828 9.7980206
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
226 -2.9871562 9.595828 9.7980206
|
|
227 -2.9871562 9.595828 9.2422837
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 9.24228366267466
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
227 -2.9871562 9.2422837 9.2422837
|
|
228 -2.9871562 9.2422837 9.2436598
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
228 -2.9871562 9.2422837 9.2436598
|
|
229 -2.9871562 9.2422837 9.2479928
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
229 -2.9871562 9.2422837 9.2479928
|
|
230 -2.9871562 9.2422837 10.548468
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
230 -2.9871562 9.2422837 10.548468
|
|
231 -2.9871562 9.2422837 9.2890658
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
231 -2.9871562 9.2422837 9.2890658
|
|
232 -2.9871562 9.2422837 9.2648361
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
232 -2.9871562 9.2422837 9.2648361
|
|
233 -2.9871562 9.2422837 9.2283564
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 9.22835644397925
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
233 -2.9871562 9.2283564 9.2283564
|
|
234 -2.9871562 9.2283564 9.2981346
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
234 -2.9871562 9.2283564 9.2981346
|
|
235 -2.9871562 9.2283564 9.2459611
|
|
Loop time of 9.01222e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
235 -2.9871562 9.2283564 9.2459611
|
|
236 -2.9871562 9.2283564 9.2052359
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 9.20523593950157
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
236 -2.9871562 9.2052359 9.2052359
|
|
237 -2.9871562 9.2052359 9.6093044
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
237 -2.9871562 9.2052359 9.6093044
|
|
238 -2.9871562 9.2052359 9.2115359
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
238 -2.9871562 9.2052359 9.2115359
|
|
239 -2.9871562 9.2052359 9.2646195
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
239 -2.9871562 9.2052359 9.2646195
|
|
240 -2.9871562 9.2052359 9.1840145
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 9.18401445212419
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
240 -2.9871562 9.1840145 9.1840145
|
|
241 -2.9871562 9.1840145 9.1197054
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 9.11970539254624
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
241 -2.9871562 9.1197054 9.1197054
|
|
242 -2.9871562 9.1197054 9.1160129
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 9.11601292573883
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
242 -2.9871562 9.1160129 9.1160129
|
|
243 -2.9871562 9.1160129 9.1187783
|
|
Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
243 -2.9871562 9.1160129 9.1187783
|
|
244 -2.9871562 9.1160129 9.0514419
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 9.05144192636111
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
244 -2.9871562 9.0514419 9.0514419
|
|
245 -2.9871562 9.0514419 9.0647054
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
245 -2.9871562 9.0514419 9.0647054
|
|
246 -2.9871562 9.0514419 9.4142083
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
246 -2.9871562 9.0514419 9.4142083
|
|
247 -2.9871562 9.0514419 9.0826192
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
247 -2.9871562 9.0514419 9.0826192
|
|
248 -2.9871562 9.0514419 9.1922361
|
|
Loop time of 5.00679e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
248 -2.9871562 9.0514419 9.1922361
|
|
249 -2.9871562 9.0514419 9.0431312
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 9.04313121645031
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
249 -2.9871562 9.0431312 9.0431312
|
|
250 -2.9871562 9.0431312 9.2397612
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
250 -2.9871562 9.0431312 9.2397612
|
|
251 -2.9871562 9.0431312 10.162177
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
251 -2.9871562 9.0431312 10.162177
|
|
252 -2.9871562 9.0431312 9.0639723
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
252 -2.9871562 9.0431312 9.0639723
|
|
253 -2.9871562 9.0431312 9.0488366
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
253 -2.9871562 9.0431312 9.0488366
|
|
254 -2.9871562 9.0431312 9.0153578
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 9.01535784733353
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
254 -2.9871562 9.0153578 9.0153578
|
|
255 -2.9871562 9.0153578 9.0417298
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
255 -2.9871562 9.0153578 9.0417298
|
|
256 -2.9871562 9.0153578 9.0173229
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
256 -2.9871562 9.0153578 9.0173229
|
|
257 -2.9871562 9.0153578 9.0015862
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 9.00158620987903
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
257 -2.9871562 9.0015862 9.0015862
|
|
258 -2.9871562 9.0015862 8.4110583
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 8.41105830038879
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
258 -2.9871562 8.4110583 8.4110583
|
|
259 -2.9871562 8.4110583 8.5659389
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
259 -2.9871562 8.4110583 8.5659389
|
|
260 -2.9871562 8.4110583 8.408087
|
|
Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 8.40808697704375
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
260 -2.9871562 8.408087 8.408087
|
|
261 -2.9871562 8.408087 8.4471764
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
261 -2.9871562 8.408087 8.4471764
|
|
262 -2.9871562 8.408087 7.5089224
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.50892240162759
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
262 -2.9871562 7.5089224 7.5089224
|
|
263 -2.9871562 7.5089224 7.516341
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
263 -2.9871562 7.5089224 7.516341
|
|
264 -2.9871562 7.5089224 7.7734218
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
264 -2.9871562 7.5089224 7.7734218
|
|
265 -2.9871562 7.5089224 7.5049826
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.5049826295197
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
265 -2.9871562 7.5049826 7.5049826
|
|
266 -2.9871562 7.5049826 7.5829731
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
266 -2.9871562 7.5049826 7.5829731
|
|
267 -2.9871562 7.5049826 7.368635
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.36863495698967
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
267 -2.9871562 7.368635 7.368635
|
|
268 -2.9871562 7.368635 7.3692289
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.3692289074622
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
268 -2.9871562 7.3692289 7.3692289
|
|
269 -2.9871562 7.3692289 10.274657
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
269 -2.9871562 7.3692289 10.274657
|
|
270 -2.9871562 7.3692289 7.3848186
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
270 -2.9871562 7.3692289 7.3848186
|
|
271 -2.9871562 7.3692289 7.6896668
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
271 -2.9871562 7.3692289 7.6896668
|
|
272 -2.9871562 7.3692289 7.3839187
|
|
Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
272 -2.9871562 7.3692289 7.3839187
|
|
273 -2.9871562 7.3692289 7.3380925
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.33809246539302
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
273 -2.9871562 7.3380925 7.3380925
|
|
274 -2.9871562 7.3380925 8.272154
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
274 -2.9871562 7.3380925 8.272154
|
|
275 -2.9871562 7.3380925 7.3272092
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.32720919655503
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
275 -2.9871562 7.3272092 7.3272092
|
|
276 -2.9871562 7.3272092 7.3311829
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
276 -2.9871562 7.3272092 7.3311829
|
|
277 -2.9871562 7.3272092 7.4812634
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
277 -2.9871562 7.3272092 7.4812634
|
|
278 -2.9871562 7.3272092 7.3330244
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
278 -2.9871562 7.3272092 7.3330244
|
|
279 -2.9871562 7.3272092 7.3552676
|
|
Loop time of 5.00679e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
279 -2.9871562 7.3272092 7.3552676
|
|
280 -2.9871562 7.3272092 7.3133354
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.31333538420165
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
280 -2.9871562 7.3133354 7.3133354
|
|
281 -2.9871562 7.3133354 7.7706215
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
281 -2.9871562 7.3133354 7.7706215
|
|
282 -2.9871562 7.3133354 7.3484805
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
282 -2.9871562 7.3133354 7.3484805
|
|
283 -2.9871562 7.3133354 7.4195799
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
283 -2.9871562 7.3133354 7.4195799
|
|
284 -2.9871562 7.3133354 7.503904
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
284 -2.9871562 7.3133354 7.503904
|
|
285 -2.9871562 7.3133354 7.3926993
|
|
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
285 -2.9871562 7.3133354 7.3926993
|
|
286 -2.9871562 7.3133354 7.3517131
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
286 -2.9871562 7.3133354 7.3517131
|
|
287 -2.9871562 7.3133354 7.4430674
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
287 -2.9871562 7.3133354 7.4430674
|
|
288 -2.9871562 7.3133354 7.2543438
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.25434382397944
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
288 -2.9871562 7.2543438 7.2543438
|
|
289 -2.9871562 7.2543438 7.2734834
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
289 -2.9871562 7.2543438 7.2734834
|
|
290 -2.9871562 7.2543438 7.3820372
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
290 -2.9871562 7.2543438 7.3820372
|
|
291 -2.9871562 7.2543438 7.264358
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
291 -2.9871562 7.2543438 7.264358
|
|
292 -2.9871562 7.2543438 7.78757
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
292 -2.9871562 7.2543438 7.78757
|
|
293 -2.9871562 7.2543438 7.4421737
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
293 -2.9871562 7.2543438 7.4421737
|
|
294 -2.9871562 7.2543438 7.246116
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.2461159528009
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
294 -2.9871562 7.246116 7.246116
|
|
295 -2.9871562 7.246116 7.2460761
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.24607608971169
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
295 -2.9871562 7.2460761 7.2460761
|
|
296 -2.9871562 7.2460761 7.2466406
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.2466405547445
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
296 -2.9871562 7.2466406 7.2466406
|
|
297 -2.9871562 7.2466406 7.167752
|
|
Loop time of 4.91142e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.16775201171196
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
297 -2.9871562 7.167752 7.167752
|
|
298 -2.9871562 7.167752 7.2186508
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
298 -2.9871562 7.167752 7.2186508
|
|
299 -2.9871562 7.167752 7.2206449
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
299 -2.9871562 7.167752 7.2206449
|
|
300 -2.9871562 7.167752 7.1256351
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.12563507795296
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
300 -2.9871562 7.1256351 7.1256351
|
|
301 -2.9871562 7.1256351 7.1453953
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
301 -2.9871562 7.1256351 7.1453953
|
|
302 -2.9871562 7.1256351 7.1388369
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
302 -2.9871562 7.1256351 7.1388369
|
|
303 -2.9871562 7.1256351 7.1569155
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
303 -2.9871562 7.1256351 7.1569155
|
|
304 -2.9871562 7.1256351 7.1017795
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.10177947448999
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
304 -2.9871562 7.1017795 7.1017795
|
|
305 -2.9871562 7.1017795 7.4624579
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
305 -2.9871562 7.1017795 7.4624579
|
|
306 -2.9871562 7.1017795 7.1805578
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
306 -2.9871562 7.1017795 7.1805578
|
|
307 -2.9871562 7.1017795 7.1028794
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
307 -2.9871562 7.1017795 7.1028794
|
|
308 -2.9871562 7.1017795 7.1079549
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
308 -2.9871562 7.1017795 7.1079549
|
|
309 -2.9871562 7.1017795 7.1085264
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
309 -2.9871562 7.1017795 7.1085264
|
|
310 -2.9871562 7.1017795 7.3359827
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
310 -2.9871562 7.1017795 7.3359827
|
|
311 -2.9871562 7.1017795 7.0977442
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.09774421058079
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
311 -2.9871562 7.0977442 7.0977442
|
|
312 -2.9871562 7.0977442 7.1207981
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
312 -2.9871562 7.0977442 7.1207981
|
|
313 -2.9871562 7.0977442 7.1574358
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
313 -2.9871562 7.0977442 7.1574358
|
|
314 -2.9871562 7.0977442 7.0978773
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.09787730775283
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
314 -2.9871562 7.0978773 7.0978773
|
|
315 -2.9871562 7.0978773 7.0881437
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.08814367482684
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
315 -2.9871562 7.0881437 7.0881437
|
|
316 -2.9871562 7.0881437 7.2563343
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
316 -2.9871562 7.0881437 7.2563343
|
|
317 -2.9871562 7.0881437 7.1178678
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
317 -2.9871562 7.0881437 7.1178678
|
|
318 -2.9871562 7.0881437 7.1320033
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
318 -2.9871562 7.0881437 7.1320033
|
|
319 -2.9871562 7.0881437 7.0900062
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
319 -2.9871562 7.0881437 7.0900062
|
|
320 -2.9871562 7.0881437 7.1033197
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
320 -2.9871562 7.0881437 7.1033197
|
|
321 -2.9871562 7.0881437 7.0935311
|
|
Loop time of 4.48227e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
321 -2.9871562 7.0881437 7.0935311
|
|
322 -2.9871562 7.0881437 7.1705141
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
322 -2.9871562 7.0881437 7.1705141
|
|
323 -2.9871562 7.0881437 7.076951
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.0769509954852
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
323 -2.9871562 7.076951 7.076951
|
|
324 -2.9871562 7.076951 7.0038524
|
|
Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 7.00385238208576
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
324 -2.9871562 7.0038524 7.0038524
|
|
325 -2.9871562 7.0038524 7.1148714
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
325 -2.9871562 7.0038524 7.1148714
|
|
326 -2.9871562 7.0038524 7.7520413
|
|
Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
326 -2.9871562 7.0038524 7.7520413
|
|
327 -2.9871562 7.0038524 7.0548239
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
327 -2.9871562 7.0038524 7.0548239
|
|
328 -2.9871562 7.0038524 7.0225863
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
328 -2.9871562 7.0038524 7.0225863
|
|
329 -2.9871562 7.0038524 7.011866
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
329 -2.9871562 7.0038524 7.011866
|
|
330 -2.9871562 7.0038524 7.0239555
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
330 -2.9871562 7.0038524 7.0239555
|
|
331 -2.9871562 7.0038524 7.0446317
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
331 -2.9871562 7.0038524 7.0446317
|
|
332 -2.9871562 7.0038524 7.1463513
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
332 -2.9871562 7.0038524 7.1463513
|
|
333 -2.9871562 7.0038524 7.2078039
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
333 -2.9871562 7.0038524 7.2078039
|
|
334 -2.9871562 7.0038524 7.2724691
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
334 -2.9871562 7.0038524 7.2724691
|
|
335 -2.9871562 7.0038524 7.0605868
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
335 -2.9871562 7.0038524 7.0605868
|
|
336 -2.9871562 7.0038524 6.9570718
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 6.95707183153569
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
336 -2.9871562 6.9570718 6.9570718
|
|
337 -2.9871562 6.9570718 6.9616812
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
337 -2.9871562 6.9570718 6.9616812
|
|
338 -2.9871562 6.9570718 7.0733719
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
338 -2.9871562 6.9570718 7.0733719
|
|
339 -2.9871562 6.9570718 6.8707295
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 6.87072947276738
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
339 -2.9871562 6.8707295 6.8707295
|
|
340 -2.9871562 6.8707295 6.9936487
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
340 -2.9871562 6.8707295 6.9936487
|
|
341 -2.9871562 6.8707295 6.9415415
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
341 -2.9871562 6.8707295 6.9415415
|
|
342 -2.9871562 6.8707295 6.938745
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
342 -2.9871562 6.8707295 6.938745
|
|
343 -2.9871562 6.8707295 7.4144286
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
343 -2.9871562 6.8707295 7.4144286
|
|
344 -2.9871562 6.8707295 6.8773558
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
344 -2.9871562 6.8707295 6.8773558
|
|
345 -2.9871562 6.8707295 6.8689245
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 6.86892452306218
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
345 -2.9871562 6.8689245 6.8689245
|
|
346 -2.9871562 6.8689245 6.8680319
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 6.8680319498598
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
346 -2.9871562 6.8680319 6.8680319
|
|
347 -2.9871562 6.8680319 6.8973529
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
347 -2.9871562 6.8680319 6.8973529
|
|
348 -2.9871562 6.8680319 6.9181025
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
348 -2.9871562 6.8680319 6.9181025
|
|
349 -2.9871562 6.8680319 6.8761405
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
349 -2.9871562 6.8680319 6.8761405
|
|
350 -2.9871562 6.8680319 6.1857408
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 6.18574077231652
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
350 -2.9871562 6.1857408 6.1857408
|
|
351 -2.9871562 6.1857408 6.3918776
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
351 -2.9871562 6.1857408 6.3918776
|
|
352 -2.9871562 6.1857408 6.1968853
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
352 -2.9871562 6.1857408 6.1968853
|
|
353 -2.9871562 6.1857408 6.2662585
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
353 -2.9871562 6.1857408 6.2662585
|
|
354 -2.9871562 6.1857408 5.6604027
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 5.66040273125994
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
354 -2.9871562 5.6604027 5.6604027
|
|
355 -2.9871562 5.6604027 5.7316794
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
355 -2.9871562 5.6604027 5.7316794
|
|
356 -2.9871562 5.6604027 5.6495666
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 5.64956661849867
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
356 -2.9871562 5.6495666 5.6495666
|
|
357 -2.9871562 5.6495666 5.6669907
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
357 -2.9871562 5.6495666 5.6669907
|
|
358 -2.9871562 5.6495666 5.9065444
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
358 -2.9871562 5.6495666 5.9065444
|
|
359 -2.9871562 5.6495666 6.0187949
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
359 -2.9871562 5.6495666 6.0187949
|
|
360 -2.9871562 5.6495666 5.7014481
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
360 -2.9871562 5.6495666 5.7014481
|
|
361 -2.9871562 5.6495666 5.6965277
|
|
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
361 -2.9871562 5.6495666 5.6965277
|
|
362 -2.9871562 5.6495666 5.7001728
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
362 -2.9871562 5.6495666 5.7001728
|
|
363 -2.9871562 5.6495666 5.6529965
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
363 -2.9871562 5.6495666 5.6529965
|
|
364 -2.9871562 5.6495666 5.689041
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
364 -2.9871562 5.6495666 5.689041
|
|
365 -2.9871562 5.6495666 5.6748857
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
365 -2.9871562 5.6495666 5.6748857
|
|
366 -2.9871562 5.6495666 5.819752
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
366 -2.9871562 5.6495666 5.819752
|
|
367 -2.9871562 5.6495666 5.6480822
|
|
Loop time of 0.012898 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 5.64808219809132
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
367 -2.9871562 5.6480822 5.6480822
|
|
368 -2.9871562 5.6480822 5.6555953
|
|
Loop time of 4.3869e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
368 -2.9871562 5.6480822 5.6555953
|
|
369 -2.9871562 5.6480822 5.6367615
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 5.63676146530801
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
369 -2.9871562 5.6367615 5.6367615
|
|
370 -2.9871562 5.6367615 5.6404446
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
370 -2.9871562 5.6367615 5.6404446
|
|
371 -2.9871562 5.6367615 5.7068049
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
371 -2.9871562 5.6367615 5.7068049
|
|
372 -2.9871562 5.6367615 5.6427525
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
372 -2.9871562 5.6367615 5.6427525
|
|
373 -2.9871562 5.6367615 5.6601089
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
373 -2.9871562 5.6367615 5.6601089
|
|
374 -2.9871562 5.6367615 5.637624
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
374 -2.9871562 5.6367615 5.637624
|
|
375 -2.9871562 5.6367615 5.6383613
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
375 -2.9871562 5.6367615 5.6383613
|
|
376 -2.9871562 5.6367615 6.3023911
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
376 -2.9871562 5.6367615 6.3023911
|
|
377 -2.9871562 5.6367615 5.6236892
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 5.62368921094677
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
377 -2.9871562 5.6236892 5.6236892
|
|
378 -2.9871562 5.6236892 5.8784699
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
378 -2.9871562 5.6236892 5.8784699
|
|
379 -2.9871562 5.6236892 5.6532239
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
379 -2.9871562 5.6236892 5.6532239
|
|
380 -2.9871562 5.6236892 5.6307542
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
380 -2.9871562 5.6236892 5.6307542
|
|
381 -2.9871562 5.6236892 5.7960472
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
381 -2.9871562 5.6236892 5.7960472
|
|
382 -2.9871562 5.6236892 5.6263323
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
382 -2.9871562 5.6236892 5.6263323
|
|
383 -2.9871562 5.6236892 5.6326754
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
383 -2.9871562 5.6236892 5.6326754
|
|
384 -2.9871562 5.6236892 5.8288391
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
384 -2.9871562 5.6236892 5.8288391
|
|
385 -2.9871562 5.6236892 8.8498273
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
385 -2.9871562 5.6236892 8.8498273
|
|
386 -2.9871562 5.6236892 5.6500993
|
|
Loop time of 5.10216e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
386 -2.9871562 5.6236892 5.6500993
|
|
387 -2.9871562 5.6236892 5.6539947
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
387 -2.9871562 5.6236892 5.6539947
|
|
388 -2.9871562 5.6236892 5.6082964
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 5.60829640137186
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
388 -2.9871562 5.6082964 5.6082964
|
|
389 -2.9871562 5.6082964 4.1503604
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 4.15036044024207
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
389 -2.9871562 4.1503604 4.1503604
|
|
390 -2.9871562 4.1503604 4.1348032
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 4.13480321325807
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
390 -2.9871562 4.1348032 4.1348032
|
|
391 -2.9871562 4.1348032 7.1737971
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
391 -2.9871562 4.1348032 7.1737971
|
|
392 -2.9871562 4.1348032 4.0933925
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 4.09339246739245
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
392 -2.9871562 4.0933925 4.0933925
|
|
393 -2.9871562 4.0933925 4.0778327
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 4.07783273968703
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
393 -2.9871562 4.0778327 4.0778327
|
|
394 -2.9871562 4.0778327 4.1133492
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
394 -2.9871562 4.0778327 4.1133492
|
|
395 -2.9871562 4.0778327 6.3050945
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
395 -2.9871562 4.0778327 6.3050945
|
|
396 -2.9871562 4.0778327 4.0210235
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 4.02102347453105
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
396 -2.9871562 4.0210235 4.0210235
|
|
397 -2.9871562 4.0210235 4.0464936
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
397 -2.9871562 4.0210235 4.0464936
|
|
398 -2.9871562 4.0210235 4.0314127
|
|
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
398 -2.9871562 4.0210235 4.0314127
|
|
399 -2.9871562 4.0210235 4.0693148
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
399 -2.9871562 4.0210235 4.0693148
|
|
400 -2.9871562 4.0210235 4.0210881
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 4.02108810401389
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
400 -2.9871562 4.0210881 4.0210881
|
|
401 -2.9871562 4.0210881 4.5348039
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
401 -2.9871562 4.0210881 4.5348039
|
|
402 -2.9871562 4.0210881 4.0340663
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
402 -2.9871562 4.0210881 4.0340663
|
|
403 -2.9871562 4.0210881 4.0150819
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 4.01508193425852
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
403 -2.9871562 4.0150819 4.0150819
|
|
404 -2.9871562 4.0150819 4.0175644
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
404 -2.9871562 4.0150819 4.0175644
|
|
405 -2.9871562 4.0150819 4.0329056
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
405 -2.9871562 4.0150819 4.0329056
|
|
406 -2.9871562 4.0150819 4.0374781
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
406 -2.9871562 4.0150819 4.0374781
|
|
407 -2.9871562 4.0150819 4.0474192
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
407 -2.9871562 4.0150819 4.0474192
|
|
408 -2.9871562 4.0150819 4.2543261
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
408 -2.9871562 4.0150819 4.2543261
|
|
409 -2.9871562 4.0150819 4.0258873
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
409 -2.9871562 4.0150819 4.0258873
|
|
410 -2.9871562 4.0150819 4.0171146
|
|
Loop time of 8.29697e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
410 -2.9871562 4.0150819 4.0171146
|
|
411 -2.9871562 4.0150819 4.0130155
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 4.01301546227236
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
411 -2.9871562 4.0130155 4.0130155
|
|
412 -2.9871562 4.0130155 4.0226171
|
|
Loop time of 0.0128262 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
412 -2.9871562 4.0130155 4.0226171
|
|
413 -2.9871562 4.0130155 3.9539625
|
|
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 3.95396250845061
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
413 -2.9871562 3.9539625 3.9539625
|
|
414 -2.9871562 3.9539625 3.9706224
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
414 -2.9871562 3.9539625 3.9706224
|
|
415 -2.9871562 3.9539625 3.832185
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 3.83218499843807
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
415 -2.9871562 3.832185 3.832185
|
|
416 -2.9871562 3.832185 3.8981201
|
|
Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
416 -2.9871562 3.832185 3.8981201
|
|
417 -2.9871562 3.832185 3.8323665
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
417 -2.9871562 3.832185 3.8323665
|
|
418 -2.9871562 3.832185 3.8989089
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
418 -2.9871562 3.832185 3.8989089
|
|
419 -2.9871562 3.832185 3.830663
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 3.83066304428505
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
419 -2.9871562 3.830663 3.830663
|
|
420 -2.9871562 3.830663 3.8976345
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
420 -2.9871562 3.830663 3.8976345
|
|
421 -2.9871562 3.830663 3.9174665
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
421 -2.9871562 3.830663 3.9174665
|
|
422 -2.9871562 3.830663 3.8180804
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 3.81808037537894
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
422 -2.9871562 3.8180804 3.8180804
|
|
423 -2.9871562 3.8180804 3.8347675
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
423 -2.9871562 3.8180804 3.8347675
|
|
424 -2.9871562 3.8180804 3.9904468
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
424 -2.9871562 3.8180804 3.9904468
|
|
425 -2.9871562 3.8180804 3.9469504
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
425 -2.9871562 3.8180804 3.9469504
|
|
426 -2.9871562 3.8180804 3.8222485
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
426 -2.9871562 3.8180804 3.8222485
|
|
427 -2.9871562 3.8180804 3.5186995
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 3.5186995416565
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
427 -2.9871562 3.5186995 3.5186995
|
|
428 -2.9871562 3.5186995 3.5778695
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
428 -2.9871562 3.5186995 3.5778695
|
|
429 -2.9871562 3.5186995 3.5825843
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
429 -2.9871562 3.5186995 3.5825843
|
|
430 -2.9871562 3.5186995 3.5214593
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
430 -2.9871562 3.5186995 3.5214593
|
|
431 -2.9871562 3.5186995 3.5415203
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
431 -2.9871562 3.5186995 3.5415203
|
|
432 -2.9871562 3.5186995 3.5158439
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 3.51584386484622
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
432 -2.9871562 3.5158439 3.5158439
|
|
433 -2.9871562 3.5158439 3.6642463
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
433 -2.9871562 3.5158439 3.6642463
|
|
434 -2.9871562 3.5158439 7.9306926
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
434 -2.9871562 3.5158439 7.9306926
|
|
435 -2.9871562 3.5158439 4.0891511
|
|
Loop time of 8.51154e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
435 -2.9871562 3.5158439 4.0891511
|
|
436 -2.9871562 3.5158439 3.5268324
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
436 -2.9871562 3.5158439 3.5268324
|
|
437 -2.9871562 3.5158439 3.5065068
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 3.50650682975645
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
437 -2.9871562 3.5065068 3.5065068
|
|
438 -2.9871562 3.5065068 3.4569935
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 3.45699346363692
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
438 -2.9871562 3.4569935 3.4569935
|
|
439 -2.9871562 3.4569935 3.0678894
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 3.06788935518192
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
439 -2.9871562 3.0678894 3.0678894
|
|
440 -2.9871562 3.0678894 3.0729696
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
440 -2.9871562 3.0678894 3.0729696
|
|
441 -2.9871562 3.0678894 3.1741476
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
441 -2.9871562 3.0678894 3.1741476
|
|
442 -2.9871562 3.0678894 3.1078681
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
442 -2.9871562 3.0678894 3.1078681
|
|
443 -2.9871562 3.0678894 3.074176
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
443 -2.9871562 3.0678894 3.074176
|
|
444 -2.9871562 3.0678894 3.040713
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 3.04071295229983
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
444 -2.9871562 3.040713 3.040713
|
|
445 -2.9871562 3.040713 3.0359739
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 3.03597388567428
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
445 -2.9871562 3.0359739 3.0359739
|
|
446 -2.9871562 3.0359739 3.0916925
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
446 -2.9871562 3.0359739 3.0916925
|
|
447 -2.9871562 3.0359739 3.0399893
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
447 -2.9871562 3.0359739 3.0399893
|
|
448 -2.9871562 3.0359739 3.0552946
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
448 -2.9871562 3.0359739 3.0552946
|
|
449 -2.9871562 3.0359739 2.8775202
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.87752018026573
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
449 -2.9871562 2.8775202 2.8775202
|
|
450 -2.9871562 2.8775202 2.8802041
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
450 -2.9871562 2.8775202 2.8802041
|
|
451 -2.9871562 2.8775202 3.2363575
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
451 -2.9871562 2.8775202 3.2363575
|
|
452 -2.9871562 2.8775202 2.8764009
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.87640088651833
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
452 -2.9871562 2.8764009 2.8764009
|
|
453 -2.9871562 2.8764009 2.8882877
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
453 -2.9871562 2.8764009 2.8882877
|
|
454 -2.9871562 2.8764009 2.5080194
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.50801943608423
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
454 -2.9871562 2.5080194 2.5080194
|
|
455 -2.9871562 2.5080194 2.506997
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.50699703558281
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
455 -2.9871562 2.506997 2.506997
|
|
456 -2.9871562 2.506997 2.4912386
|
|
Loop time of 9.799e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.49123857505978
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
456 -2.9871562 2.4912386 2.4912386
|
|
457 -2.9871562 2.4912386 2.4433535
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.44335352474245
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
457 -2.9871562 2.4433535 2.4433535
|
|
458 -2.9871562 2.4433535 2.4768423
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
458 -2.9871562 2.4433535 2.4768423
|
|
459 -2.9871562 2.4433535 2.5353966
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
459 -2.9871562 2.4433535 2.5353966
|
|
460 -2.9871562 2.4433535 2.5432683
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
460 -2.9871562 2.4433535 2.5432683
|
|
461 -2.9871562 2.4433535 2.5424424
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
461 -2.9871562 2.4433535 2.5424424
|
|
462 -2.9871562 2.4433535 2.4490193
|
|
Loop time of 8.08239e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
462 -2.9871562 2.4433535 2.4490193
|
|
463 -2.9871562 2.4433535 2.4467497
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
463 -2.9871562 2.4433535 2.4467497
|
|
464 -2.9871562 2.4433535 2.4374015
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.43740149434974
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
464 -2.9871562 2.4374015 2.4374015
|
|
465 -2.9871562 2.4374015 2.4289281
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.42892814780119
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
465 -2.9871562 2.4289281 2.4289281
|
|
466 -2.9871562 2.4289281 2.4979388
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
466 -2.9871562 2.4289281 2.4979388
|
|
467 -2.9871562 2.4289281 2.4927431
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
467 -2.9871562 2.4289281 2.4927431
|
|
468 -2.9871562 2.4289281 2.6182369
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
468 -2.9871562 2.4289281 2.6182369
|
|
469 -2.9871562 2.4289281 2.4253158
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.42531576130383
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
469 -2.9871562 2.4253158 2.4253158
|
|
470 -2.9871562 2.4253158 2.4191553
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.41915531324092
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
470 -2.9871562 2.4191553 2.4191553
|
|
471 -2.9871562 2.4191553 2.4565423
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
471 -2.9871562 2.4191553 2.4565423
|
|
472 -2.9871562 2.4191553 2.4170675
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.41706748649067
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
472 -2.9871562 2.4170675 2.4170675
|
|
473 -2.9871562 2.4170675 2.4324178
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
473 -2.9871562 2.4170675 2.4324178
|
|
474 -2.9871562 2.4170675 2.437604
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
474 -2.9871562 2.4170675 2.437604
|
|
475 -2.9871562 2.4170675 2.4272809
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
475 -2.9871562 2.4170675 2.4272809
|
|
476 -2.9871562 2.4170675 2.5555548
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
476 -2.9871562 2.4170675 2.5555548
|
|
477 -2.9871562 2.4170675 2.3559425
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.35594246568686
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
477 -2.9871562 2.3559425 2.3559425
|
|
478 -2.9871562 2.3559425 2.455786
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
478 -2.9871562 2.3559425 2.455786
|
|
479 -2.9871562 2.3559425 2.353866
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.35386600759151
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
479 -2.9871562 2.353866 2.353866
|
|
480 -2.9871562 2.353866 2.3861352
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
480 -2.9871562 2.353866 2.3861352
|
|
481 -2.9871562 2.353866 2.3796741
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
481 -2.9871562 2.353866 2.3796741
|
|
482 -2.9871562 2.353866 2.3505433
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.3505433429691
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
482 -2.9871562 2.3505433 2.3505433
|
|
483 -2.9871562 2.3505433 2.3513375
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
483 -2.9871562 2.3505433 2.3513375
|
|
484 -2.9871562 2.3505433 2.3745767
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
484 -2.9871562 2.3505433 2.3745767
|
|
485 -2.9871562 2.3505433 2.2652995
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.26529945970901
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
485 -2.9871562 2.2652995 2.2652995
|
|
486 -2.9871562 2.2652995 2.2941586
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
486 -2.9871562 2.2652995 2.2941586
|
|
487 -2.9871562 2.2652995 2.2849033
|
|
Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
487 -2.9871562 2.2652995 2.2849033
|
|
488 -2.9871562 2.2652995 2.2549626
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.25496255523041
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
488 -2.9871562 2.2549626 2.2549626
|
|
489 -2.9871562 2.2549626 2.337486
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
489 -2.9871562 2.2549626 2.337486
|
|
490 -2.9871562 2.2549626 2.3715655
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
490 -2.9871562 2.2549626 2.3715655
|
|
491 -2.9871562 2.2549626 2.2417343
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.2417343251991
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
491 -2.9871562 2.2417343 2.2417343
|
|
492 -2.9871562 2.2417343 2.2324772
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.23247720376366
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
492 -2.9871562 2.2324772 2.2324772
|
|
493 -2.9871562 2.2324772 2.2475613
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
493 -2.9871562 2.2324772 2.2475613
|
|
494 -2.9871562 2.2324772 2.2571235
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
494 -2.9871562 2.2324772 2.2571235
|
|
495 -2.9871562 2.2324772 2.1324383
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.13243828387181
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
495 -2.9871562 2.1324383 2.1324383
|
|
496 -2.9871562 2.1324383 2.1373912
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
496 -2.9871562 2.1324383 2.1373912
|
|
497 -2.9871562 2.1324383 2.1358367
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
497 -2.9871562 2.1324383 2.1358367
|
|
498 -2.9871562 2.1324383 2.1941442
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
498 -2.9871562 2.1324383 2.1941442
|
|
499 -2.9871562 2.1324383 2.1310312
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.13103119075133
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
499 -2.9871562 2.1310312 2.1310312
|
|
500 -2.9871562 2.1310312 2.1405207
|
|
Loop time of 9.70364e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
500 -2.9871562 2.1310312 2.1405207
|
|
501 -2.9871562 2.1310312 2.1281493
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.1281492666418
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
501 -2.9871562 2.1281493 2.1281493
|
|
502 -2.9871562 2.1281493 2.1254587
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.12545869500971
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
502 -2.9871562 2.1254587 2.1254587
|
|
503 -2.9871562 2.1254587 2.1317423
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
503 -2.9871562 2.1254587 2.1317423
|
|
504 -2.9871562 2.1254587 2.0648723
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.06487230127373
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
504 -2.9871562 2.0648723 2.0648723
|
|
505 -2.9871562 2.0648723 2.0953438
|
|
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
505 -2.9871562 2.0648723 2.0953438
|
|
506 -2.9871562 2.0648723 2.0881344
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
506 -2.9871562 2.0648723 2.0881344
|
|
507 -2.9871562 2.0648723 2.0605559
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.06055592662212
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
507 -2.9871562 2.0605559 2.0605559
|
|
508 -2.9871562 2.0605559 2.0637666
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
508 -2.9871562 2.0605559 2.0637666
|
|
509 -2.9871562 2.0605559 2.0995462
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
509 -2.9871562 2.0605559 2.0995462
|
|
510 -2.9871562 2.0605559 2.058641
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 2.05864098223123
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
510 -2.9871562 2.058641 2.058641
|
|
511 -2.9871562 2.058641 1.9962866
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 1.99628659401311
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
511 -2.9871562 1.9962866 1.9962866
|
|
512 -2.9871562 1.9962866 2.0177427
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
512 -2.9871562 1.9962866 2.0177427
|
|
513 -2.9871562 1.9962866 2.1426572
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
513 -2.9871562 1.9962866 2.1426572
|
|
514 -2.9871562 1.9962866 2.0612897
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
514 -2.9871562 1.9962866 2.0612897
|
|
515 -2.9871562 1.9962866 1.3610256
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 1.36102556226203
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
515 -2.9871562 1.3610256 1.3610256
|
|
516 -2.9871562 1.3610256 1.3006076
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 1.30060762376766
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
516 -2.9871562 1.3006076 1.3006076
|
|
517 -2.9871562 1.3006076 1.3225457
|
|
Loop time of 5.10216e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
517 -2.9871562 1.3006076 1.3225457
|
|
518 -2.9871562 1.3006076 1.3119304
|
|
Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
518 -2.9871562 1.3006076 1.3119304
|
|
519 -2.9871562 1.3006076 1.27015
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 1.27014999078219
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
519 -2.9871562 1.27015 1.27015
|
|
520 -2.9871562 1.27015 1.2951331
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
520 -2.9871562 1.27015 1.2951331
|
|
521 -2.9871562 1.27015 1.353444
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
521 -2.9871562 1.27015 1.353444
|
|
522 -2.9871562 1.27015 1.2539474
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 1.25394738142558
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
522 -2.9871562 1.2539474 1.2539474
|
|
523 -2.9871562 1.2539474 1.3041698
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
523 -2.9871562 1.2539474 1.3041698
|
|
524 -2.9871562 1.2539474 1.3829411
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
524 -2.9871562 1.2539474 1.3829411
|
|
525 -2.9871562 1.2539474 1.3809528
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
525 -2.9871562 1.2539474 1.3809528
|
|
526 -2.9871562 1.2539474 1.2679474
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
526 -2.9871562 1.2539474 1.2679474
|
|
527 -2.9871562 1.2539474 1.237798
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 1.23779803347668
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
527 -2.9871562 1.237798 1.237798
|
|
528 -2.9871562 1.237798 1.2316925
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 1.23169245272984
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
528 -2.9871562 1.2316925 1.2316925
|
|
529 -2.9871562 1.2316925 1.3400701
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
529 -2.9871562 1.2316925 1.3400701
|
|
530 -2.9871562 1.2316925 1.2391274
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
530 -2.9871562 1.2316925 1.2391274
|
|
531 -2.9871562 1.2316925 0.9960151
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.996015097979926
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
531 -2.9871562 0.9960151 0.9960151
|
|
532 -2.9871562 0.9960151 1.3853184
|
|
Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
532 -2.9871562 0.9960151 1.3853184
|
|
533 -2.9871562 0.9960151 1.004577
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
533 -2.9871562 0.9960151 1.004577
|
|
534 -2.9871562 0.9960151 0.99798204
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
534 -2.9871562 0.9960151 0.99798204
|
|
535 -2.9871562 0.9960151 0.95303384
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.953033839694399
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
535 -2.9871562 0.95303384 0.95303384
|
|
536 -2.9871562 0.95303384 0.89554975
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.895549745379469
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
536 -2.9871562 0.89554975 0.89554975
|
|
537 -2.9871562 0.89554975 0.82891132
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.828911315452624
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
537 -2.9871562 0.82891132 0.82891132
|
|
538 -2.9871562 0.82891132 0.87032647
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
538 -2.9871562 0.82891132 0.87032647
|
|
539 -2.9871562 0.82891132 0.81382492
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.813824916271986
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
539 -2.9871562 0.81382492 0.81382492
|
|
540 -2.9871562 0.81382492 0.81505628
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
540 -2.9871562 0.81382492 0.81505628
|
|
541 -2.9871562 0.81382492 0.71942083
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.719420831105916
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
541 -2.9871562 0.71942083 0.71942083
|
|
542 -2.9871562 0.71942083 0.71512659
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.715126589054811
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
542 -2.9871562 0.71512659 0.71512659
|
|
543 -2.9871562 0.71512659 0.79165342
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
543 -2.9871562 0.71512659 0.79165342
|
|
544 -2.9871562 0.71512659 0.7342999
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
544 -2.9871562 0.71512659 0.7342999
|
|
545 -2.9871562 0.71512659 0.71890784
|
|
Loop time of 9.799e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
545 -2.9871562 0.71512659 0.71890784
|
|
546 -2.9871562 0.71512659 0.72350411
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
546 -2.9871562 0.71512659 0.72350411
|
|
547 -2.9871562 0.71512659 0.72537548
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
547 -2.9871562 0.71512659 0.72537548
|
|
548 -2.9871562 0.71512659 0.73472057
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
548 -2.9871562 0.71512659 0.73472057
|
|
549 -2.9871562 0.71512659 0.74853
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
549 -2.9871562 0.71512659 0.74853
|
|
550 -2.9871562 0.71512659 0.79704244
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
550 -2.9871562 0.71512659 0.79704244
|
|
551 -2.9871562 0.71512659 0.6866396
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.68663959599681
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
551 -2.9871562 0.6866396 0.6866396
|
|
552 -2.9871562 0.6866396 0.80438414
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
552 -2.9871562 0.6866396 0.80438414
|
|
553 -2.9871562 0.6866396 0.69068344
|
|
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
553 -2.9871562 0.6866396 0.69068344
|
|
554 -2.9871562 0.6866396 0.72181177
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
554 -2.9871562 0.6866396 0.72181177
|
|
555 -2.9871562 0.6866396 0.64112036
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.641120359513701
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
555 -2.9871562 0.64112036 0.64112036
|
|
556 -2.9871562 0.64112036 0.66987108
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
556 -2.9871562 0.64112036 0.66987108
|
|
557 -2.9871562 0.64112036 0.6066946
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.606694600281462
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
557 -2.9871562 0.6066946 0.6066946
|
|
558 -2.9871562 0.6066946 0.63284899
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
558 -2.9871562 0.6066946 0.63284899
|
|
559 -2.9871562 0.6066946 0.60382239
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.603822385530907
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
559 -2.9871562 0.60382239 0.60382239
|
|
560 -2.9871562 0.60382239 0.66066444
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
560 -2.9871562 0.60382239 0.66066444
|
|
561 -2.9871562 0.60382239 0.6254059
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
561 -2.9871562 0.60382239 0.6254059
|
|
562 -2.9871562 0.60382239 0.59892962
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.598929615256625
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
562 -2.9871562 0.59892962 0.59892962
|
|
563 -2.9871562 0.59892962 0.59301416
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.593014156504927
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
563 -2.9871562 0.59301416 0.59301416
|
|
564 -2.9871562 0.59301416 0.59787865
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
564 -2.9871562 0.59301416 0.59787865
|
|
565 -2.9871562 0.59301416 0.59954537
|
|
Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
565 -2.9871562 0.59301416 0.59954537
|
|
566 -2.9871562 0.59301416 0.63299585
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
566 -2.9871562 0.59301416 0.63299585
|
|
567 -2.9871562 0.59301416 0.61774849
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
567 -2.9871562 0.59301416 0.61774849
|
|
568 -2.9871562 0.59301416 0.63319504
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
568 -2.9871562 0.59301416 0.63319504
|
|
569 -2.9871562 0.59301416 0.60012887
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
569 -2.9871562 0.59301416 0.60012887
|
|
570 -2.9871562 0.59301416 0.62792096
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
570 -2.9871562 0.59301416 0.62792096
|
|
571 -2.9871562 0.59301416 0.58077671
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.580776711581595
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
571 -2.9871562 0.58077671 0.58077671
|
|
572 -2.9871562 0.58077671 0.5892475
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
572 -2.9871562 0.58077671 0.5892475
|
|
573 -2.9871562 0.58077671 0.59144894
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
573 -2.9871562 0.58077671 0.59144894
|
|
574 -2.9871562 0.58077671 0.76630503
|
|
Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
574 -2.9871562 0.58077671 0.76630503
|
|
575 -2.9871562 0.58077671 0.59983745
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
575 -2.9871562 0.58077671 0.59983745
|
|
576 -2.9871562 0.58077671 0.61272383
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
576 -2.9871562 0.58077671 0.61272383
|
|
577 -2.9871562 0.58077671 0.59651898
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
577 -2.9871562 0.58077671 0.59651898
|
|
578 -2.9871562 0.58077671 0.52213944
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.522139437027096
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
578 -2.9871562 0.52213944 0.52213944
|
|
579 -2.9871562 0.52213944 0.52204073
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.522040730827609
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
579 -2.9871562 0.52204073 0.52204073
|
|
580 -2.9871562 0.52204073 0.51589702
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.515897015219151
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
580 -2.9871562 0.51589702 0.51589702
|
|
581 -2.9871562 0.51589702 0.5176398
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
581 -2.9871562 0.51589702 0.5176398
|
|
582 -2.9871562 0.51589702 0.60224022
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
582 -2.9871562 0.51589702 0.60224022
|
|
583 -2.9871562 0.51589702 0.13592826
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.135928256121204
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
583 -2.9871562 0.13592826 0.13592826
|
|
584 -2.9871562 0.13592826 0.13352119
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.133521191383781
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
584 -2.9871562 0.13352119 0.13352119
|
|
585 -2.9871562 0.13352119 0.15100546
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
585 -2.9871562 0.13352119 0.15100546
|
|
586 -2.9871562 0.13352119 0.13447162
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
586 -2.9871562 0.13352119 0.13447162
|
|
587 -2.9871562 0.13352119 0.12712676
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.127126758294067
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
587 -2.9871562 0.12712676 0.12712676
|
|
588 -2.9871562 0.12712676 0.16062652
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
588 -2.9871562 0.12712676 0.16062652
|
|
589 -2.9871562 0.12712676 0.3182986
|
|
Loop time of 0.000108004 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
589 -2.9871562 0.12712676 0.3182986
|
|
590 -2.9871562 0.12712676 0.13672365
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
590 -2.9871562 0.12712676 0.13672365
|
|
591 -2.9871562 0.12712676 0.21489227
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
591 -2.9871562 0.12712676 0.21489227
|
|
592 -2.9871562 0.12712676 0.11626722
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.116267222116635
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
592 -2.9871562 0.11626722 0.11626722
|
|
593 -2.9871562 0.11626722 0.1343249
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
593 -2.9871562 0.11626722 0.1343249
|
|
594 -2.9871562 0.11626722 0.17819944
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
594 -2.9871562 0.11626722 0.17819944
|
|
595 -2.9871562 0.11626722 0.23161861
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
595 -2.9871562 0.11626722 0.23161861
|
|
596 -2.9871562 0.11626722 0.080107142
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.0801071417801899
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
596 -2.9871562 0.080107142 0.080107142
|
|
597 -2.9871562 0.080107142 0.090339836
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
597 -2.9871562 0.080107142 0.090339836
|
|
598 -2.9871562 0.080107142 0.089152857
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
598 -2.9871562 0.080107142 0.089152857
|
|
599 -2.9871562 0.080107142 0.15092254
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
599 -2.9871562 0.080107142 0.15092254
|
|
600 -2.9871562 0.080107142 0.086007968
|
|
Loop time of 5.19753e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
600 -2.9871562 0.080107142 0.086007968
|
|
601 -2.9871562 0.080107142 0.096330942
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
601 -2.9871562 0.080107142 0.096330942
|
|
602 -2.9871562 0.080107142 0.089462198
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
602 -2.9871562 0.080107142 0.089462198
|
|
603 -2.9871562 0.080107142 0.064504465
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.0645044653334001
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
603 -2.9871562 0.064504465 0.064504465
|
|
604 -2.9871562 0.064504465 0.098809174
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
604 -2.9871562 0.064504465 0.098809174
|
|
605 -2.9871562 0.064504465 0.15908772
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
605 -2.9871562 0.064504465 0.15908772
|
|
606 -2.9871562 0.064504465 0.064483469
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.0644834689412352
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
606 -2.9871562 0.064483469 0.064483469
|
|
607 -2.9871562 0.064483469 0.048526282
|
|
Loop time of 8.08239e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal 0.0485262820301611
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
607 -2.9871562 0.048526282 0.048526282
|
|
608 -2.9871562 0.048526282 -0.31654203
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.316542027652718
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
608 -2.9871562 -0.31654203 -0.31654203
|
|
609 -2.9871562 -0.31654203 -0.29255107
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
609 -2.9871562 -0.31654203 -0.29255107
|
|
610 -2.9871562 -0.31654203 -0.28707834
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
610 -2.9871562 -0.31654203 -0.28707834
|
|
611 -2.9871562 -0.31654203 -0.16009743
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
611 -2.9871562 -0.31654203 -0.16009743
|
|
612 -2.9871562 -0.31654203 -0.32015399
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.320153988261906
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
612 -2.9871562 -0.32015399 -0.32015399
|
|
613 -2.9871562 -0.32015399 -0.24172957
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
613 -2.9871562 -0.32015399 -0.24172957
|
|
614 -2.9871562 -0.32015399 -0.29893638
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
614 -2.9871562 -0.32015399 -0.29893638
|
|
615 -2.9871562 -0.32015399 -0.30915961
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
615 -2.9871562 -0.32015399 -0.30915961
|
|
616 -2.9871562 -0.32015399 -0.31682559
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
616 -2.9871562 -0.32015399 -0.31682559
|
|
617 -2.9871562 -0.32015399 -0.26985917
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
617 -2.9871562 -0.32015399 -0.26985917
|
|
618 -2.9871562 -0.32015399 -0.30509815
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
618 -2.9871562 -0.32015399 -0.30509815
|
|
619 -2.9871562 -0.32015399 -0.29230638
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
619 -2.9871562 -0.32015399 -0.29230638
|
|
620 -2.9871562 -0.32015399 -0.30650489
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
620 -2.9871562 -0.32015399 -0.30650489
|
|
621 -2.9871562 -0.32015399 -0.27759938
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
621 -2.9871562 -0.32015399 -0.27759938
|
|
622 -2.9871562 -0.32015399 0.041688376
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
622 -2.9871562 -0.32015399 0.041688376
|
|
623 -2.9871562 -0.32015399 -0.32452854
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.324528538455914
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
623 -2.9871562 -0.32452854 -0.32452854
|
|
624 -2.9871562 -0.32452854 -0.33586316
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.335863162274943
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
624 -2.9871562 -0.33586316 -0.33586316
|
|
625 -2.9871562 -0.33586316 -0.34047761
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.340477614251395
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
625 -2.9871562 -0.34047761 -0.34047761
|
|
626 -2.9871562 -0.34047761 -0.34777023
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.347770230415983
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
626 -2.9871562 -0.34777023 -0.34777023
|
|
627 -2.9871562 -0.34777023 -0.3078665
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
627 -2.9871562 -0.34777023 -0.3078665
|
|
628 -2.9871562 -0.34777023 -0.3255132
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
628 -2.9871562 -0.34777023 -0.3255132
|
|
629 -2.9871562 -0.34777023 -0.36270701
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.362707011328923
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
629 -2.9871562 -0.36270701 -0.36270701
|
|
630 -2.9871562 -0.36270701 -0.30697428
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
630 -2.9871562 -0.36270701 -0.30697428
|
|
631 -2.9871562 -0.36270701 -0.35941259
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
631 -2.9871562 -0.36270701 -0.35941259
|
|
632 -2.9871562 -0.36270701 -0.34161127
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
632 -2.9871562 -0.36270701 -0.34161127
|
|
633 -2.9871562 -0.36270701 -0.42272426
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.422724264204413
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
633 -2.9871562 -0.42272426 -0.42272426
|
|
634 -2.9871562 -0.42272426 -0.39141487
|
|
Loop time of 9.799e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
634 -2.9871562 -0.42272426 -0.39141487
|
|
635 -2.9871562 -0.42272426 -0.43241824
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.432418238439362
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
635 -2.9871562 -0.43241824 -0.43241824
|
|
636 -2.9871562 -0.43241824 0.083422827
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
636 -2.9871562 -0.43241824 0.083422827
|
|
637 -2.9871562 -0.43241824 -0.43252691
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.432526908965916
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
637 -2.9871562 -0.43252691 -0.43252691
|
|
638 -2.9871562 -0.43252691 -0.38367637
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
638 -2.9871562 -0.43252691 -0.38367637
|
|
639 -2.9871562 -0.43252691 -0.41531459
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
639 -2.9871562 -0.43252691 -0.41531459
|
|
640 -2.9871562 -0.43252691 -0.44251923
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.442519227592348
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
640 -2.9871562 -0.44251923 -0.44251923
|
|
641 -2.9871562 -0.44251923 -0.41045555
|
|
Loop time of 4.31538e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
641 -2.9871562 -0.44251923 -0.41045555
|
|
642 -2.9871562 -0.44251923 -0.35746874
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
642 -2.9871562 -0.44251923 -0.35746874
|
|
643 -2.9871562 -0.44251923 -0.38670865
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
643 -2.9871562 -0.44251923 -0.38670865
|
|
644 -2.9871562 -0.44251923 -0.4341366
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
644 -2.9871562 -0.44251923 -0.4341366
|
|
645 -2.9871562 -0.44251923 -0.43696926
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
645 -2.9871562 -0.44251923 -0.43696926
|
|
646 -2.9871562 -0.44251923 -0.35694963
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
646 -2.9871562 -0.44251923 -0.35694963
|
|
647 -2.9871562 -0.44251923 -0.55496642
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.554966415695675
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
647 -2.9871562 -0.55496642 -0.55496642
|
|
648 -2.9871562 -0.55496642 -0.56392451
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.563924513085021
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
648 -2.9871562 -0.56392451 -0.56392451
|
|
649 -2.9871562 -0.56392451 -0.6253744
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.625374403156455
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
649 -2.9871562 -0.6253744 -0.6253744
|
|
650 -2.9871562 -0.6253744 -0.61616032
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
650 -2.9871562 -0.6253744 -0.61616032
|
|
651 -2.9871562 -0.6253744 -0.61763035
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
651 -2.9871562 -0.6253744 -0.61763035
|
|
652 -2.9871562 -0.6253744 -0.61879708
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
652 -2.9871562 -0.6253744 -0.61879708
|
|
653 -2.9871562 -0.6253744 -0.56062041
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
653 -2.9871562 -0.6253744 -0.56062041
|
|
654 -2.9871562 -0.6253744 -0.62125035
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
654 -2.9871562 -0.6253744 -0.62125035
|
|
655 -2.9871562 -0.6253744 -0.60367348
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
655 -2.9871562 -0.6253744 -0.60367348
|
|
656 -2.9871562 -0.6253744 -0.62408022
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
656 -2.9871562 -0.6253744 -0.62408022
|
|
657 -2.9871562 -0.6253744 -0.60476012
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
657 -2.9871562 -0.6253744 -0.60476012
|
|
658 -2.9871562 -0.6253744 -0.35035594
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
658 -2.9871562 -0.6253744 -0.35035594
|
|
659 -2.9871562 -0.6253744 -0.63967211
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.63967210861037
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
659 -2.9871562 -0.63967211 -0.63967211
|
|
660 -2.9871562 -0.63967211 -0.56512044
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
660 -2.9871562 -0.63967211 -0.56512044
|
|
661 -2.9871562 -0.63967211 -0.56543919
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
661 -2.9871562 -0.63967211 -0.56543919
|
|
662 -2.9871562 -0.63967211 -0.61422984
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
662 -2.9871562 -0.63967211 -0.61422984
|
|
663 -2.9871562 -0.63967211 -0.60538026
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
663 -2.9871562 -0.63967211 -0.60538026
|
|
664 -2.9871562 -0.63967211 -0.63317184
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
664 -2.9871562 -0.63967211 -0.63317184
|
|
665 -2.9871562 -0.63967211 -0.65102639
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.651026388242518
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
665 -2.9871562 -0.65102639 -0.65102639
|
|
666 -2.9871562 -0.65102639 -0.6421877
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
666 -2.9871562 -0.65102639 -0.6421877
|
|
667 -2.9871562 -0.65102639 -0.63752168
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
667 -2.9871562 -0.65102639 -0.63752168
|
|
668 -2.9871562 -0.65102639 -0.64669976
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
668 -2.9871562 -0.65102639 -0.64669976
|
|
669 -2.9871562 -0.65102639 -0.64312708
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
669 -2.9871562 -0.65102639 -0.64312708
|
|
670 -2.9871562 -0.65102639 -0.66602119
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.666021189264906
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
670 -2.9871562 -0.66602119 -0.66602119
|
|
671 -2.9871562 -0.66602119 -0.65331002
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
671 -2.9871562 -0.66602119 -0.65331002
|
|
672 -2.9871562 -0.66602119 -0.62916766
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
672 -2.9871562 -0.66602119 -0.62916766
|
|
673 -2.9871562 -0.66602119 -0.64717505
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
673 -2.9871562 -0.66602119 -0.64717505
|
|
674 -2.9871562 -0.66602119 -0.68387434
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.683874344682348
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
674 -2.9871562 -0.68387434 -0.68387434
|
|
675 -2.9871562 -0.68387434 -0.66971043
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
675 -2.9871562 -0.68387434 -0.66971043
|
|
676 -2.9871562 -0.68387434 -0.37081383
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
676 -2.9871562 -0.68387434 -0.37081383
|
|
677 -2.9871562 -0.68387434 -0.69365552
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.69365551742281
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
677 -2.9871562 -0.69365552 -0.69365552
|
|
678 -2.9871562 -0.69365552 -0.68842579
|
|
Loop time of 9.799e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
678 -2.9871562 -0.69365552 -0.68842579
|
|
679 -2.9871562 -0.69365552 -0.68888428
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
679 -2.9871562 -0.69365552 -0.68888428
|
|
680 -2.9871562 -0.69365552 -0.67357986
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
680 -2.9871562 -0.69365552 -0.67357986
|
|
681 -2.9871562 -0.69365552 -0.52422406
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
681 -2.9871562 -0.69365552 -0.52422406
|
|
682 -2.9871562 -0.69365552 -0.69331269
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.693312690097748
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
682 -2.9871562 -0.69331269 -0.69331269
|
|
683 -2.9871562 -0.69331269 -0.67400175
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
683 -2.9871562 -0.69331269 -0.67400175
|
|
684 -2.9871562 -0.69331269 -0.42741695
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
684 -2.9871562 -0.69331269 -0.42741695
|
|
685 -2.9871562 -0.69331269 -0.53681986
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
685 -2.9871562 -0.69331269 -0.53681986
|
|
686 -2.9871562 -0.69331269 -0.7038038
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.703803799903294
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
686 -2.9871562 -0.7038038 -0.7038038
|
|
687 -2.9871562 -0.7038038 -0.57833375
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
687 -2.9871562 -0.7038038 -0.57833375
|
|
688 -2.9871562 -0.7038038 -0.68916454
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
688 -2.9871562 -0.7038038 -0.68916454
|
|
689 -2.9871562 -0.7038038 -0.70149309
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
689 -2.9871562 -0.7038038 -0.70149309
|
|
690 -2.9871562 -0.7038038 -0.6321678
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
690 -2.9871562 -0.7038038 -0.6321678
|
|
691 -2.9871562 -0.7038038 -0.66120341
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
691 -2.9871562 -0.7038038 -0.66120341
|
|
692 -2.9871562 -0.7038038 -0.67125875
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
692 -2.9871562 -0.7038038 -0.67125875
|
|
693 -2.9871562 -0.7038038 -0.69632249
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
693 -2.9871562 -0.7038038 -0.69632249
|
|
694 -2.9871562 -0.7038038 -0.60672224
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
694 -2.9871562 -0.7038038 -0.60672224
|
|
695 -2.9871562 -0.7038038 -0.61709497
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
695 -2.9871562 -0.7038038 -0.61709497
|
|
696 -2.9871562 -0.7038038 -0.67866521
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
696 -2.9871562 -0.7038038 -0.67866521
|
|
697 -2.9871562 -0.7038038 -0.73688578
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.736885781665755
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
697 -2.9871562 -0.73688578 -0.73688578
|
|
698 -2.9871562 -0.73688578 -0.74528612
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.745286118473708
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
698 -2.9871562 -0.74528612 -0.74528612
|
|
699 -2.9871562 -0.74528612 -0.68257905
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
699 -2.9871562 -0.74528612 -0.68257905
|
|
700 -2.9871562 -0.74528612 -0.74739063
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.747390632339171
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
700 -2.9871562 -0.74739063 -0.74739063
|
|
701 -2.9871562 -0.74739063 -0.58347296
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
701 -2.9871562 -0.74739063 -0.58347296
|
|
702 -2.9871562 -0.74739063 -0.74949274
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.749492743546785
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
702 -2.9871562 -0.74949274 -0.74949274
|
|
703 -2.9871562 -0.74949274 -0.72953469
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
703 -2.9871562 -0.74949274 -0.72953469
|
|
704 -2.9871562 -0.74949274 -0.72810514
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
704 -2.9871562 -0.74949274 -0.72810514
|
|
705 -2.9871562 -0.74949274 -0.7345188
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
705 -2.9871562 -0.74949274 -0.7345188
|
|
706 -2.9871562 -0.74949274 -0.74953726
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.749537257968896
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
706 -2.9871562 -0.74953726 -0.74953726
|
|
707 -2.9871562 -0.74953726 -0.72606257
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
707 -2.9871562 -0.74953726 -0.72606257
|
|
708 -2.9871562 -0.74953726 -0.77553525
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.775535247121637
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
708 -2.9871562 -0.77553525 -0.77553525
|
|
709 -2.9871562 -0.77553525 -0.8603784
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.860378404982536
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
709 -2.9871562 -0.8603784 -0.8603784
|
|
710 -2.9871562 -0.8603784 -0.85900719
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
710 -2.9871562 -0.8603784 -0.85900719
|
|
711 -2.9871562 -0.8603784 -0.86839622
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.868396215836163
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
711 -2.9871562 -0.86839622 -0.86839622
|
|
712 -2.9871562 -0.86839622 -0.85014479
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
712 -2.9871562 -0.86839622 -0.85014479
|
|
713 -2.9871562 -0.86839622 -0.87979981
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.87979980877353
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
713 -2.9871562 -0.87979981 -0.87979981
|
|
714 -2.9871562 -0.87979981 -0.92371615
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.923716149863296
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
714 -2.9871562 -0.92371615 -0.92371615
|
|
715 -2.9871562 -0.92371615 -0.89922586
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
715 -2.9871562 -0.92371615 -0.89922586
|
|
716 -2.9871562 -0.92371615 -0.91029363
|
|
Loop time of 0.000125885 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
716 -2.9871562 -0.92371615 -0.91029363
|
|
717 -2.9871562 -0.92371615 -0.91287647
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
717 -2.9871562 -0.92371615 -0.91287647
|
|
718 -2.9871562 -0.92371615 -0.9006015
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
718 -2.9871562 -0.92371615 -0.9006015
|
|
719 -2.9871562 -0.92371615 -0.90800571
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
719 -2.9871562 -0.92371615 -0.90800571
|
|
720 -2.9871562 -0.92371615 -0.8056964
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
720 -2.9871562 -0.92371615 -0.8056964
|
|
721 -2.9871562 -0.92371615 -0.90712958
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
721 -2.9871562 -0.92371615 -0.90712958
|
|
722 -2.9871562 -0.92371615 -0.88931216
|
|
Loop time of 9.70364e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
722 -2.9871562 -0.92371615 -0.88931216
|
|
723 -2.9871562 -0.92371615 -0.86957386
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
723 -2.9871562 -0.92371615 -0.86957386
|
|
724 -2.9871562 -0.92371615 -0.74438097
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
724 -2.9871562 -0.92371615 -0.74438097
|
|
725 -2.9871562 -0.92371615 -0.86860412
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
725 -2.9871562 -0.92371615 -0.86860412
|
|
726 -2.9871562 -0.92371615 -0.8994179
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
726 -2.9871562 -0.92371615 -0.8994179
|
|
727 -2.9871562 -0.92371615 -0.93811037
|
|
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.938110366666919
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
727 -2.9871562 -0.93811037 -0.93811037
|
|
728 -2.9871562 -0.93811037 -0.94565637
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.945656369446711
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
728 -2.9871562 -0.94565637 -0.94565637
|
|
729 -2.9871562 -0.94565637 -0.94444502
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
729 -2.9871562 -0.94565637 -0.94444502
|
|
730 -2.9871562 -0.94565637 -0.88628544
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
730 -2.9871562 -0.94565637 -0.88628544
|
|
731 -2.9871562 -0.94565637 -0.9108082
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
731 -2.9871562 -0.94565637 -0.9108082
|
|
732 -2.9871562 -0.94565637 -0.932861
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
732 -2.9871562 -0.94565637 -0.932861
|
|
733 -2.9871562 -0.94565637 -0.89969365
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
733 -2.9871562 -0.94565637 -0.89969365
|
|
734 -2.9871562 -0.94565637 -0.94428064
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
734 -2.9871562 -0.94565637 -0.94428064
|
|
735 -2.9871562 -0.94565637 -0.95185881
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -0.95185881181507
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
735 -2.9871562 -0.95185881 -0.95185881
|
|
736 -2.9871562 -0.95185881 -1.064824
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.06482399252254
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
736 -2.9871562 -1.064824 -1.064824
|
|
737 -2.9871562 -1.064824 -1.0565005
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
737 -2.9871562 -1.064824 -1.0565005
|
|
738 -2.9871562 -1.064824 -1.0828088
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.08280884666448
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
738 -2.9871562 -1.0828088 -1.0828088
|
|
739 -2.9871562 -1.0828088 -1.0434116
|
|
Loop time of 5.00679e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
739 -2.9871562 -1.0828088 -1.0434116
|
|
740 -2.9871562 -1.0828088 -1.0797147
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
740 -2.9871562 -1.0828088 -1.0797147
|
|
741 -2.9871562 -1.0828088 -1.0413097
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
741 -2.9871562 -1.0828088 -1.0413097
|
|
742 -2.9871562 -1.0828088 -1.0558106
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
742 -2.9871562 -1.0828088 -1.0558106
|
|
743 -2.9871562 -1.0828088 -0.9473152
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
743 -2.9871562 -1.0828088 -0.9473152
|
|
744 -2.9871562 -1.0828088 -1.0189598
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
744 -2.9871562 -1.0828088 -1.0189598
|
|
745 -2.9871562 -1.0828088 -1.0869537
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.08695374469343
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
745 -2.9871562 -1.0869537 -1.0869537
|
|
746 -2.9871562 -1.0869537 -1.0543912
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
746 -2.9871562 -1.0869537 -1.0543912
|
|
747 -2.9871562 -1.0869537 -1.0728417
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
747 -2.9871562 -1.0869537 -1.0728417
|
|
748 -2.9871562 -1.0869537 -1.1050589
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.10505887679003
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
748 -2.9871562 -1.1050589 -1.1050589
|
|
749 -2.9871562 -1.1050589 -0.78386753
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
749 -2.9871562 -1.1050589 -0.78386753
|
|
750 -2.9871562 -1.1050589 -1.0884333
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
750 -2.9871562 -1.1050589 -1.0884333
|
|
751 -2.9871562 -1.1050589 -1.1019237
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
751 -2.9871562 -1.1050589 -1.1019237
|
|
752 -2.9871562 -1.1050589 -1.1029689
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
752 -2.9871562 -1.1050589 -1.1029689
|
|
753 -2.9871562 -1.1050589 -1.0788454
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
753 -2.9871562 -1.1050589 -1.0788454
|
|
754 -2.9871562 -1.1050589 -1.0865203
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
754 -2.9871562 -1.1050589 -1.0865203
|
|
755 -2.9871562 -1.1050589 -1.0929598
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
755 -2.9871562 -1.1050589 -1.0929598
|
|
756 -2.9871562 -1.1050589 -1.0685093
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
756 -2.9871562 -1.1050589 -1.0685093
|
|
757 -2.9871562 -1.1050589 -0.63436265
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
757 -2.9871562 -1.1050589 -0.63436265
|
|
758 -2.9871562 -1.1050589 -1.0965017
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
758 -2.9871562 -1.1050589 -1.0965017
|
|
759 -2.9871562 -1.1050589 -1.0831017
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
759 -2.9871562 -1.1050589 -1.0831017
|
|
760 -2.9871562 -1.1050589 -1.0810741
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
760 -2.9871562 -1.1050589 -1.0810741
|
|
761 -2.9871562 -1.1050589 -1.0457935
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
761 -2.9871562 -1.1050589 -1.0457935
|
|
762 -2.9871562 -1.1050589 -1.0936086
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
762 -2.9871562 -1.1050589 -1.0936086
|
|
763 -2.9871562 -1.1050589 -0.92591038
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
763 -2.9871562 -1.1050589 -0.92591038
|
|
764 -2.9871562 -1.1050589 -1.0417918
|
|
Loop time of 8.4877e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
764 -2.9871562 -1.1050589 -1.0417918
|
|
765 -2.9871562 -1.1050589 -1.1050408
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.10504082570065
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
765 -2.9871562 -1.1050408 -1.1050408
|
|
766 -2.9871562 -1.1050408 -1.0699445
|
|
Loop time of 8.91685e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
766 -2.9871562 -1.1050408 -1.0699445
|
|
767 -2.9871562 -1.1050408 -1.0129021
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
767 -2.9871562 -1.1050408 -1.0129021
|
|
768 -2.9871562 -1.1050408 -1.1013031
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
768 -2.9871562 -1.1050408 -1.1013031
|
|
769 -2.9871562 -1.1050408 -1.0924456
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
769 -2.9871562 -1.1050408 -1.0924456
|
|
770 -2.9871562 -1.1050408 -1.1010654
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
770 -2.9871562 -1.1050408 -1.1010654
|
|
771 -2.9871562 -1.1050408 -1.0818194
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
771 -2.9871562 -1.1050408 -1.0818194
|
|
772 -2.9871562 -1.1050408 -1.1021421
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
772 -2.9871562 -1.1050408 -1.1021421
|
|
773 -2.9871562 -1.1050408 -1.1181097
|
|
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.11810972765191
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
773 -2.9871562 -1.1181097 -1.1181097
|
|
774 -2.9871562 -1.1181097 -1.1041818
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
774 -2.9871562 -1.1181097 -1.1041818
|
|
775 -2.9871562 -1.1181097 -1.1230924
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.12309240318869
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
775 -2.9871562 -1.1230924 -1.1230924
|
|
776 -2.9871562 -1.1230924 -1.1180625
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
776 -2.9871562 -1.1230924 -1.1180625
|
|
777 -2.9871562 -1.1230924 -1.1023792
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
777 -2.9871562 -1.1230924 -1.1023792
|
|
778 -2.9871562 -1.1230924 -0.36695386
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
778 -2.9871562 -1.1230924 -0.36695386
|
|
779 -2.9871562 -1.1230924 -1.0977051
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
779 -2.9871562 -1.1230924 -1.0977051
|
|
780 -2.9871562 -1.1230924 -1.0653332
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
780 -2.9871562 -1.1230924 -1.0653332
|
|
781 -2.9871562 -1.1230924 -1.099491
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
781 -2.9871562 -1.1230924 -1.099491
|
|
782 -2.9871562 -1.1230924 -1.1257191
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.12571907266554
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
782 -2.9871562 -1.1257191 -1.1257191
|
|
783 -2.9871562 -1.1257191 -1.1238326
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
783 -2.9871562 -1.1257191 -1.1238326
|
|
784 -2.9871562 -1.1257191 -1.0244929
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
784 -2.9871562 -1.1257191 -1.0244929
|
|
785 -2.9871562 -1.1257191 -1.1245136
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
785 -2.9871562 -1.1257191 -1.1245136
|
|
786 -2.9871562 -1.1257191 -1.1243989
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
786 -2.9871562 -1.1257191 -1.1243989
|
|
787 -2.9871562 -1.1257191 -1.0652197
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
787 -2.9871562 -1.1257191 -1.0652197
|
|
788 -2.9871562 -1.1257191 -1.1215772
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
788 -2.9871562 -1.1257191 -1.1215772
|
|
789 -2.9871562 -1.1257191 -1.0953631
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
789 -2.9871562 -1.1257191 -1.0953631
|
|
790 -2.9871562 -1.1257191 -1.0876376
|
|
Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
790 -2.9871562 -1.1257191 -1.0876376
|
|
791 -2.9871562 -1.1257191 -1.116487
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
791 -2.9871562 -1.1257191 -1.116487
|
|
792 -2.9871562 -1.1257191 -1.1245603
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
792 -2.9871562 -1.1257191 -1.1245603
|
|
793 -2.9871562 -1.1257191 -1.119904
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
793 -2.9871562 -1.1257191 -1.119904
|
|
794 -2.9871562 -1.1257191 -1.1267314
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.12673137574055
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
794 -2.9871562 -1.1267314 -1.1267314
|
|
795 -2.9871562 -1.1267314 -1.1014411
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
795 -2.9871562 -1.1267314 -1.1014411
|
|
796 -2.9871562 -1.1267314 -1.0936568
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
796 -2.9871562 -1.1267314 -1.0936568
|
|
797 -2.9871562 -1.1267314 -1.0784129
|
|
Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
797 -2.9871562 -1.1267314 -1.0784129
|
|
798 -2.9871562 -1.1267314 -1.0872184
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
798 -2.9871562 -1.1267314 -1.0872184
|
|
799 -2.9871562 -1.1267314 -1.1108226
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
799 -2.9871562 -1.1267314 -1.1108226
|
|
800 -2.9871562 -1.1267314 -1.1624208
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.16242082519387
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
800 -2.9871562 -1.1624208 -1.1624208
|
|
801 -2.9871562 -1.1624208 -1.1171369
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
801 -2.9871562 -1.1624208 -1.1171369
|
|
802 -2.9871562 -1.1624208 -1.1564218
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
802 -2.9871562 -1.1624208 -1.1564218
|
|
803 -2.9871562 -1.1624208 -1.1368237
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
803 -2.9871562 -1.1624208 -1.1368237
|
|
804 -2.9871562 -1.1624208 -1.1631025
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.16310248422247
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
804 -2.9871562 -1.1631025 -1.1631025
|
|
805 -2.9871562 -1.1631025 -1.1371119
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
805 -2.9871562 -1.1631025 -1.1371119
|
|
806 -2.9871562 -1.1631025 -1.1645641
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.16456409881495
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
806 -2.9871562 -1.1645641 -1.1645641
|
|
807 -2.9871562 -1.1645641 -1.1447447
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
807 -2.9871562 -1.1645641 -1.1447447
|
|
808 -2.9871562 -1.1645641 -1.0739664
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
808 -2.9871562 -1.1645641 -1.0739664
|
|
809 -2.9871562 -1.1645641 -1.148198
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
809 -2.9871562 -1.1645641 -1.148198
|
|
810 -2.9871562 -1.1645641 -1.1656546
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.16565464297135
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
810 -2.9871562 -1.1656546 -1.1656546
|
|
811 -2.9871562 -1.1656546 -1.1495819
|
|
Loop time of 8.89301e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
811 -2.9871562 -1.1656546 -1.1495819
|
|
812 -2.9871562 -1.1656546 -1.1549759
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
812 -2.9871562 -1.1656546 -1.1549759
|
|
813 -2.9871562 -1.1656546 -1.1665089
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.16650888553688
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
813 -2.9871562 -1.1665089 -1.1665089
|
|
814 -2.9871562 -1.1665089 -1.1170964
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
814 -2.9871562 -1.1665089 -1.1170964
|
|
815 -2.9871562 -1.1665089 -1.1603266
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
815 -2.9871562 -1.1665089 -1.1603266
|
|
816 -2.9871562 -1.1665089 -1.1566277
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
816 -2.9871562 -1.1665089 -1.1566277
|
|
817 -2.9871562 -1.1665089 -1.1454135
|
|
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
817 -2.9871562 -1.1665089 -1.1454135
|
|
818 -2.9871562 -1.1665089 -1.1718313
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.17183129448262
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
818 -2.9871562 -1.1718313 -1.1718313
|
|
819 -2.9871562 -1.1718313 -1.1455713
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
819 -2.9871562 -1.1718313 -1.1455713
|
|
820 -2.9871562 -1.1718313 -1.1754405
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.17544047457067
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
820 -2.9871562 -1.1754405 -1.1754405
|
|
821 -2.9871562 -1.1754405 -1.1509105
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
821 -2.9871562 -1.1754405 -1.1509105
|
|
822 -2.9871562 -1.1754405 -1.1428126
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
822 -2.9871562 -1.1754405 -1.1428126
|
|
823 -2.9871562 -1.1754405 -1.104376
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
823 -2.9871562 -1.1754405 -1.104376
|
|
824 -2.9871562 -1.1754405 -1.1657334
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
824 -2.9871562 -1.1754405 -1.1657334
|
|
825 -2.9871562 -1.1754405 -1.1554166
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
825 -2.9871562 -1.1754405 -1.1554166
|
|
826 -2.9871562 -1.1754405 -1.1610697
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
826 -2.9871562 -1.1754405 -1.1610697
|
|
827 -2.9871562 -1.1754405 -1.1646464
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
827 -2.9871562 -1.1754405 -1.1646464
|
|
828 -2.9871562 -1.1754405 -1.1537338
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
828 -2.9871562 -1.1754405 -1.1537338
|
|
829 -2.9871562 -1.1754405 -1.1821216
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.18212157409973
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
829 -2.9871562 -1.1821216 -1.1821216
|
|
830 -2.9871562 -1.1821216 -1.1805657
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
830 -2.9871562 -1.1821216 -1.1805657
|
|
831 -2.9871562 -1.1821216 -1.1802218
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
831 -2.9871562 -1.1821216 -1.1802218
|
|
832 -2.9871562 -1.1821216 -1.144233
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
832 -2.9871562 -1.1821216 -1.144233
|
|
833 -2.9871562 -1.1821216 -1.266985
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.26698501050107
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
833 -2.9871562 -1.266985 -1.266985
|
|
834 -2.9871562 -1.266985 -1.2716195
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.27161953865876
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
834 -2.9871562 -1.2716195 -1.2716195
|
|
835 -2.9871562 -1.2716195 -1.2683746
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
835 -2.9871562 -1.2716195 -1.2683746
|
|
836 -2.9871562 -1.2716195 -1.2278534
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
836 -2.9871562 -1.2716195 -1.2278534
|
|
837 -2.9871562 -1.2716195 -1.2228555
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
837 -2.9871562 -1.2716195 -1.2228555
|
|
838 -2.9871562 -1.2716195 -1.2514865
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
838 -2.9871562 -1.2716195 -1.2514865
|
|
839 -2.9871562 -1.2716195 -1.2635653
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
839 -2.9871562 -1.2716195 -1.2635653
|
|
840 -2.9871562 -1.2716195 -1.2732727
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.27327267257189
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
840 -2.9871562 -1.2732727 -1.2732727
|
|
841 -2.9871562 -1.2732727 -1.2481412
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
841 -2.9871562 -1.2732727 -1.2481412
|
|
842 -2.9871562 -1.2732727 -1.2335392
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
842 -2.9871562 -1.2732727 -1.2335392
|
|
843 -2.9871562 -1.2732727 -1.2622417
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
843 -2.9871562 -1.2732727 -1.2622417
|
|
844 -2.9871562 -1.2732727 -1.262875
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
844 -2.9871562 -1.2732727 -1.262875
|
|
845 -2.9871562 -1.2732727 -1.0468783
|
|
Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
845 -2.9871562 -1.2732727 -1.0468783
|
|
846 -2.9871562 -1.2732727 -1.289332
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.28933197725864
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
846 -2.9871562 -1.289332 -1.289332
|
|
847 -2.9871562 -1.289332 -1.2749888
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
847 -2.9871562 -1.289332 -1.2749888
|
|
848 -2.9871562 -1.289332 -1.2735727
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
848 -2.9871562 -1.289332 -1.2735727
|
|
849 -2.9871562 -1.289332 -1.2611485
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
849 -2.9871562 -1.289332 -1.2611485
|
|
850 -2.9871562 -1.289332 -1.3091656
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.30916557787446
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
850 -2.9871562 -1.3091656 -1.3091656
|
|
851 -2.9871562 -1.3091656 -1.3000202
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
851 -2.9871562 -1.3091656 -1.3000202
|
|
852 -2.9871562 -1.3091656 -1.2953504
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
852 -2.9871562 -1.3091656 -1.2953504
|
|
853 -2.9871562 -1.3091656 -1.3030329
|
|
Loop time of 8.08239e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
853 -2.9871562 -1.3091656 -1.3030329
|
|
854 -2.9871562 -1.3091656 -1.2998519
|
|
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
854 -2.9871562 -1.3091656 -1.2998519
|
|
855 -2.9871562 -1.3091656 -1.2953856
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
855 -2.9871562 -1.3091656 -1.2953856
|
|
856 -2.9871562 -1.3091656 -1.3116741
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.31167412917964
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
856 -2.9871562 -1.3116741 -1.3116741
|
|
857 -2.9871562 -1.3116741 -1.2854701
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
857 -2.9871562 -1.3116741 -1.2854701
|
|
858 -2.9871562 -1.3116741 -1.314665
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.31466501163557
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
858 -2.9871562 -1.314665 -1.314665
|
|
859 -2.9871562 -1.314665 -1.2905473
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
859 -2.9871562 -1.314665 -1.2905473
|
|
860 -2.9871562 -1.314665 -1.1883192
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
860 -2.9871562 -1.314665 -1.1883192
|
|
861 -2.9871562 -1.314665 -0.88584683
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
861 -2.9871562 -1.314665 -0.88584683
|
|
862 -2.9871562 -1.314665 -1.283935
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
862 -2.9871562 -1.314665 -1.283935
|
|
863 -2.9871562 -1.314665 -1.3034093
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
863 -2.9871562 -1.314665 -1.3034093
|
|
864 -2.9871562 -1.314665 -1.1675377
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
864 -2.9871562 -1.314665 -1.1675377
|
|
865 -2.9871562 -1.314665 -1.2655871
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
865 -2.9871562 -1.314665 -1.2655871
|
|
866 -2.9871562 -1.314665 -1.3282131
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.32821307402118
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
866 -2.9871562 -1.3282131 -1.3282131
|
|
867 -2.9871562 -1.3282131 -1.3198518
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
867 -2.9871562 -1.3282131 -1.3198518
|
|
868 -2.9871562 -1.3282131 -1.29783
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
868 -2.9871562 -1.3282131 -1.29783
|
|
869 -2.9871562 -1.3282131 -1.3086636
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
869 -2.9871562 -1.3282131 -1.3086636
|
|
870 -2.9871562 -1.3282131 -1.32589
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
870 -2.9871562 -1.3282131 -1.32589
|
|
871 -2.9871562 -1.3282131 -1.3088253
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
871 -2.9871562 -1.3282131 -1.3088253
|
|
872 -2.9871562 -1.3282131 -1.314552
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
872 -2.9871562 -1.3282131 -1.314552
|
|
873 -2.9871562 -1.3282131 -1.3165092
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
873 -2.9871562 -1.3282131 -1.3165092
|
|
874 -2.9871562 -1.3282131 -1.3120438
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
874 -2.9871562 -1.3282131 -1.3120438
|
|
875 -2.9871562 -1.3282131 -1.3223582
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
875 -2.9871562 -1.3282131 -1.3223582
|
|
876 -2.9871562 -1.3282131 -1.2949247
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
876 -2.9871562 -1.3282131 -1.2949247
|
|
877 -2.9871562 -1.3282131 -1.3206675
|
|
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
877 -2.9871562 -1.3282131 -1.3206675
|
|
878 -2.9871562 -1.3282131 -1.2801429
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
878 -2.9871562 -1.3282131 -1.2801429
|
|
879 -2.9871562 -1.3282131 -1.2960184
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
879 -2.9871562 -1.3282131 -1.2960184
|
|
880 -2.9871562 -1.3282131 -1.2959489
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
880 -2.9871562 -1.3282131 -1.2959489
|
|
881 -2.9871562 -1.3282131 -1.2851546
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
881 -2.9871562 -1.3282131 -1.2851546
|
|
882 -2.9871562 -1.3282131 -1.3168721
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
882 -2.9871562 -1.3282131 -1.3168721
|
|
883 -2.9871562 -1.3282131 -1.1488674
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
883 -2.9871562 -1.3282131 -1.1488674
|
|
884 -2.9871562 -1.3282131 -1.292458
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
884 -2.9871562 -1.3282131 -1.292458
|
|
885 -2.9871562 -1.3282131 -1.3120781
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
885 -2.9871562 -1.3282131 -1.3120781
|
|
886 -2.9871562 -1.3282131 -1.3309737
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.33097370919302
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
886 -2.9871562 -1.3309737 -1.3309737
|
|
887 -2.9871562 -1.3309737 -1.3782161
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.37821606398427
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
887 -2.9871562 -1.3782161 -1.3782161
|
|
888 -2.9871562 -1.3782161 -1.3678072
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
888 -2.9871562 -1.3782161 -1.3678072
|
|
889 -2.9871562 -1.3782161 -1.3938525
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.39385249353762
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
889 -2.9871562 -1.3938525 -1.3938525
|
|
890 -2.9871562 -1.3938525 -1.1986433
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
890 -2.9871562 -1.3938525 -1.1986433
|
|
891 -2.9871562 -1.3938525 -1.4230587
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.42305866503535
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
891 -2.9871562 -1.4230587 -1.4230587
|
|
892 -2.9871562 -1.4230587 -1.3877046
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
892 -2.9871562 -1.4230587 -1.3877046
|
|
893 -2.9871562 -1.4230587 -1.4166053
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
893 -2.9871562 -1.4230587 -1.4166053
|
|
894 -2.9871562 -1.4230587 -1.4258301
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.42583006679086
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
894 -2.9871562 -1.4258301 -1.4258301
|
|
895 -2.9871562 -1.4258301 -1.1315095
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
895 -2.9871562 -1.4258301 -1.1315095
|
|
896 -2.9871562 -1.4258301 -1.2937761
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
896 -2.9871562 -1.4258301 -1.2937761
|
|
897 -2.9871562 -1.4258301 -1.4111061
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
897 -2.9871562 -1.4258301 -1.4111061
|
|
898 -2.9871562 -1.4258301 -1.4264088
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.42640875111858
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
898 -2.9871562 -1.4264088 -1.4264088
|
|
899 -2.9871562 -1.4264088 -1.4221632
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
899 -2.9871562 -1.4264088 -1.4221632
|
|
900 -2.9871562 -1.4264088 -1.3692236
|
|
Loop time of 5.10216e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
900 -2.9871562 -1.4264088 -1.3692236
|
|
901 -2.9871562 -1.4264088 -1.403561
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
901 -2.9871562 -1.4264088 -1.403561
|
|
902 -2.9871562 -1.4264088 -1.4162228
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
902 -2.9871562 -1.4264088 -1.4162228
|
|
903 -2.9871562 -1.4264088 -1.3591971
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
903 -2.9871562 -1.4264088 -1.3591971
|
|
904 -2.9871562 -1.4264088 -1.4158275
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
904 -2.9871562 -1.4264088 -1.4158275
|
|
905 -2.9871562 -1.4264088 -1.4050774
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
905 -2.9871562 -1.4264088 -1.4050774
|
|
906 -2.9871562 -1.4264088 -1.4189472
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
906 -2.9871562 -1.4264088 -1.4189472
|
|
907 -2.9871562 -1.4264088 -1.3562675
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
907 -2.9871562 -1.4264088 -1.3562675
|
|
908 -2.9871562 -1.4264088 -1.4267255
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.42672550601277
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
908 -2.9871562 -1.4267255 -1.4267255
|
|
909 -2.9871562 -1.4267255 -1.4223114
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
909 -2.9871562 -1.4267255 -1.4223114
|
|
910 -2.9871562 -1.4267255 -1.3725053
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
910 -2.9871562 -1.4267255 -1.3725053
|
|
911 -2.9871562 -1.4267255 -1.4585626
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.45856263857513
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
911 -2.9871562 -1.4585626 -1.4585626
|
|
912 -2.9871562 -1.4585626 -1.4248258
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
912 -2.9871562 -1.4585626 -1.4248258
|
|
913 -2.9871562 -1.4585626 -1.420362
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
913 -2.9871562 -1.4585626 -1.420362
|
|
914 -2.9871562 -1.4585626 -1.3928519
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
914 -2.9871562 -1.4585626 -1.3928519
|
|
915 -2.9871562 -1.4585626 -1.4596556
|
|
Loop time of 5.10216e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.45965558524311
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
915 -2.9871562 -1.4596556 -1.4596556
|
|
916 -2.9871562 -1.4596556 -1.4465708
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
916 -2.9871562 -1.4596556 -1.4465708
|
|
917 -2.9871562 -1.4596556 -1.4574237
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
917 -2.9871562 -1.4596556 -1.4574237
|
|
918 -2.9871562 -1.4596556 -1.4041647
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
918 -2.9871562 -1.4596556 -1.4041647
|
|
919 -2.9871562 -1.4596556 -1.4627085
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.46270848522825
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
919 -2.9871562 -1.4627085 -1.4627085
|
|
920 -2.9871562 -1.4627085 -1.371235
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
920 -2.9871562 -1.4627085 -1.371235
|
|
921 -2.9871562 -1.4627085 -1.272545
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
921 -2.9871562 -1.4627085 -1.272545
|
|
922 -2.9871562 -1.4627085 -1.4638834
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.46388339242615
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
922 -2.9871562 -1.4638834 -1.4638834
|
|
923 -2.9871562 -1.4638834 -1.4425229
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
923 -2.9871562 -1.4638834 -1.4425229
|
|
924 -2.9871562 -1.4638834 -1.4511452
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
924 -2.9871562 -1.4638834 -1.4511452
|
|
925 -2.9871562 -1.4638834 -1.4525268
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
925 -2.9871562 -1.4638834 -1.4525268
|
|
926 -2.9871562 -1.4638834 -1.1335427
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
926 -2.9871562 -1.4638834 -1.1335427
|
|
927 -2.9871562 -1.4638834 -1.4617219
|
|
Loop time of 4.57764e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
927 -2.9871562 -1.4638834 -1.4617219
|
|
928 -2.9871562 -1.4638834 -1.4587396
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
928 -2.9871562 -1.4638834 -1.4587396
|
|
929 -2.9871562 -1.4638834 -1.3892153
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
929 -2.9871562 -1.4638834 -1.3892153
|
|
930 -2.9871562 -1.4638834 -1.4197172
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
930 -2.9871562 -1.4638834 -1.4197172
|
|
931 -2.9871562 -1.4638834 -1.4298523
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
931 -2.9871562 -1.4638834 -1.4298523
|
|
932 -2.9871562 -1.4638834 -1.425361
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
932 -2.9871562 -1.4638834 -1.425361
|
|
933 -2.9871562 -1.4638834 -1.4316573
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
933 -2.9871562 -1.4638834 -1.4316573
|
|
934 -2.9871562 -1.4638834 -1.4680446
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.46804461609265
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
934 -2.9871562 -1.4680446 -1.4680446
|
|
935 -2.9871562 -1.4680446 -1.3824355
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
935 -2.9871562 -1.4680446 -1.3824355
|
|
936 -2.9871562 -1.4680446 -1.4481989
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
936 -2.9871562 -1.4680446 -1.4481989
|
|
937 -2.9871562 -1.4680446 -1.44729
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
937 -2.9871562 -1.4680446 -1.44729
|
|
938 -2.9871562 -1.4680446 -1.4498241
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
938 -2.9871562 -1.4680446 -1.4498241
|
|
939 -2.9871562 -1.4680446 -1.4842848
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.48428475651507
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
939 -2.9871562 -1.4842848 -1.4842848
|
|
940 -2.9871562 -1.4842848 -1.4525493
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
940 -2.9871562 -1.4842848 -1.4525493
|
|
941 -2.9871562 -1.4842848 -1.4691484
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
941 -2.9871562 -1.4842848 -1.4691484
|
|
942 -2.9871562 -1.4842848 -1.4370469
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
942 -2.9871562 -1.4842848 -1.4370469
|
|
943 -2.9871562 -1.4842848 -1.4530533
|
|
Loop time of 0.0181839 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
943 -2.9871562 -1.4842848 -1.4530533
|
|
944 -2.9871562 -1.4842848 -1.4184897
|
|
Loop time of 5.10216e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
944 -2.9871562 -1.4842848 -1.4184897
|
|
945 -2.9871562 -1.4842848 -1.4833862
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
945 -2.9871562 -1.4842848 -1.4833862
|
|
946 -2.9871562 -1.4842848 -1.4611533
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
946 -2.9871562 -1.4842848 -1.4611533
|
|
947 -2.9871562 -1.4842848 -1.3764893
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
947 -2.9871562 -1.4842848 -1.3764893
|
|
948 -2.9871562 -1.4842848 -1.4743998
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
948 -2.9871562 -1.4842848 -1.4743998
|
|
949 -2.9871562 -1.4842848 -1.5066015
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.50660148621266
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
949 -2.9871562 -1.5066015 -1.5066015
|
|
950 -2.9871562 -1.5066015 -1.4739115
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
950 -2.9871562 -1.5066015 -1.4739115
|
|
951 -2.9871562 -1.5066015 -1.4904014
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
951 -2.9871562 -1.5066015 -1.4904014
|
|
952 -2.9871562 -1.5066015 -1.4993071
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
952 -2.9871562 -1.5066015 -1.4993071
|
|
953 -2.9871562 -1.5066015 -1.4353561
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
953 -2.9871562 -1.5066015 -1.4353561
|
|
954 -2.9871562 -1.5066015 -1.5016833
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
954 -2.9871562 -1.5066015 -1.5016833
|
|
955 -2.9871562 -1.5066015 -1.3800225
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
955 -2.9871562 -1.5066015 -1.3800225
|
|
956 -2.9871562 -1.5066015 -1.4938731
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
956 -2.9871562 -1.5066015 -1.4938731
|
|
957 -2.9871562 -1.5066015 -1.4858093
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
957 -2.9871562 -1.5066015 -1.4858093
|
|
958 -2.9871562 -1.5066015 -1.4941101
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
958 -2.9871562 -1.5066015 -1.4941101
|
|
959 -2.9871562 -1.5066015 -1.5111244
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.5111244147327
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
959 -2.9871562 -1.5111244 -1.5111244
|
|
960 -2.9871562 -1.5111244 -1.5489346
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.5489345688284
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
960 -2.9871562 -1.5489346 -1.5489346
|
|
961 -2.9871562 -1.5489346 -1.4993724
|
|
Loop time of 5.10216e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
961 -2.9871562 -1.5489346 -1.4993724
|
|
962 -2.9871562 -1.5489346 -1.5037258
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
962 -2.9871562 -1.5489346 -1.5037258
|
|
963 -2.9871562 -1.5489346 -1.5188775
|
|
Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
963 -2.9871562 -1.5489346 -1.5188775
|
|
964 -2.9871562 -1.5489346 -1.534924
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
964 -2.9871562 -1.5489346 -1.534924
|
|
965 -2.9871562 -1.5489346 -1.53807
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
965 -2.9871562 -1.5489346 -1.53807
|
|
966 -2.9871562 -1.5489346 -1.5464209
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
966 -2.9871562 -1.5489346 -1.5464209
|
|
967 -2.9871562 -1.5489346 -1.5324089
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
967 -2.9871562 -1.5489346 -1.5324089
|
|
968 -2.9871562 -1.5489346 -1.5667241
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.56672406504446
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
968 -2.9871562 -1.5667241 -1.5667241
|
|
969 -2.9871562 -1.5667241 -1.5252755
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
969 -2.9871562 -1.5667241 -1.5252755
|
|
970 -2.9871562 -1.5667241 -1.5687649
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.56876485812285
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
970 -2.9871562 -1.5687649 -1.5687649
|
|
971 -2.9871562 -1.5687649 -1.5552016
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
971 -2.9871562 -1.5687649 -1.5552016
|
|
972 -2.9871562 -1.5687649 -1.5557866
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
972 -2.9871562 -1.5687649 -1.5557866
|
|
973 -2.9871562 -1.5687649 -1.4878464
|
|
Loop time of 4.50611e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
973 -2.9871562 -1.5687649 -1.4878464
|
|
974 -2.9871562 -1.5687649 -1.5387661
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
974 -2.9871562 -1.5687649 -1.5387661
|
|
975 -2.9871562 -1.5687649 -1.5374607
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
975 -2.9871562 -1.5687649 -1.5374607
|
|
976 -2.9871562 -1.5687649 -1.5610358
|
|
Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
976 -2.9871562 -1.5687649 -1.5610358
|
|
977 -2.9871562 -1.5687649 -1.531538
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
977 -2.9871562 -1.5687649 -1.531538
|
|
978 -2.9871562 -1.5687649 -1.569974
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.56997403231769
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
978 -2.9871562 -1.569974 -1.569974
|
|
979 -2.9871562 -1.569974 -1.4956939
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
979 -2.9871562 -1.569974 -1.4956939
|
|
980 -2.9871562 -1.569974 -1.5490568
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
980 -2.9871562 -1.569974 -1.5490568
|
|
981 -2.9871562 -1.569974 -1.4116747
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
981 -2.9871562 -1.569974 -1.4116747
|
|
982 -2.9871562 -1.569974 -1.565936
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
982 -2.9871562 -1.569974 -1.565936
|
|
983 -2.9871562 -1.569974 -1.5321319
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
983 -2.9871562 -1.569974 -1.5321319
|
|
984 -2.9871562 -1.569974 -1.4980961
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
984 -2.9871562 -1.569974 -1.4980961
|
|
985 -2.9871562 -1.569974 -1.569863
|
|
Loop time of 8.29697e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.56986297782347
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
985 -2.9871562 -1.569863 -1.569863
|
|
986 -2.9871562 -1.569863 -1.6099691
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.60996907190349
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
986 -2.9871562 -1.6099691 -1.6099691
|
|
987 -2.9871562 -1.6099691 -1.5338343
|
|
Loop time of 9.58443e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
987 -2.9871562 -1.6099691 -1.5338343
|
|
988 -2.9871562 -1.6099691 -1.5645778
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
988 -2.9871562 -1.6099691 -1.5645778
|
|
989 -2.9871562 -1.6099691 -1.6111527
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.61115265752644
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
989 -2.9871562 -1.6111527 -1.6111527
|
|
990 -2.9871562 -1.6111527 -1.6291621
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.62916211961594
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
990 -2.9871562 -1.6291621 -1.6291621
|
|
991 -2.9871562 -1.6291621 -1.6245807
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
991 -2.9871562 -1.6291621 -1.6245807
|
|
992 -2.9871562 -1.6291621 -1.5734582
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
992 -2.9871562 -1.6291621 -1.5734582
|
|
993 -2.9871562 -1.6291621 -1.59584
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
993 -2.9871562 -1.6291621 -1.59584
|
|
994 -2.9871562 -1.6291621 -1.5832703
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
994 -2.9871562 -1.6291621 -1.5832703
|
|
995 -2.9871562 -1.6291621 -1.6199384
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
995 -2.9871562 -1.6291621 -1.6199384
|
|
996 -2.9871562 -1.6291621 -1.6219569
|
|
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
996 -2.9871562 -1.6291621 -1.6219569
|
|
997 -2.9871562 -1.6291621 -1.5675185
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
997 -2.9871562 -1.6291621 -1.5675185
|
|
998 -2.9871562 -1.6291621 -1.6280463
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.62804629649394
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
998 -2.9871562 -1.6280463 -1.6280463
|
|
999 -2.9871562 -1.6280463 -1.6339175
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.63391749125645
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
999 -2.9871562 -1.6339175 -1.6339175
|
|
1000 -2.9871562 -1.6339175 -1.6221333
|
|
Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1000 -2.9871562 -1.6339175 -1.6221333
|
|
1001 -2.9871562 -1.6339175 -1.6355712
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.63557121398627
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1001 -2.9871562 -1.6355712 -1.6355712
|
|
1002 -2.9871562 -1.6355712 -1.6034376
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1002 -2.9871562 -1.6355712 -1.6034376
|
|
1003 -2.9871562 -1.6355712 -1.5441504
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1003 -2.9871562 -1.6355712 -1.5441504
|
|
1004 -2.9871562 -1.6355712 -1.6039611
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1004 -2.9871562 -1.6355712 -1.6039611
|
|
1005 -2.9871562 -1.6355712 -1.6375951
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.63759510650472
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1005 -2.9871562 -1.6375951 -1.6375951
|
|
1006 -2.9871562 -1.6375951 -1.603665
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1006 -2.9871562 -1.6375951 -1.603665
|
|
1007 -2.9871562 -1.6375951 -1.610878
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1007 -2.9871562 -1.6375951 -1.610878
|
|
1008 -2.9871562 -1.6375951 -1.5240877
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1008 -2.9871562 -1.6375951 -1.5240877
|
|
1009 -2.9871562 -1.6375951 -1.6472282
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.64722817706745
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1009 -2.9871562 -1.6472282 -1.6472282
|
|
1010 -2.9871562 -1.6472282 -1.4173409
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1010 -2.9871562 -1.6472282 -1.4173409
|
|
1011 -2.9871562 -1.6472282 -1.5796536
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1011 -2.9871562 -1.6472282 -1.5796536
|
|
1012 -2.9871562 -1.6472282 -1.6367988
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1012 -2.9871562 -1.6472282 -1.6367988
|
|
1013 -2.9871562 -1.6472282 -1.6475846
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.64758462711158
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1013 -2.9871562 -1.6475846 -1.6475846
|
|
1014 -2.9871562 -1.6475846 -1.5640301
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1014 -2.9871562 -1.6475846 -1.5640301
|
|
1015 -2.9871562 -1.6475846 -1.6664259
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.66642585322243
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1015 -2.9871562 -1.6664259 -1.6664259
|
|
1016 -2.9871562 -1.6664259 -1.678397
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.67839702695885
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1016 -2.9871562 -1.678397 -1.678397
|
|
1017 -2.9871562 -1.678397 -1.6302885
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1017 -2.9871562 -1.678397 -1.6302885
|
|
1018 -2.9871562 -1.678397 -1.6070224
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1018 -2.9871562 -1.678397 -1.6070224
|
|
1019 -2.9871562 -1.678397 -1.6775426
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1019 -2.9871562 -1.678397 -1.6775426
|
|
1020 -2.9871562 -1.678397 -1.5851891
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1020 -2.9871562 -1.678397 -1.5851891
|
|
1021 -2.9871562 -1.678397 -1.6640269
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1021 -2.9871562 -1.678397 -1.6640269
|
|
1022 -2.9871562 -1.678397 -1.6390178
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1022 -2.9871562 -1.678397 -1.6390178
|
|
1023 -2.9871562 -1.678397 -1.6683943
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1023 -2.9871562 -1.678397 -1.6683943
|
|
1024 -2.9871562 -1.678397 -1.6627888
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1024 -2.9871562 -1.678397 -1.6627888
|
|
1025 -2.9871562 -1.678397 -1.6539642
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1025 -2.9871562 -1.678397 -1.6539642
|
|
1026 -2.9871562 -1.678397 -1.6744033
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1026 -2.9871562 -1.678397 -1.6744033
|
|
1027 -2.9871562 -1.678397 -1.6876411
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.68764110279098
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1027 -2.9871562 -1.6876411 -1.6876411
|
|
1028 -2.9871562 -1.6876411 -1.6863163
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1028 -2.9871562 -1.6876411 -1.6863163
|
|
1029 -2.9871562 -1.6876411 -1.6806794
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1029 -2.9871562 -1.6876411 -1.6806794
|
|
1030 -2.9871562 -1.6876411 -1.6532803
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1030 -2.9871562 -1.6876411 -1.6532803
|
|
1031 -2.9871562 -1.6876411 -1.6860124
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1031 -2.9871562 -1.6876411 -1.6860124
|
|
1032 -2.9871562 -1.6876411 -1.6477829
|
|
Loop time of 9.58443e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1032 -2.9871562 -1.6876411 -1.6477829
|
|
1033 -2.9871562 -1.6876411 -1.6978724
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.6978723936207
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1033 -2.9871562 -1.6978724 -1.6978724
|
|
1034 -2.9871562 -1.6978724 -1.669435
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1034 -2.9871562 -1.6978724 -1.669435
|
|
1035 -2.9871562 -1.6978724 -1.693763
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1035 -2.9871562 -1.6978724 -1.693763
|
|
1036 -2.9871562 -1.6978724 -1.6945257
|
|
Loop time of 4.22001e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1036 -2.9871562 -1.6978724 -1.6945257
|
|
1037 -2.9871562 -1.6978724 -1.6727429
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1037 -2.9871562 -1.6978724 -1.6727429
|
|
1038 -2.9871562 -1.6978724 -1.6958062
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1038 -2.9871562 -1.6978724 -1.6958062
|
|
1039 -2.9871562 -1.6978724 -1.6952339
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1039 -2.9871562 -1.6978724 -1.6952339
|
|
1040 -2.9871562 -1.6978724 -1.69066
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1040 -2.9871562 -1.6978724 -1.69066
|
|
1041 -2.9871562 -1.6978724 -1.6792976
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1041 -2.9871562 -1.6978724 -1.6792976
|
|
1042 -2.9871562 -1.6978724 -1.6952457
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1042 -2.9871562 -1.6978724 -1.6952457
|
|
1043 -2.9871562 -1.6978724 -1.6746238
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1043 -2.9871562 -1.6978724 -1.6746238
|
|
1044 -2.9871562 -1.6978724 -1.6794287
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1044 -2.9871562 -1.6978724 -1.6794287
|
|
1045 -2.9871562 -1.6978724 -1.6724785
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1045 -2.9871562 -1.6978724 -1.6724785
|
|
1046 -2.9871562 -1.6978724 -1.7065259
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.70652592266748
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1046 -2.9871562 -1.7065259 -1.7065259
|
|
1047 -2.9871562 -1.7065259 -1.7522396
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.75223959789846
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1047 -2.9871562 -1.7522396 -1.7522396
|
|
1048 -2.9871562 -1.7522396 -1.7193642
|
|
Loop time of 4.98295e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1048 -2.9871562 -1.7522396 -1.7193642
|
|
1049 -2.9871562 -1.7522396 -1.7110385
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1049 -2.9871562 -1.7522396 -1.7110385
|
|
1050 -2.9871562 -1.7522396 -1.7507145
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1050 -2.9871562 -1.7522396 -1.7507145
|
|
1051 -2.9871562 -1.7522396 -1.7132972
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1051 -2.9871562 -1.7522396 -1.7132972
|
|
1052 -2.9871562 -1.7522396 -1.7546873
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.75468732829869
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1052 -2.9871562 -1.7546873 -1.7546873
|
|
1053 -2.9871562 -1.7546873 -1.7363947
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1053 -2.9871562 -1.7546873 -1.7363947
|
|
1054 -2.9871562 -1.7546873 -1.7347994
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1054 -2.9871562 -1.7546873 -1.7347994
|
|
1055 -2.9871562 -1.7546873 -1.7558811
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.75588105385986
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1055 -2.9871562 -1.7558811 -1.7558811
|
|
1056 -2.9871562 -1.7558811 -1.7482214
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1056 -2.9871562 -1.7558811 -1.7482214
|
|
1057 -2.9871562 -1.7558811 -1.7035197
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1057 -2.9871562 -1.7558811 -1.7035197
|
|
1058 -2.9871562 -1.7558811 -1.7250725
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1058 -2.9871562 -1.7558811 -1.7250725
|
|
1059 -2.9871562 -1.7558811 -1.7427547
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1059 -2.9871562 -1.7558811 -1.7427547
|
|
1060 -2.9871562 -1.7558811 -1.7268901
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1060 -2.9871562 -1.7558811 -1.7268901
|
|
1061 -2.9871562 -1.7558811 -1.7229842
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1061 -2.9871562 -1.7558811 -1.7229842
|
|
1062 -2.9871562 -1.7558811 -1.715896
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1062 -2.9871562 -1.7558811 -1.715896
|
|
1063 -2.9871562 -1.7558811 -1.7449823
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1063 -2.9871562 -1.7558811 -1.7449823
|
|
1064 -2.9871562 -1.7558811 -1.7549541
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1064 -2.9871562 -1.7558811 -1.7549541
|
|
1065 -2.9871562 -1.7558811 -1.6816618
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1065 -2.9871562 -1.7558811 -1.6816618
|
|
1066 -2.9871562 -1.7558811 -1.7424774
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1066 -2.9871562 -1.7558811 -1.7424774
|
|
1067 -2.9871562 -1.7558811 -1.6085588
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1067 -2.9871562 -1.7558811 -1.6085588
|
|
1068 -2.9871562 -1.7558811 -1.7063757
|
|
Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1068 -2.9871562 -1.7558811 -1.7063757
|
|
1069 -2.9871562 -1.7558811 -1.6975332
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1069 -2.9871562 -1.7558811 -1.6975332
|
|
1070 -2.9871562 -1.7558811 -1.7491422
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1070 -2.9871562 -1.7558811 -1.7491422
|
|
1071 -2.9871562 -1.7558811 -1.730662
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1071 -2.9871562 -1.7558811 -1.730662
|
|
1072 -2.9871562 -1.7558811 -1.7545667
|
|
Loop time of 8.29697e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1072 -2.9871562 -1.7558811 -1.7545667
|
|
1073 -2.9871562 -1.7558811 -1.7342696
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1073 -2.9871562 -1.7558811 -1.7342696
|
|
1074 -2.9871562 -1.7558811 -1.7050395
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1074 -2.9871562 -1.7558811 -1.7050395
|
|
1075 -2.9871562 -1.7558811 -1.7994654
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.7994654324027
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1075 -2.9871562 -1.7994654 -1.7994654
|
|
1076 -2.9871562 -1.7994654 -1.7981253
|
|
Loop time of 8.89301e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1076 -2.9871562 -1.7994654 -1.7981253
|
|
1077 -2.9871562 -1.7994654 -1.794609
|
|
Loop time of 4.88758e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1077 -2.9871562 -1.7994654 -1.794609
|
|
1078 -2.9871562 -1.7994654 -1.7907138
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1078 -2.9871562 -1.7994654 -1.7907138
|
|
1079 -2.9871562 -1.7994654 -1.7901406
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1079 -2.9871562 -1.7994654 -1.7901406
|
|
1080 -2.9871562 -1.7994654 -1.77805
|
|
Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1080 -2.9871562 -1.7994654 -1.77805
|
|
1081 -2.9871562 -1.7994654 -1.7328905
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1081 -2.9871562 -1.7994654 -1.7328905
|
|
1082 -2.9871562 -1.7994654 -1.7726232
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1082 -2.9871562 -1.7994654 -1.7726232
|
|
1083 -2.9871562 -1.7994654 -1.7952569
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1083 -2.9871562 -1.7994654 -1.7952569
|
|
1084 -2.9871562 -1.7994654 -1.7299987
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1084 -2.9871562 -1.7994654 -1.7299987
|
|
1085 -2.9871562 -1.7994654 -1.8031687
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.80316874696465
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1085 -2.9871562 -1.8031687 -1.8031687
|
|
1086 -2.9871562 -1.8031687 -1.7823823
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1086 -2.9871562 -1.8031687 -1.7823823
|
|
1087 -2.9871562 -1.8031687 -1.7993752
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1087 -2.9871562 -1.8031687 -1.7993752
|
|
1088 -2.9871562 -1.8031687 -1.7869818
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1088 -2.9871562 -1.8031687 -1.7869818
|
|
1089 -2.9871562 -1.8031687 -1.7676533
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1089 -2.9871562 -1.8031687 -1.7676533
|
|
1090 -2.9871562 -1.8031687 -1.7762387
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1090 -2.9871562 -1.8031687 -1.7762387
|
|
1091 -2.9871562 -1.8031687 -1.7943119
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1091 -2.9871562 -1.8031687 -1.7943119
|
|
1092 -2.9871562 -1.8031687 -1.7953616
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1092 -2.9871562 -1.8031687 -1.7953616
|
|
1093 -2.9871562 -1.8031687 -1.7908103
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1093 -2.9871562 -1.8031687 -1.7908103
|
|
1094 -2.9871562 -1.8031687 -1.7250588
|
|
Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1094 -2.9871562 -1.8031687 -1.7250588
|
|
1095 -2.9871562 -1.8031687 -1.8033367
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.80333666666303
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1095 -2.9871562 -1.8033367 -1.8033367
|
|
1096 -2.9871562 -1.8033367 -1.7576245
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1096 -2.9871562 -1.8033367 -1.7576245
|
|
1097 -2.9871562 -1.8033367 -1.7997729
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1097 -2.9871562 -1.8033367 -1.7997729
|
|
1098 -2.9871562 -1.8033367 -1.761963
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1098 -2.9871562 -1.8033367 -1.761963
|
|
1099 -2.9871562 -1.8033367 -1.7773124
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1099 -2.9871562 -1.8033367 -1.7773124
|
|
1100 -2.9871562 -1.8033367 -1.7215684
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1100 -2.9871562 -1.8033367 -1.7215684
|
|
1101 -2.9871562 -1.8033367 -1.7833831
|
|
Loop time of 4.50611e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1101 -2.9871562 -1.8033367 -1.7833831
|
|
1102 -2.9871562 -1.8033367 -1.8077953
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.80779534337952
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1102 -2.9871562 -1.8077953 -1.8077953
|
|
1103 -2.9871562 -1.8077953 -1.8060563
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1103 -2.9871562 -1.8077953 -1.8060563
|
|
1104 -2.9871562 -1.8077953 -1.7988855
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1104 -2.9871562 -1.8077953 -1.7988855
|
|
1105 -2.9871562 -1.8077953 -1.7752998
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1105 -2.9871562 -1.8077953 -1.7752998
|
|
1106 -2.9871562 -1.8077953 -1.8052614
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1106 -2.9871562 -1.8077953 -1.8052614
|
|
1107 -2.9871562 -1.8077953 -1.7674437
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1107 -2.9871562 -1.8077953 -1.7674437
|
|
1108 -2.9871562 -1.8077953 -1.8211646
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.8211645631476
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1108 -2.9871562 -1.8211646 -1.8211646
|
|
1109 -2.9871562 -1.8211646 -1.7735975
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1109 -2.9871562 -1.8211646 -1.7735975
|
|
1110 -2.9871562 -1.8211646 -1.7706499
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1110 -2.9871562 -1.8211646 -1.7706499
|
|
1111 -2.9871562 -1.8211646 -1.8006808
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1111 -2.9871562 -1.8211646 -1.8006808
|
|
1112 -2.9871562 -1.8211646 -1.8243374
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.82433736047846
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1112 -2.9871562 -1.8243374 -1.8243374
|
|
1113 -2.9871562 -1.8243374 -1.8247047
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.82470471814995
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1113 -2.9871562 -1.8247047 -1.8247047
|
|
1114 -2.9871562 -1.8247047 -1.8004819
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1114 -2.9871562 -1.8247047 -1.8004819
|
|
1115 -2.9871562 -1.8247047 -1.7387973
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1115 -2.9871562 -1.8247047 -1.7387973
|
|
1116 -2.9871562 -1.8247047 -1.8072664
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1116 -2.9871562 -1.8247047 -1.8072664
|
|
1117 -2.9871562 -1.8247047 -1.8267535
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.82675347055978
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1117 -2.9871562 -1.8267535 -1.8267535
|
|
1118 -2.9871562 -1.8267535 -1.8092677
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1118 -2.9871562 -1.8267535 -1.8092677
|
|
1119 -2.9871562 -1.8267535 -1.7742031
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1119 -2.9871562 -1.8267535 -1.7742031
|
|
1120 -2.9871562 -1.8267535 -1.7874858
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1120 -2.9871562 -1.8267535 -1.7874858
|
|
1121 -2.9871562 -1.8267535 -1.799004
|
|
Loop time of 8.89301e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1121 -2.9871562 -1.8267535 -1.799004
|
|
1122 -2.9871562 -1.8267535 -1.7958705
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1122 -2.9871562 -1.8267535 -1.7958705
|
|
1123 -2.9871562 -1.8267535 -1.8154067
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1123 -2.9871562 -1.8267535 -1.8154067
|
|
1124 -2.9871562 -1.8267535 -1.8693532
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.86935323913409
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1124 -2.9871562 -1.8693532 -1.8693532
|
|
1125 -2.9871562 -1.8693532 -1.8833593
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.88335933436732
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1125 -2.9871562 -1.8833593 -1.8833593
|
|
1126 -2.9871562 -1.8833593 -1.923034
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.92303400000952
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1126 -2.9871562 -1.923034 -1.923034
|
|
1127 -2.9871562 -1.923034 -1.9071502
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1127 -2.9871562 -1.923034 -1.9071502
|
|
1128 -2.9871562 -1.923034 -1.8909742
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1128 -2.9871562 -1.923034 -1.8909742
|
|
1129 -2.9871562 -1.923034 -1.6336685
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1129 -2.9871562 -1.923034 -1.6336685
|
|
1130 -2.9871562 -1.923034 -1.9228953
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.92289528661761
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1130 -2.9871562 -1.9228953 -1.9228953
|
|
1131 -2.9871562 -1.9228953 -1.8119228
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1131 -2.9871562 -1.9228953 -1.8119228
|
|
1132 -2.9871562 -1.9228953 -1.8996606
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1132 -2.9871562 -1.9228953 -1.8996606
|
|
1133 -2.9871562 -1.9228953 -1.9088782
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1133 -2.9871562 -1.9228953 -1.9088782
|
|
1134 -2.9871562 -1.9228953 -1.856476
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1134 -2.9871562 -1.9228953 -1.856476
|
|
1135 -2.9871562 -1.9228953 -1.9192379
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1135 -2.9871562 -1.9228953 -1.9192379
|
|
1136 -2.9871562 -1.9228953 -1.9025708
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1136 -2.9871562 -1.9228953 -1.9025708
|
|
1137 -2.9871562 -1.9228953 -1.8891129
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1137 -2.9871562 -1.9228953 -1.8891129
|
|
1138 -2.9871562 -1.9228953 -1.9191653
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1138 -2.9871562 -1.9228953 -1.9191653
|
|
1139 -2.9871562 -1.9228953 -1.9086549
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1139 -2.9871562 -1.9228953 -1.9086549
|
|
1140 -2.9871562 -1.9228953 -1.8933125
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1140 -2.9871562 -1.9228953 -1.8933125
|
|
1141 -2.9871562 -1.9228953 -1.8986451
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1141 -2.9871562 -1.9228953 -1.8986451
|
|
1142 -2.9871562 -1.9228953 -1.9208775
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1142 -2.9871562 -1.9228953 -1.9208775
|
|
1143 -2.9871562 -1.9228953 -1.8829155
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1143 -2.9871562 -1.9228953 -1.8829155
|
|
1144 -2.9871562 -1.9228953 -1.9222854
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.9222854016032
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1144 -2.9871562 -1.9222854 -1.9222854
|
|
1145 -2.9871562 -1.9222854 -1.9200216
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1145 -2.9871562 -1.9222854 -1.9200216
|
|
1146 -2.9871562 -1.9222854 -1.9204966
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1146 -2.9871562 -1.9222854 -1.9204966
|
|
1147 -2.9871562 -1.9222854 -1.8691409
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1147 -2.9871562 -1.9222854 -1.8691409
|
|
1148 -2.9871562 -1.9222854 -1.8726829
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1148 -2.9871562 -1.9222854 -1.8726829
|
|
1149 -2.9871562 -1.9222854 -1.9147602
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1149 -2.9871562 -1.9222854 -1.9147602
|
|
1150 -2.9871562 -1.9222854 -1.9053887
|
|
Loop time of 4.50611e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1150 -2.9871562 -1.9222854 -1.9053887
|
|
1151 -2.9871562 -1.9222854 -1.9192275
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1151 -2.9871562 -1.9222854 -1.9192275
|
|
1152 -2.9871562 -1.9222854 -1.8652134
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1152 -2.9871562 -1.9222854 -1.8652134
|
|
1153 -2.9871562 -1.9222854 -1.9261925
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.92619252306351
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1153 -2.9871562 -1.9261925 -1.9261925
|
|
1154 -2.9871562 -1.9261925 -1.9413175
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.94131753116316
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1154 -2.9871562 -1.9413175 -1.9413175
|
|
1155 -2.9871562 -1.9413175 -1.6380082
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1155 -2.9871562 -1.9413175 -1.6380082
|
|
1156 -2.9871562 -1.9413175 -1.9391735
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1156 -2.9871562 -1.9413175 -1.9391735
|
|
1157 -2.9871562 -1.9413175 -1.9253471
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1157 -2.9871562 -1.9413175 -1.9253471
|
|
1158 -2.9871562 -1.9413175 -1.9382331
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1158 -2.9871562 -1.9413175 -1.9382331
|
|
1159 -2.9871562 -1.9413175 -1.9290668
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1159 -2.9871562 -1.9413175 -1.9290668
|
|
1160 -2.9871562 -1.9413175 -1.5519241
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1160 -2.9871562 -1.9413175 -1.5519241
|
|
1161 -2.9871562 -1.9413175 -1.9380293
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1161 -2.9871562 -1.9413175 -1.9380293
|
|
1162 -2.9871562 -1.9413175 -1.9669465
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.9669465470182
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1162 -2.9871562 -1.9669465 -1.9669465
|
|
1163 -2.9871562 -1.9669465 -1.9425216
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1163 -2.9871562 -1.9669465 -1.9425216
|
|
1164 -2.9871562 -1.9669465 -1.9598869
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1164 -2.9871562 -1.9669465 -1.9598869
|
|
1165 -2.9871562 -1.9669465 -1.9257326
|
|
Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1165 -2.9871562 -1.9669465 -1.9257326
|
|
1166 -2.9871562 -1.9669465 -1.9581604
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1166 -2.9871562 -1.9669465 -1.9581604
|
|
1167 -2.9871562 -1.9669465 -1.9739826
|
|
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.97398255410218
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1167 -2.9871562 -1.9739826 -1.9739826
|
|
1168 -2.9871562 -1.9739826 -1.9492284
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1168 -2.9871562 -1.9739826 -1.9492284
|
|
1169 -2.9871562 -1.9739826 -1.9292963
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1169 -2.9871562 -1.9739826 -1.9292963
|
|
1170 -2.9871562 -1.9739826 -1.9525769
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1170 -2.9871562 -1.9739826 -1.9525769
|
|
1171 -2.9871562 -1.9739826 -1.9343375
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1171 -2.9871562 -1.9739826 -1.9343375
|
|
1172 -2.9871562 -1.9739826 -1.9504548
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1172 -2.9871562 -1.9739826 -1.9504548
|
|
1173 -2.9871562 -1.9739826 -1.9136602
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1173 -2.9871562 -1.9739826 -1.9136602
|
|
1174 -2.9871562 -1.9739826 -1.9591094
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1174 -2.9871562 -1.9739826 -1.9591094
|
|
1175 -2.9871562 -1.9739826 -1.9595519
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1175 -2.9871562 -1.9739826 -1.9595519
|
|
1176 -2.9871562 -1.9739826 -1.9820757
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.9820756851867
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1176 -2.9871562 -1.9820757 -1.9820757
|
|
1177 -2.9871562 -1.9820757 -1.9696685
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1177 -2.9871562 -1.9820757 -1.9696685
|
|
1178 -2.9871562 -1.9820757 -1.9267059
|
|
Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1178 -2.9871562 -1.9820757 -1.9267059
|
|
1179 -2.9871562 -1.9820757 -1.9456139
|
|
Loop time of 9.60827e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1179 -2.9871562 -1.9820757 -1.9456139
|
|
1180 -2.9871562 -1.9820757 -1.9763821
|
|
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1180 -2.9871562 -1.9820757 -1.9763821
|
|
1181 -2.9871562 -1.9820757 -1.951641
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1181 -2.9871562 -1.9820757 -1.951641
|
|
1182 -2.9871562 -1.9820757 -1.9708924
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1182 -2.9871562 -1.9820757 -1.9708924
|
|
1183 -2.9871562 -1.9820757 -1.9352073
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1183 -2.9871562 -1.9820757 -1.9352073
|
|
1184 -2.9871562 -1.9820757 -1.9737854
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1184 -2.9871562 -1.9820757 -1.9737854
|
|
1185 -2.9871562 -1.9820757 -1.9567896
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1185 -2.9871562 -1.9820757 -1.9567896
|
|
1186 -2.9871562 -1.9820757 -1.986409
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.98640901816903
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1186 -2.9871562 -1.986409 -1.986409
|
|
1187 -2.9871562 -1.986409 -1.7655841
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1187 -2.9871562 -1.986409 -1.7655841
|
|
1188 -2.9871562 -1.986409 -1.9607575
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1188 -2.9871562 -1.986409 -1.9607575
|
|
1189 -2.9871562 -1.986409 -1.9703116
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1189 -2.9871562 -1.986409 -1.9703116
|
|
1190 -2.9871562 -1.986409 -1.9506207
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1190 -2.9871562 -1.986409 -1.9506207
|
|
1191 -2.9871562 -1.986409 -1.9558069
|
|
Loop time of 6.29425e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1191 -2.9871562 -1.986409 -1.9558069
|
|
1192 -2.9871562 -1.986409 -1.9354286
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1192 -2.9871562 -1.986409 -1.9354286
|
|
1193 -2.9871562 -1.986409 -1.9789514
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1193 -2.9871562 -1.986409 -1.9789514
|
|
1194 -2.9871562 -1.986409 -1.9462291
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1194 -2.9871562 -1.986409 -1.9462291
|
|
1195 -2.9871562 -1.986409 -1.918235
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1195 -2.9871562 -1.986409 -1.918235
|
|
1196 -2.9871562 -1.986409 -1.9835519
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1196 -2.9871562 -1.986409 -1.9835519
|
|
1197 -2.9871562 -1.986409 -1.9822545
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1197 -2.9871562 -1.986409 -1.9822545
|
|
1198 -2.9871562 -1.986409 -1.9787342
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1198 -2.9871562 -1.986409 -1.9787342
|
|
1199 -2.9871562 -1.986409 -1.9687731
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1199 -2.9871562 -1.986409 -1.9687731
|
|
1200 -2.9871562 -1.986409 -1.9719154
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1200 -2.9871562 -1.986409 -1.9719154
|
|
1201 -2.9871562 -1.986409 -1.9827037
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1201 -2.9871562 -1.986409 -1.9827037
|
|
1202 -2.9871562 -1.986409 -1.9865702
|
|
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.98657024150563
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1202 -2.9871562 -1.9865702 -1.9865702
|
|
1203 -2.9871562 -1.9865702 -1.9627347
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1203 -2.9871562 -1.9865702 -1.9627347
|
|
1204 -2.9871562 -1.9865702 -1.966607
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1204 -2.9871562 -1.9865702 -1.966607
|
|
1205 -2.9871562 -1.9865702 -1.9819855
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1205 -2.9871562 -1.9865702 -1.9819855
|
|
1206 -2.9871562 -1.9865702 -1.9277564
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1206 -2.9871562 -1.9865702 -1.9277564
|
|
1207 -2.9871562 -1.9865702 -1.940996
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1207 -2.9871562 -1.9865702 -1.940996
|
|
1208 -2.9871562 -1.9865702 -1.9709772
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1208 -2.9871562 -1.9865702 -1.9709772
|
|
1209 -2.9871562 -1.9865702 -1.9781835
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1209 -2.9871562 -1.9865702 -1.9781835
|
|
1210 -2.9871562 -1.9865702 -1.9729365
|
|
Loop time of 4.88758e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1210 -2.9871562 -1.9865702 -1.9729365
|
|
1211 -2.9871562 -1.9865702 -1.9791106
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1211 -2.9871562 -1.9865702 -1.9791106
|
|
1212 -2.9871562 -1.9865702 -1.9630469
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1212 -2.9871562 -1.9865702 -1.9630469
|
|
1213 -2.9871562 -1.9865702 -1.96114
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1213 -2.9871562 -1.9865702 -1.96114
|
|
1214 -2.9871562 -1.9865702 -1.9715882
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1214 -2.9871562 -1.9865702 -1.9715882
|
|
1215 -2.9871562 -1.9865702 -1.9941775
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.99417752042876
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1215 -2.9871562 -1.9941775 -1.9941775
|
|
1216 -2.9871562 -1.9941775 -1.9724815
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1216 -2.9871562 -1.9941775 -1.9724815
|
|
1217 -2.9871562 -1.9941775 -1.9883915
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1217 -2.9871562 -1.9941775 -1.9883915
|
|
1218 -2.9871562 -1.9941775 -1.9295682
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1218 -2.9871562 -1.9941775 -1.9295682
|
|
1219 -2.9871562 -1.9941775 -1.8463611
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1219 -2.9871562 -1.9941775 -1.8463611
|
|
1220 -2.9871562 -1.9941775 -1.9937286
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1220 -2.9871562 -1.9941775 -1.9937286
|
|
1221 -2.9871562 -1.9941775 -1.8989884
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1221 -2.9871562 -1.9941775 -1.8989884
|
|
1222 -2.9871562 -1.9941775 -1.9925097
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1222 -2.9871562 -1.9941775 -1.9925097
|
|
1223 -2.9871562 -1.9941775 -1.9970551
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -1.99705512281408
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1223 -2.9871562 -1.9970551 -1.9970551
|
|
1224 -2.9871562 -1.9970551 -1.9929327
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1224 -2.9871562 -1.9970551 -1.9929327
|
|
1225 -2.9871562 -1.9970551 -1.9779053
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1225 -2.9871562 -1.9970551 -1.9779053
|
|
1226 -2.9871562 -1.9970551 -1.9540236
|
|
Loop time of 4.98295e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1226 -2.9871562 -1.9970551 -1.9540236
|
|
1227 -2.9871562 -1.9970551 -1.9889564
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1227 -2.9871562 -1.9970551 -1.9889564
|
|
1228 -2.9871562 -1.9970551 -1.9641574
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1228 -2.9871562 -1.9970551 -1.9641574
|
|
1229 -2.9871562 -1.9970551 -2.001982
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.00198197114296
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1229 -2.9871562 -2.001982 -2.001982
|
|
1230 -2.9871562 -2.001982 -1.9887793
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1230 -2.9871562 -2.001982 -1.9887793
|
|
1231 -2.9871562 -2.001982 -1.9680826
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1231 -2.9871562 -2.001982 -1.9680826
|
|
1232 -2.9871562 -2.001982 -1.979692
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1232 -2.9871562 -2.001982 -1.979692
|
|
1233 -2.9871562 -2.001982 -1.9941849
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1233 -2.9871562 -2.001982 -1.9941849
|
|
1234 -2.9871562 -2.001982 -1.9804738
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1234 -2.9871562 -2.001982 -1.9804738
|
|
1235 -2.9871562 -2.001982 -1.9687668
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1235 -2.9871562 -2.001982 -1.9687668
|
|
1236 -2.9871562 -2.001982 -1.9923463
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1236 -2.9871562 -2.001982 -1.9923463
|
|
1237 -2.9871562 -2.001982 -1.9622726
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1237 -2.9871562 -2.001982 -1.9622726
|
|
1238 -2.9871562 -2.001982 -1.9769579
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1238 -2.9871562 -2.001982 -1.9769579
|
|
1239 -2.9871562 -2.001982 -1.990287
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1239 -2.9871562 -2.001982 -1.990287
|
|
1240 -2.9871562 -2.001982 -2.0008289
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1240 -2.9871562 -2.001982 -2.0008289
|
|
1241 -2.9871562 -2.001982 -2.0036621
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.00366209938399
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1241 -2.9871562 -2.0036621 -2.0036621
|
|
1242 -2.9871562 -2.0036621 -1.9873823
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1242 -2.9871562 -2.0036621 -1.9873823
|
|
1243 -2.9871562 -2.0036621 -1.9942939
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1243 -2.9871562 -2.0036621 -1.9942939
|
|
1244 -2.9871562 -2.0036621 -1.9722407
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1244 -2.9871562 -2.0036621 -1.9722407
|
|
1245 -2.9871562 -2.0036621 -1.9919904
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1245 -2.9871562 -2.0036621 -1.9919904
|
|
1246 -2.9871562 -2.0036621 -1.9612311
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1246 -2.9871562 -2.0036621 -1.9612311
|
|
1247 -2.9871562 -2.0036621 -2.0030438
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1247 -2.9871562 -2.0036621 -2.0030438
|
|
1248 -2.9871562 -2.0036621 -1.98472
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1248 -2.9871562 -2.0036621 -1.98472
|
|
1249 -2.9871562 -2.0036621 -2.0023731
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1249 -2.9871562 -2.0036621 -2.0023731
|
|
1250 -2.9871562 -2.0036621 -2.0035403
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.0035402979772
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1250 -2.9871562 -2.0035403 -2.0035403
|
|
1251 -2.9871562 -2.0035403 -2.0006976
|
|
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1251 -2.9871562 -2.0035403 -2.0006976
|
|
1252 -2.9871562 -2.0035403 -2.0072185
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.00721853625147
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1252 -2.9871562 -2.0072185 -2.0072185
|
|
1253 -2.9871562 -2.0072185 -2.0098198
|
|
Loop time of 0.0172641 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.00981982397621
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1253 -2.9871562 -2.0098198 -2.0098198
|
|
1254 -2.9871562 -2.0098198 -2.0038362
|
|
Loop time of 4.07696e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1254 -2.9871562 -2.0098198 -2.0038362
|
|
1255 -2.9871562 -2.0098198 -2.0013547
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1255 -2.9871562 -2.0098198 -2.0013547
|
|
1256 -2.9871562 -2.0098198 -1.9812413
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1256 -2.9871562 -2.0098198 -1.9812413
|
|
1257 -2.9871562 -2.0098198 -1.9922633
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1257 -2.9871562 -2.0098198 -1.9922633
|
|
1258 -2.9871562 -2.0098198 -1.9925037
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1258 -2.9871562 -2.0098198 -1.9925037
|
|
1259 -2.9871562 -2.0098198 -1.9967567
|
|
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1259 -2.9871562 -2.0098198 -1.9967567
|
|
1260 -2.9871562 -2.0098198 -2.0083275
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1260 -2.9871562 -2.0098198 -2.0083275
|
|
1261 -2.9871562 -2.0098198 -1.9976149
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1261 -2.9871562 -2.0098198 -1.9976149
|
|
1262 -2.9871562 -2.0098198 -1.9293317
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1262 -2.9871562 -2.0098198 -1.9293317
|
|
1263 -2.9871562 -2.0098198 -2.0637916
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.06379156077286
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1263 -2.9871562 -2.0637916 -2.0637916
|
|
1264 -2.9871562 -2.0637916 -2.0465231
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1264 -2.9871562 -2.0637916 -2.0465231
|
|
1265 -2.9871562 -2.0637916 -2.0678898
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.06788981763691
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1265 -2.9871562 -2.0678898 -2.0678898
|
|
1266 -2.9871562 -2.0678898 -2.0517667
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1266 -2.9871562 -2.0678898 -2.0517667
|
|
1267 -2.9871562 -2.0678898 -2.056741
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1267 -2.9871562 -2.0678898 -2.056741
|
|
1268 -2.9871562 -2.0678898 -2.0662842
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1268 -2.9871562 -2.0678898 -2.0662842
|
|
1269 -2.9871562 -2.0678898 -1.9889625
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1269 -2.9871562 -2.0678898 -1.9889625
|
|
1270 -2.9871562 -2.0678898 -2.0428326
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1270 -2.9871562 -2.0678898 -2.0428326
|
|
1271 -2.9871562 -2.0678898 -1.9999
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1271 -2.9871562 -2.0678898 -1.9999
|
|
1272 -2.9871562 -2.0678898 -2.0691106
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.0691106490138
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1272 -2.9871562 -2.0691106 -2.0691106
|
|
1273 -2.9871562 -2.0691106 -2.0689341
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.06893410740386
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1273 -2.9871562 -2.0689341 -2.0689341
|
|
1274 -2.9871562 -2.0689341 -2.0522406
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1274 -2.9871562 -2.0689341 -2.0522406
|
|
1275 -2.9871562 -2.0689341 -2.0307117
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1275 -2.9871562 -2.0689341 -2.0307117
|
|
1276 -2.9871562 -2.0689341 -2.0091848
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1276 -2.9871562 -2.0689341 -2.0091848
|
|
1277 -2.9871562 -2.0689341 -2.0535594
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1277 -2.9871562 -2.0689341 -2.0535594
|
|
1278 -2.9871562 -2.0689341 -2.0041607
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1278 -2.9871562 -2.0689341 -2.0041607
|
|
1279 -2.9871562 -2.0689341 -2.0671941
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1279 -2.9871562 -2.0689341 -2.0671941
|
|
1280 -2.9871562 -2.0689341 -2.0153184
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1280 -2.9871562 -2.0689341 -2.0153184
|
|
1281 -2.9871562 -2.0689341 -2.0673071
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1281 -2.9871562 -2.0689341 -2.0673071
|
|
1282 -2.9871562 -2.0689341 -2.0710961
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.07109608221618
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1282 -2.9871562 -2.0710961 -2.0710961
|
|
1283 -2.9871562 -2.0710961 -2.0509471
|
|
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1283 -2.9871562 -2.0710961 -2.0509471
|
|
1284 -2.9871562 -2.0710961 -2.0599115
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1284 -2.9871562 -2.0710961 -2.0599115
|
|
1285 -2.9871562 -2.0710961 -2.0697623
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1285 -2.9871562 -2.0710961 -2.0697623
|
|
1286 -2.9871562 -2.0710961 -2.0628367
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1286 -2.9871562 -2.0710961 -2.0628367
|
|
1287 -2.9871562 -2.0710961 -2.0545655
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1287 -2.9871562 -2.0710961 -2.0545655
|
|
1288 -2.9871562 -2.0710961 -2.0698189
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1288 -2.9871562 -2.0710961 -2.0698189
|
|
1289 -2.9871562 -2.0710961 -2.0335776
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1289 -2.9871562 -2.0710961 -2.0335776
|
|
1290 -2.9871562 -2.0710961 -2.0531417
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1290 -2.9871562 -2.0710961 -2.0531417
|
|
1291 -2.9871562 -2.0710961 -2.0662251
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1291 -2.9871562 -2.0710961 -2.0662251
|
|
1292 -2.9871562 -2.0710961 -2.0492919
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1292 -2.9871562 -2.0710961 -2.0492919
|
|
1293 -2.9871562 -2.0710961 -2.0460567
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1293 -2.9871562 -2.0710961 -2.0460567
|
|
1294 -2.9871562 -2.0710961 -2.0779205
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.07792048818847
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1294 -2.9871562 -2.0779205 -2.0779205
|
|
1295 -2.9871562 -2.0779205 -2.0809942
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.08099423878781
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1295 -2.9871562 -2.0809942 -2.0809942
|
|
1296 -2.9871562 -2.0809942 -2.0754235
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1296 -2.9871562 -2.0809942 -2.0754235
|
|
1297 -2.9871562 -2.0809942 -2.0629923
|
|
Loop time of 0.000105143 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1297 -2.9871562 -2.0809942 -2.0629923
|
|
1298 -2.9871562 -2.0809942 -2.0518863
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1298 -2.9871562 -2.0809942 -2.0518863
|
|
1299 -2.9871562 -2.0809942 -2.0112383
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1299 -2.9871562 -2.0809942 -2.0112383
|
|
1300 -2.9871562 -2.0809942 -2.0635294
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1300 -2.9871562 -2.0809942 -2.0635294
|
|
1301 -2.9871562 -2.0809942 -2.0776503
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1301 -2.9871562 -2.0809942 -2.0776503
|
|
1302 -2.9871562 -2.0809942 -2.0460386
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1302 -2.9871562 -2.0809942 -2.0460386
|
|
1303 -2.9871562 -2.0809942 -2.0772576
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1303 -2.9871562 -2.0809942 -2.0772576
|
|
1304 -2.9871562 -2.0809942 -2.0486632
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1304 -2.9871562 -2.0809942 -2.0486632
|
|
1305 -2.9871562 -2.0809942 -2.0456577
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1305 -2.9871562 -2.0809942 -2.0456577
|
|
1306 -2.9871562 -2.0809942 -2.065563
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1306 -2.9871562 -2.0809942 -2.065563
|
|
1307 -2.9871562 -2.0809942 -1.9984095
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1307 -2.9871562 -2.0809942 -1.9984095
|
|
1308 -2.9871562 -2.0809942 -2.0753267
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1308 -2.9871562 -2.0809942 -2.0753267
|
|
1309 -2.9871562 -2.0809942 -2.0661728
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1309 -2.9871562 -2.0809942 -2.0661728
|
|
1310 -2.9871562 -2.0809942 -2.0689015
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1310 -2.9871562 -2.0809942 -2.0689015
|
|
1311 -2.9871562 -2.0809942 -2.0470962
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1311 -2.9871562 -2.0809942 -2.0470962
|
|
1312 -2.9871562 -2.0809942 -2.0830552
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.08305524340212
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1312 -2.9871562 -2.0830552 -2.0830552
|
|
1313 -2.9871562 -2.0830552 -2.031303
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1313 -2.9871562 -2.0830552 -2.031303
|
|
1314 -2.9871562 -2.0830552 -2.0611601
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1314 -2.9871562 -2.0830552 -2.0611601
|
|
1315 -2.9871562 -2.0830552 -2.0714787
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1315 -2.9871562 -2.0830552 -2.0714787
|
|
1316 -2.9871562 -2.0830552 -2.0338161
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1316 -2.9871562 -2.0830552 -2.0338161
|
|
1317 -2.9871562 -2.0830552 -2.048957
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1317 -2.9871562 -2.0830552 -2.048957
|
|
1318 -2.9871562 -2.0830552 -2.0551266
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1318 -2.9871562 -2.0830552 -2.0551266
|
|
1319 -2.9871562 -2.0830552 -2.0727704
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1319 -2.9871562 -2.0830552 -2.0727704
|
|
1320 -2.9871562 -2.0830552 -2.061117
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1320 -2.9871562 -2.0830552 -2.061117
|
|
1321 -2.9871562 -2.0830552 -2.0860986
|
|
Loop time of 4.81606e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.08609860102163
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1321 -2.9871562 -2.0860986 -2.0860986
|
|
1322 -2.9871562 -2.0860986 -2.0749564
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1322 -2.9871562 -2.0860986 -2.0749564
|
|
1323 -2.9871562 -2.0860986 -2.0861959
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.08619593841938
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1323 -2.9871562 -2.0861959 -2.0861959
|
|
1324 -2.9871562 -2.0861959 -2.0613921
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1324 -2.9871562 -2.0861959 -2.0613921
|
|
1325 -2.9871562 -2.0861959 -2.0812791
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1325 -2.9871562 -2.0861959 -2.0812791
|
|
1326 -2.9871562 -2.0861959 -2.0825157
|
|
Loop time of 7.9155e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1326 -2.9871562 -2.0861959 -2.0825157
|
|
1327 -2.9871562 -2.0861959 -1.9530553
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1327 -2.9871562 -2.0861959 -1.9530553
|
|
1328 -2.9871562 -2.0861959 -2.0575352
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1328 -2.9871562 -2.0861959 -2.0575352
|
|
1329 -2.9871562 -2.0861959 -2.0721402
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1329 -2.9871562 -2.0861959 -2.0721402
|
|
1330 -2.9871562 -2.0861959 -2.069108
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1330 -2.9871562 -2.0861959 -2.069108
|
|
1331 -2.9871562 -2.0861959 -2.0625332
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1331 -2.9871562 -2.0861959 -2.0625332
|
|
1332 -2.9871562 -2.0861959 -2.0863162
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.08631616705812
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1332 -2.9871562 -2.0863162 -2.0863162
|
|
1333 -2.9871562 -2.0863162 -2.0807427
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1333 -2.9871562 -2.0863162 -2.0807427
|
|
1334 -2.9871562 -2.0863162 -2.0608048
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1334 -2.9871562 -2.0863162 -2.0608048
|
|
1335 -2.9871562 -2.0863162 -2.0790611
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1335 -2.9871562 -2.0863162 -2.0790611
|
|
1336 -2.9871562 -2.0863162 -2.0165648
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1336 -2.9871562 -2.0863162 -2.0165648
|
|
1337 -2.9871562 -2.0863162 -2.0778635
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1337 -2.9871562 -2.0863162 -2.0778635
|
|
1338 -2.9871562 -2.0863162 -2.0659364
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1338 -2.9871562 -2.0863162 -2.0659364
|
|
1339 -2.9871562 -2.0863162 -2.0035351
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1339 -2.9871562 -2.0863162 -2.0035351
|
|
1340 -2.9871562 -2.0863162 -2.0307665
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1340 -2.9871562 -2.0863162 -2.0307665
|
|
1341 -2.9871562 -2.0863162 -2.0578183
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1341 -2.9871562 -2.0863162 -2.0578183
|
|
1342 -2.9871562 -2.0863162 -2.0700716
|
|
Loop time of 9.60827e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1342 -2.9871562 -2.0863162 -2.0700716
|
|
1343 -2.9871562 -2.0863162 -2.0940705
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.0940705117459
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1343 -2.9871562 -2.0940705 -2.0940705
|
|
1344 -2.9871562 -2.0940705 -2.0739749
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1344 -2.9871562 -2.0940705 -2.0739749
|
|
1345 -2.9871562 -2.0940705 -2.1007234
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.10072342018532
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1345 -2.9871562 -2.1007234 -2.1007234
|
|
1346 -2.9871562 -2.1007234 -2.0206917
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1346 -2.9871562 -2.1007234 -2.0206917
|
|
1347 -2.9871562 -2.1007234 -2.0938822
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1347 -2.9871562 -2.1007234 -2.0938822
|
|
1348 -2.9871562 -2.1007234 -2.0824064
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1348 -2.9871562 -2.1007234 -2.0824064
|
|
1349 -2.9871562 -2.1007234 -2.088384
|
|
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1349 -2.9871562 -2.1007234 -2.088384
|
|
1350 -2.9871562 -2.1007234 -2.0506567
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1350 -2.9871562 -2.1007234 -2.0506567
|
|
1351 -2.9871562 -2.1007234 -1.6853046
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1351 -2.9871562 -2.1007234 -1.6853046
|
|
1352 -2.9871562 -2.1007234 -2.0957351
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1352 -2.9871562 -2.1007234 -2.0957351
|
|
1353 -2.9871562 -2.1007234 -2.0869819
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1353 -2.9871562 -2.1007234 -2.0869819
|
|
1354 -2.9871562 -2.1007234 -2.075356
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1354 -2.9871562 -2.1007234 -2.075356
|
|
1355 -2.9871562 -2.1007234 -2.0932599
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1355 -2.9871562 -2.1007234 -2.0932599
|
|
1356 -2.9871562 -2.1007234 -2.0452171
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1356 -2.9871562 -2.1007234 -2.0452171
|
|
1357 -2.9871562 -2.1007234 -2.0783265
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1357 -2.9871562 -2.1007234 -2.0783265
|
|
1358 -2.9871562 -2.1007234 -2.0655408
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1358 -2.9871562 -2.1007234 -2.0655408
|
|
1359 -2.9871562 -2.1007234 -2.0873055
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1359 -2.9871562 -2.1007234 -2.0873055
|
|
1360 -2.9871562 -2.1007234 -2.069117
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1360 -2.9871562 -2.1007234 -2.069117
|
|
1361 -2.9871562 -2.1007234 -2.0994604
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1361 -2.9871562 -2.1007234 -2.0994604
|
|
1362 -2.9871562 -2.1007234 -2.0896133
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1362 -2.9871562 -2.1007234 -2.0896133
|
|
1363 -2.9871562 -2.1007234 -2.0635344
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1363 -2.9871562 -2.1007234 -2.0635344
|
|
1364 -2.9871562 -2.1007234 -2.0748989
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1364 -2.9871562 -2.1007234 -2.0748989
|
|
1365 -2.9871562 -2.1007234 -2.0684121
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1365 -2.9871562 -2.1007234 -2.0684121
|
|
1366 -2.9871562 -2.1007234 -2.0564086
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1366 -2.9871562 -2.1007234 -2.0564086
|
|
1367 -2.9871562 -2.1007234 -2.0618761
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1367 -2.9871562 -2.1007234 -2.0618761
|
|
1368 -2.9871562 -2.1007234 -1.9998428
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1368 -2.9871562 -2.1007234 -1.9998428
|
|
1369 -2.9871562 -2.1007234 -2.0944153
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1369 -2.9871562 -2.1007234 -2.0944153
|
|
1370 -2.9871562 -2.1007234 -2.1096073
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.10960729381962
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1370 -2.9871562 -2.1096073 -2.1096073
|
|
1371 -2.9871562 -2.1096073 -2.15137
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.15137001741302
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1371 -2.9871562 -2.15137 -2.15137
|
|
1372 -2.9871562 -2.15137 -2.1049976
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1372 -2.9871562 -2.15137 -2.1049976
|
|
1373 -2.9871562 -2.15137 -2.1168656
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1373 -2.9871562 -2.15137 -2.1168656
|
|
1374 -2.9871562 -2.15137 -2.1219838
|
|
Loop time of 8.4877e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1374 -2.9871562 -2.15137 -2.1219838
|
|
1375 -2.9871562 -2.15137 -2.1345594
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1375 -2.9871562 -2.15137 -2.1345594
|
|
1376 -2.9871562 -2.15137 -2.0793508
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1376 -2.9871562 -2.15137 -2.0793508
|
|
1377 -2.9871562 -2.15137 -2.1359954
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1377 -2.9871562 -2.15137 -2.1359954
|
|
1378 -2.9871562 -2.15137 -2.1193452
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1378 -2.9871562 -2.15137 -2.1193452
|
|
1379 -2.9871562 -2.15137 -2.0662328
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1379 -2.9871562 -2.15137 -2.0662328
|
|
1380 -2.9871562 -2.15137 -2.1515066
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.15150660455084
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1380 -2.9871562 -2.1515066 -2.1515066
|
|
1381 -2.9871562 -2.1515066 -2.1529762
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.15297621382277
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1381 -2.9871562 -2.1529762 -2.1529762
|
|
1382 -2.9871562 -2.1529762 -2.1516054
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1382 -2.9871562 -2.1529762 -2.1516054
|
|
1383 -2.9871562 -2.1529762 -2.1154379
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1383 -2.9871562 -2.1529762 -2.1154379
|
|
1384 -2.9871562 -2.1529762 -2.1493555
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1384 -2.9871562 -2.1529762 -2.1493555
|
|
1385 -2.9871562 -2.1529762 -2.1535905
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.15359050783403
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1385 -2.9871562 -2.1535905 -2.1535905
|
|
1386 -2.9871562 -2.1535905 -2.1537737
|
|
Loop time of 4.29153e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.15377371561381
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1386 -2.9871562 -2.1537737 -2.1537737
|
|
1387 -2.9871562 -2.1537737 -2.1237999
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1387 -2.9871562 -2.1537737 -2.1237999
|
|
1388 -2.9871562 -2.1537737 -2.1450079
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1388 -2.9871562 -2.1537737 -2.1450079
|
|
1389 -2.9871562 -2.1537737 -2.1514497
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1389 -2.9871562 -2.1537737 -2.1514497
|
|
1390 -2.9871562 -2.1537737 -2.1376451
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1390 -2.9871562 -2.1537737 -2.1376451
|
|
1391 -2.9871562 -2.1537737 -2.1548924
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.15489238963833
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1391 -2.9871562 -2.1548924 -2.1548924
|
|
1392 -2.9871562 -2.1548924 -2.1406898
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1392 -2.9871562 -2.1548924 -2.1406898
|
|
1393 -2.9871562 -2.1548924 -2.0985291
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1393 -2.9871562 -2.1548924 -2.0985291
|
|
1394 -2.9871562 -2.1548924 -2.13006
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1394 -2.9871562 -2.1548924 -2.13006
|
|
1395 -2.9871562 -2.1548924 -2.1299551
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1395 -2.9871562 -2.1548924 -2.1299551
|
|
1396 -2.9871562 -2.1548924 -2.1447388
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1396 -2.9871562 -2.1548924 -2.1447388
|
|
1397 -2.9871562 -2.1548924 -1.9510517
|
|
Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1397 -2.9871562 -2.1548924 -1.9510517
|
|
1398 -2.9871562 -2.1548924 -2.1591503
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.15915028480665
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1398 -2.9871562 -2.1591503 -2.1591503
|
|
1399 -2.9871562 -2.1591503 -2.1586749
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1399 -2.9871562 -2.1591503 -2.1586749
|
|
1400 -2.9871562 -2.1591503 -2.120973
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1400 -2.9871562 -2.1591503 -2.120973
|
|
1401 -2.9871562 -2.1591503 -2.1420166
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1401 -2.9871562 -2.1591503 -2.1420166
|
|
1402 -2.9871562 -2.1591503 -2.1433198
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1402 -2.9871562 -2.1591503 -2.1433198
|
|
1403 -2.9871562 -2.1591503 -2.1060681
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1403 -2.9871562 -2.1591503 -2.1060681
|
|
1404 -2.9871562 -2.1591503 -2.1583783
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1404 -2.9871562 -2.1591503 -2.1583783
|
|
1405 -2.9871562 -2.1591503 -2.1564133
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1405 -2.9871562 -2.1591503 -2.1564133
|
|
1406 -2.9871562 -2.1591503 -2.1566871
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1406 -2.9871562 -2.1591503 -2.1566871
|
|
1407 -2.9871562 -2.1591503 -2.1488191
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1407 -2.9871562 -2.1591503 -2.1488191
|
|
1408 -2.9871562 -2.1591503 -2.1382674
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1408 -2.9871562 -2.1591503 -2.1382674
|
|
1409 -2.9871562 -2.1591503 -2.1329065
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1409 -2.9871562 -2.1591503 -2.1329065
|
|
1410 -2.9871562 -2.1591503 -2.1544569
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1410 -2.9871562 -2.1591503 -2.1544569
|
|
1411 -2.9871562 -2.1591503 -2.1572524
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1411 -2.9871562 -2.1591503 -2.1572524
|
|
1412 -2.9871562 -2.1591503 -2.1460525
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1412 -2.9871562 -2.1591503 -2.1460525
|
|
1413 -2.9871562 -2.1591503 -2.1414821
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1413 -2.9871562 -2.1591503 -2.1414821
|
|
1414 -2.9871562 -2.1591503 -2.1481443
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1414 -2.9871562 -2.1591503 -2.1481443
|
|
1415 -2.9871562 -2.1591503 -2.1306089
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1415 -2.9871562 -2.1591503 -2.1306089
|
|
1416 -2.9871562 -2.1591503 -2.152268
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1416 -2.9871562 -2.1591503 -2.152268
|
|
1417 -2.9871562 -2.1591503 -2.0322212
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1417 -2.9871562 -2.1591503 -2.0322212
|
|
1418 -2.9871562 -2.1591503 -2.1584777
|
|
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.15847770095056
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1418 -2.9871562 -2.1584777 -2.1584777
|
|
1419 -2.9871562 -2.1584777 -2.1630724
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.16307244742315
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1419 -2.9871562 -2.1630724 -2.1630724
|
|
1420 -2.9871562 -2.1630724 -2.146894
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1420 -2.9871562 -2.1630724 -2.146894
|
|
1421 -2.9871562 -2.1630724 -2.1674019
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.16740187272561
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1421 -2.9871562 -2.1674019 -2.1674019
|
|
1422 -2.9871562 -2.1674019 -2.0977636
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1422 -2.9871562 -2.1674019 -2.0977636
|
|
1423 -2.9871562 -2.1674019 -2.1676082
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.16760824743257
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1423 -2.9871562 -2.1676082 -2.1676082
|
|
1424 -2.9871562 -2.1676082 -2.1515362
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1424 -2.9871562 -2.1676082 -2.1515362
|
|
1425 -2.9871562 -2.1676082 -2.154297
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1425 -2.9871562 -2.1676082 -2.154297
|
|
1426 -2.9871562 -2.1676082 -2.1521026
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1426 -2.9871562 -2.1676082 -2.1521026
|
|
1427 -2.9871562 -2.1676082 -2.1254086
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1427 -2.9871562 -2.1676082 -2.1254086
|
|
1428 -2.9871562 -2.1676082 -2.1409251
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1428 -2.9871562 -2.1676082 -2.1409251
|
|
1429 -2.9871562 -2.1676082 -2.0967828
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1429 -2.9871562 -2.1676082 -2.0967828
|
|
1430 -2.9871562 -2.1676082 -2.0921487
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1430 -2.9871562 -2.1676082 -2.0921487
|
|
1431 -2.9871562 -2.1676082 -2.1493207
|
|
Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1431 -2.9871562 -2.1676082 -2.1493207
|
|
1432 -2.9871562 -2.1676082 -2.1662211
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1432 -2.9871562 -2.1676082 -2.1662211
|
|
1433 -2.9871562 -2.1676082 -2.168882
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.16888202674417
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1433 -2.9871562 -2.168882 -2.168882
|
|
1434 -2.9871562 -2.168882 -2.1691954
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.16919542862808
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1434 -2.9871562 -2.1691954 -2.1691954
|
|
1435 -2.9871562 -2.1691954 -2.1441318
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1435 -2.9871562 -2.1691954 -2.1441318
|
|
1436 -2.9871562 -2.1691954 -2.1611694
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1436 -2.9871562 -2.1691954 -2.1611694
|
|
1437 -2.9871562 -2.1691954 -2.1702886
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.17028860439944
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1437 -2.9871562 -2.1702886 -2.1702886
|
|
1438 -2.9871562 -2.1702886 -2.1558726
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1438 -2.9871562 -2.1702886 -2.1558726
|
|
1439 -2.9871562 -2.1702886 -2.1503763
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1439 -2.9871562 -2.1702886 -2.1503763
|
|
1440 -2.9871562 -2.1702886 -2.1629447
|
|
Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1440 -2.9871562 -2.1702886 -2.1629447
|
|
1441 -2.9871562 -2.1702886 -2.1291556
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1441 -2.9871562 -2.1702886 -2.1291556
|
|
1442 -2.9871562 -2.1702886 -2.2003419
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.20034190420061
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1442 -2.9871562 -2.2003419 -2.2003419
|
|
1443 -2.9871562 -2.2003419 -2.1356697
|
|
Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1443 -2.9871562 -2.2003419 -2.1356697
|
|
1444 -2.9871562 -2.2003419 -2.1980347
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1444 -2.9871562 -2.2003419 -2.1980347
|
|
1445 -2.9871562 -2.2003419 -2.1820131
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1445 -2.9871562 -2.2003419 -2.1820131
|
|
1446 -2.9871562 -2.2003419 -2.1895644
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1446 -2.9871562 -2.2003419 -2.1895644
|
|
1447 -2.9871562 -2.2003419 -2.1817843
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1447 -2.9871562 -2.2003419 -2.1817843
|
|
1448 -2.9871562 -2.2003419 -2.1968941
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1448 -2.9871562 -2.2003419 -2.1968941
|
|
1449 -2.9871562 -2.2003419 -2.14253
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1449 -2.9871562 -2.2003419 -2.14253
|
|
1450 -2.9871562 -2.2003419 -2.1917695
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1450 -2.9871562 -2.2003419 -2.1917695
|
|
1451 -2.9871562 -2.2003419 -2.1996531
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.19965314205151
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1451 -2.9871562 -2.1996531 -2.1996531
|
|
1452 -2.9871562 -2.1996531 -2.1820613
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1452 -2.9871562 -2.1996531 -2.1820613
|
|
1453 -2.9871562 -2.1996531 -2.1885809
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1453 -2.9871562 -2.1996531 -2.1885809
|
|
1454 -2.9871562 -2.1996531 -2.179851
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1454 -2.9871562 -2.1996531 -2.179851
|
|
1455 -2.9871562 -2.1996531 -2.1657783
|
|
Loop time of 4.3869e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1455 -2.9871562 -2.1996531 -2.1657783
|
|
1456 -2.9871562 -2.1996531 -2.2082128
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.2082128346088
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1456 -2.9871562 -2.2082128 -2.2082128
|
|
1457 -2.9871562 -2.2082128 -2.1738724
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1457 -2.9871562 -2.2082128 -2.1738724
|
|
1458 -2.9871562 -2.2082128 -2.1839163
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1458 -2.9871562 -2.2082128 -2.1839163
|
|
1459 -2.9871562 -2.2082128 -2.1200162
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1459 -2.9871562 -2.2082128 -2.1200162
|
|
1460 -2.9871562 -2.2082128 -2.176923
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1460 -2.9871562 -2.2082128 -2.176923
|
|
1461 -2.9871562 -2.2082128 -2.2112041
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.21120412702643
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1461 -2.9871562 -2.2112041 -2.2112041
|
|
1462 -2.9871562 -2.2112041 -2.2289992
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.22899917717002
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1462 -2.9871562 -2.2289992 -2.2289992
|
|
1463 -2.9871562 -2.2289992 -2.200904
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1463 -2.9871562 -2.2289992 -2.200904
|
|
1464 -2.9871562 -2.2289992 -2.16055
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1464 -2.9871562 -2.2289992 -2.16055
|
|
1465 -2.9871562 -2.2289992 -2.2173875
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1465 -2.9871562 -2.2289992 -2.2173875
|
|
1466 -2.9871562 -2.2289992 -2.2117998
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1466 -2.9871562 -2.2289992 -2.2117998
|
|
1467 -2.9871562 -2.2289992 -2.2129279
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1467 -2.9871562 -2.2289992 -2.2129279
|
|
1468 -2.9871562 -2.2289992 -2.2044792
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1468 -2.9871562 -2.2289992 -2.2044792
|
|
1469 -2.9871562 -2.2289992 -2.2325045
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.23250446222782
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1469 -2.9871562 -2.2325045 -2.2325045
|
|
1470 -2.9871562 -2.2325045 -2.1604566
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1470 -2.9871562 -2.2325045 -2.1604566
|
|
1471 -2.9871562 -2.2325045 -2.2390369
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.23903693878357
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1471 -2.9871562 -2.2390369 -2.2390369
|
|
1472 -2.9871562 -2.2390369 -2.2342648
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1472 -2.9871562 -2.2390369 -2.2342648
|
|
1473 -2.9871562 -2.2390369 -2.2291897
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1473 -2.9871562 -2.2390369 -2.2291897
|
|
1474 -2.9871562 -2.2390369 -2.2522679
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.25226792787202
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1474 -2.9871562 -2.2522679 -2.2522679
|
|
1475 -2.9871562 -2.2522679 -2.2488733
|
|
Loop time of 5.19753e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1475 -2.9871562 -2.2522679 -2.2488733
|
|
1476 -2.9871562 -2.2522679 -2.1330594
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1476 -2.9871562 -2.2522679 -2.1330594
|
|
1477 -2.9871562 -2.2522679 -2.2445268
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1477 -2.9871562 -2.2522679 -2.2445268
|
|
1478 -2.9871562 -2.2522679 -2.2391497
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1478 -2.9871562 -2.2522679 -2.2391497
|
|
1479 -2.9871562 -2.2522679 -2.2456905
|
|
Loop time of 5.00679e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1479 -2.9871562 -2.2522679 -2.2456905
|
|
1480 -2.9871562 -2.2522679 -2.2462765
|
|
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1480 -2.9871562 -2.2522679 -2.2462765
|
|
1481 -2.9871562 -2.2522679 -2.2510422
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1481 -2.9871562 -2.2522679 -2.2510422
|
|
1482 -2.9871562 -2.2522679 -2.2220526
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1482 -2.9871562 -2.2522679 -2.2220526
|
|
1483 -2.9871562 -2.2522679 -2.2571958
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.2571958427262
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1483 -2.9871562 -2.2571958 -2.2571958
|
|
1484 -2.9871562 -2.2571958 -2.255697
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1484 -2.9871562 -2.2571958 -2.255697
|
|
1485 -2.9871562 -2.2571958 -2.242522
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1485 -2.9871562 -2.2571958 -2.242522
|
|
1486 -2.9871562 -2.2571958 -2.2540138
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1486 -2.9871562 -2.2571958 -2.2540138
|
|
1487 -2.9871562 -2.2571958 -2.2494705
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1487 -2.9871562 -2.2571958 -2.2494705
|
|
1488 -2.9871562 -2.2571958 -2.198615
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1488 -2.9871562 -2.2571958 -2.198615
|
|
1489 -2.9871562 -2.2571958 -2.2503039
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1489 -2.9871562 -2.2571958 -2.2503039
|
|
1490 -2.9871562 -2.2571958 -2.1784784
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1490 -2.9871562 -2.2571958 -2.1784784
|
|
1491 -2.9871562 -2.2571958 -2.2446106
|
|
Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1491 -2.9871562 -2.2571958 -2.2446106
|
|
1492 -2.9871562 -2.2571958 -2.250667
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1492 -2.9871562 -2.2571958 -2.250667
|
|
1493 -2.9871562 -2.2571958 -2.2063288
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1493 -2.9871562 -2.2571958 -2.2063288
|
|
1494 -2.9871562 -2.2571958 -2.2512348
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1494 -2.9871562 -2.2571958 -2.2512348
|
|
1495 -2.9871562 -2.2571958 -2.219539
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1495 -2.9871562 -2.2571958 -2.219539
|
|
1496 -2.9871562 -2.2571958 -2.2590758
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.25907583492403
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1496 -2.9871562 -2.2590758 -2.2590758
|
|
1497 -2.9871562 -2.2590758 -2.2398195
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1497 -2.9871562 -2.2590758 -2.2398195
|
|
1498 -2.9871562 -2.2590758 -2.2019516
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1498 -2.9871562 -2.2590758 -2.2019516
|
|
1499 -2.9871562 -2.2590758 -2.253744
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1499 -2.9871562 -2.2590758 -2.253744
|
|
1500 -2.9871562 -2.2590758 -2.2590902
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.25909021530806
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1500 -2.9871562 -2.2590902 -2.2590902
|
|
1501 -2.9871562 -2.2590902 -2.2492904
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1501 -2.9871562 -2.2590902 -2.2492904
|
|
1502 -2.9871562 -2.2590902 -2.209922
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1502 -2.9871562 -2.2590902 -2.209922
|
|
1503 -2.9871562 -2.2590902 -2.2548332
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1503 -2.9871562 -2.2590902 -2.2548332
|
|
1504 -2.9871562 -2.2590902 -2.2504845
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1504 -2.9871562 -2.2590902 -2.2504845
|
|
1505 -2.9871562 -2.2590902 -2.2302626
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1505 -2.9871562 -2.2590902 -2.2302626
|
|
1506 -2.9871562 -2.2590902 -2.2146163
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1506 -2.9871562 -2.2590902 -2.2146163
|
|
1507 -2.9871562 -2.2590902 -2.2176517
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1507 -2.9871562 -2.2590902 -2.2176517
|
|
1508 -2.9871562 -2.2590902 -2.2577854
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1508 -2.9871562 -2.2590902 -2.2577854
|
|
1509 -2.9871562 -2.2590902 -2.2549223
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1509 -2.9871562 -2.2590902 -2.2549223
|
|
1510 -2.9871562 -2.2590902 -2.2694103
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.26941030043596
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1510 -2.9871562 -2.2694103 -2.2694103
|
|
1511 -2.9871562 -2.2694103 -2.1521216
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1511 -2.9871562 -2.2694103 -2.1521216
|
|
1512 -2.9871562 -2.2694103 -2.2428679
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1512 -2.9871562 -2.2694103 -2.2428679
|
|
1513 -2.9871562 -2.2694103 -2.2557417
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1513 -2.9871562 -2.2694103 -2.2557417
|
|
1514 -2.9871562 -2.2694103 -2.2573878
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1514 -2.9871562 -2.2694103 -2.2573878
|
|
1515 -2.9871562 -2.2694103 -2.2600775
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1515 -2.9871562 -2.2694103 -2.2600775
|
|
1516 -2.9871562 -2.2694103 -2.2731605
|
|
Loop time of 4.50611e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.27316047335367
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1516 -2.9871562 -2.2731605 -2.2731605
|
|
1517 -2.9871562 -2.2731605 -2.2485626
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1517 -2.9871562 -2.2731605 -2.2485626
|
|
1518 -2.9871562 -2.2731605 -2.2330607
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1518 -2.9871562 -2.2731605 -2.2330607
|
|
1519 -2.9871562 -2.2731605 -2.247354
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1519 -2.9871562 -2.2731605 -2.247354
|
|
1520 -2.9871562 -2.2731605 -2.2280326
|
|
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1520 -2.9871562 -2.2731605 -2.2280326
|
|
1521 -2.9871562 -2.2731605 -2.2644344
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1521 -2.9871562 -2.2731605 -2.2644344
|
|
1522 -2.9871562 -2.2731605 -2.2718007
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1522 -2.9871562 -2.2731605 -2.2718007
|
|
1523 -2.9871562 -2.2731605 -2.2774895
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.2774894847351
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1523 -2.9871562 -2.2774895 -2.2774895
|
|
1524 -2.9871562 -2.2774895 -2.2797172
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.27971722867654
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1524 -2.9871562 -2.2797172 -2.2797172
|
|
1525 -2.9871562 -2.2797172 -2.2762911
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1525 -2.9871562 -2.2797172 -2.2762911
|
|
1526 -2.9871562 -2.2797172 -2.2860583
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.28605831995899
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1526 -2.9871562 -2.2860583 -2.2860583
|
|
1527 -2.9871562 -2.2860583 -2.2412564
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1527 -2.9871562 -2.2860583 -2.2412564
|
|
1528 -2.9871562 -2.2860583 -2.27972
|
|
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1528 -2.9871562 -2.2860583 -2.27972
|
|
1529 -2.9871562 -2.2860583 -2.2584723
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1529 -2.9871562 -2.2860583 -2.2584723
|
|
1530 -2.9871562 -2.2860583 -2.2448483
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1530 -2.9871562 -2.2860583 -2.2448483
|
|
1531 -2.9871562 -2.2860583 -2.2801425
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1531 -2.9871562 -2.2860583 -2.2801425
|
|
1532 -2.9871562 -2.2860583 -2.2863535
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.28635354417895
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1532 -2.9871562 -2.2863535 -2.2863535
|
|
1533 -2.9871562 -2.2863535 -2.2524981
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1533 -2.9871562 -2.2863535 -2.2524981
|
|
1534 -2.9871562 -2.2863535 -2.286736
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.2867360461042
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1534 -2.9871562 -2.286736 -2.286736
|
|
1535 -2.9871562 -2.286736 -2.2815145
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1535 -2.9871562 -2.286736 -2.2815145
|
|
1536 -2.9871562 -2.286736 -2.1768539
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1536 -2.9871562 -2.286736 -2.1768539
|
|
1537 -2.9871562 -2.286736 -2.2564174
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1537 -2.9871562 -2.286736 -2.2564174
|
|
1538 -2.9871562 -2.286736 -2.2622453
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1538 -2.9871562 -2.286736 -2.2622453
|
|
1539 -2.9871562 -2.286736 -2.288381
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.28838098843016
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1539 -2.9871562 -2.288381 -2.288381
|
|
1540 -2.9871562 -2.288381 -2.2819335
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1540 -2.9871562 -2.288381 -2.2819335
|
|
1541 -2.9871562 -2.288381 -2.289264
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.28926395768574
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1541 -2.9871562 -2.289264 -2.289264
|
|
1542 -2.9871562 -2.289264 -2.2869104
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1542 -2.9871562 -2.289264 -2.2869104
|
|
1543 -2.9871562 -2.289264 -2.1980241
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1543 -2.9871562 -2.289264 -2.1980241
|
|
1544 -2.9871562 -2.289264 -2.1705446
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1544 -2.9871562 -2.289264 -2.1705446
|
|
1545 -2.9871562 -2.289264 -2.2776877
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1545 -2.9871562 -2.289264 -2.2776877
|
|
1546 -2.9871562 -2.289264 -2.2679374
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1546 -2.9871562 -2.289264 -2.2679374
|
|
1547 -2.9871562 -2.289264 -2.2488906
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1547 -2.9871562 -2.289264 -2.2488906
|
|
1548 -2.9871562 -2.289264 -2.2879932
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1548 -2.9871562 -2.289264 -2.2879932
|
|
1549 -2.9871562 -2.289264 -2.2817005
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1549 -2.9871562 -2.289264 -2.2817005
|
|
1550 -2.9871562 -2.289264 -2.2669061
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1550 -2.9871562 -2.289264 -2.2669061
|
|
1551 -2.9871562 -2.289264 -2.2835455
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1551 -2.9871562 -2.289264 -2.2835455
|
|
1552 -2.9871562 -2.289264 -2.2449987
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1552 -2.9871562 -2.289264 -2.2449987
|
|
1553 -2.9871562 -2.289264 -2.2804924
|
|
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1553 -2.9871562 -2.289264 -2.2804924
|
|
1554 -2.9871562 -2.289264 -2.2552752
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1554 -2.9871562 -2.289264 -2.2552752
|
|
1555 -2.9871562 -2.289264 -2.2779373
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1555 -2.9871562 -2.289264 -2.2779373
|
|
1556 -2.9871562 -2.289264 -2.2816269
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1556 -2.9871562 -2.289264 -2.2816269
|
|
1557 -2.9871562 -2.289264 -2.2855483
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1557 -2.9871562 -2.289264 -2.2855483
|
|
1558 -2.9871562 -2.289264 -2.2167771
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1558 -2.9871562 -2.289264 -2.2167771
|
|
1559 -2.9871562 -2.289264 -2.290454
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.29045403263786
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1559 -2.9871562 -2.290454 -2.290454
|
|
1560 -2.9871562 -2.290454 -2.2993647
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.29936467460592
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1560 -2.9871562 -2.2993647 -2.2993647
|
|
1561 -2.9871562 -2.2993647 -2.2942252
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1561 -2.9871562 -2.2993647 -2.2942252
|
|
1562 -2.9871562 -2.2993647 -2.2807035
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1562 -2.9871562 -2.2993647 -2.2807035
|
|
1563 -2.9871562 -2.2993647 -2.2933542
|
|
Loop time of 0.0177169 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1563 -2.9871562 -2.2993647 -2.2933542
|
|
1564 -2.9871562 -2.2993647 -2.236837
|
|
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1564 -2.9871562 -2.2993647 -2.236837
|
|
1565 -2.9871562 -2.2993647 -2.2712679
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1565 -2.9871562 -2.2993647 -2.2712679
|
|
1566 -2.9871562 -2.2993647 -2.2150704
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1566 -2.9871562 -2.2993647 -2.2150704
|
|
1567 -2.9871562 -2.2993647 -2.2603654
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1567 -2.9871562 -2.2993647 -2.2603654
|
|
1568 -2.9871562 -2.2993647 -2.3038695
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.30386952927012
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1568 -2.9871562 -2.3038695 -2.3038695
|
|
1569 -2.9871562 -2.3038695 -2.2838862
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1569 -2.9871562 -2.3038695 -2.2838862
|
|
1570 -2.9871562 -2.3038695 -2.302748
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1570 -2.9871562 -2.3038695 -2.302748
|
|
1571 -2.9871562 -2.3038695 -2.305661
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.30566104811579
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1571 -2.9871562 -2.305661 -2.305661
|
|
1572 -2.9871562 -2.305661 -2.2873254
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1572 -2.9871562 -2.305661 -2.2873254
|
|
1573 -2.9871562 -2.305661 -2.2888537
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1573 -2.9871562 -2.305661 -2.2888537
|
|
1574 -2.9871562 -2.305661 -2.2909795
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1574 -2.9871562 -2.305661 -2.2909795
|
|
1575 -2.9871562 -2.305661 -2.2759626
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1575 -2.9871562 -2.305661 -2.2759626
|
|
1576 -2.9871562 -2.305661 -2.2882872
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1576 -2.9871562 -2.305661 -2.2882872
|
|
1577 -2.9871562 -2.305661 -2.297065
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1577 -2.9871562 -2.305661 -2.297065
|
|
1578 -2.9871562 -2.305661 -2.2581726
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1578 -2.9871562 -2.305661 -2.2581726
|
|
1579 -2.9871562 -2.305661 -2.2577237
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1579 -2.9871562 -2.305661 -2.2577237
|
|
1580 -2.9871562 -2.305661 -2.2493345
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1580 -2.9871562 -2.305661 -2.2493345
|
|
1581 -2.9871562 -2.305661 -2.2960478
|
|
Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1581 -2.9871562 -2.305661 -2.2960478
|
|
1582 -2.9871562 -2.305661 -2.2736988
|
|
Loop time of 8.79765e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1582 -2.9871562 -2.305661 -2.2736988
|
|
1583 -2.9871562 -2.305661 -2.3117532
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.31175318800913
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1583 -2.9871562 -2.3117532 -2.3117532
|
|
1584 -2.9871562 -2.3117532 -2.2749845
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1584 -2.9871562 -2.3117532 -2.2749845
|
|
1585 -2.9871562 -2.3117532 -2.3037893
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1585 -2.9871562 -2.3117532 -2.3037893
|
|
1586 -2.9871562 -2.3117532 -2.3031535
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1586 -2.9871562 -2.3117532 -2.3031535
|
|
1587 -2.9871562 -2.3117532 -2.318058
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.318057995778
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1587 -2.9871562 -2.318058 -2.318058
|
|
1588 -2.9871562 -2.318058 -2.2575767
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1588 -2.9871562 -2.318058 -2.2575767
|
|
1589 -2.9871562 -2.318058 -2.289635
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1589 -2.9871562 -2.318058 -2.289635
|
|
1590 -2.9871562 -2.318058 -2.2985468
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1590 -2.9871562 -2.318058 -2.2985468
|
|
1591 -2.9871562 -2.318058 -2.2881739
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1591 -2.9871562 -2.318058 -2.2881739
|
|
1592 -2.9871562 -2.318058 -2.2598309
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1592 -2.9871562 -2.318058 -2.2598309
|
|
1593 -2.9871562 -2.318058 -2.314066
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1593 -2.9871562 -2.318058 -2.314066
|
|
1594 -2.9871562 -2.318058 -2.3122412
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1594 -2.9871562 -2.318058 -2.3122412
|
|
1595 -2.9871562 -2.318058 -2.2649708
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1595 -2.9871562 -2.318058 -2.2649708
|
|
1596 -2.9871562 -2.318058 -2.3159912
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1596 -2.9871562 -2.318058 -2.3159912
|
|
1597 -2.9871562 -2.318058 -2.2598316
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1597 -2.9871562 -2.318058 -2.2598316
|
|
1598 -2.9871562 -2.318058 -2.308778
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1598 -2.9871562 -2.318058 -2.308778
|
|
1599 -2.9871562 -2.318058 -2.2962586
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1599 -2.9871562 -2.318058 -2.2962586
|
|
1600 -2.9871562 -2.318058 -2.310723
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1600 -2.9871562 -2.318058 -2.310723
|
|
1601 -2.9871562 -2.318058 -2.3125936
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1601 -2.9871562 -2.318058 -2.3125936
|
|
1602 -2.9871562 -2.318058 -2.2803622
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1602 -2.9871562 -2.318058 -2.2803622
|
|
1603 -2.9871562 -2.318058 -2.3103887
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1603 -2.9871562 -2.318058 -2.3103887
|
|
1604 -2.9871562 -2.318058 -2.274818
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1604 -2.9871562 -2.318058 -2.274818
|
|
1605 -2.9871562 -2.318058 -2.2698887
|
|
Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1605 -2.9871562 -2.318058 -2.2698887
|
|
1606 -2.9871562 -2.318058 -2.2949931
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1606 -2.9871562 -2.318058 -2.2949931
|
|
1607 -2.9871562 -2.318058 -2.3176042
|
|
Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1607 -2.9871562 -2.318058 -2.3176042
|
|
1608 -2.9871562 -2.318058 -2.2334791
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1608 -2.9871562 -2.318058 -2.2334791
|
|
1609 -2.9871562 -2.318058 -2.3032754
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1609 -2.9871562 -2.318058 -2.3032754
|
|
1610 -2.9871562 -2.318058 -2.2489407
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1610 -2.9871562 -2.318058 -2.2489407
|
|
1611 -2.9871562 -2.318058 -2.3188788
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.31887883121382
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1611 -2.9871562 -2.3188788 -2.3188788
|
|
1612 -2.9871562 -2.3188788 -2.3050959
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1612 -2.9871562 -2.3188788 -2.3050959
|
|
1613 -2.9871562 -2.3188788 -2.3167143
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1613 -2.9871562 -2.3188788 -2.3167143
|
|
1614 -2.9871562 -2.3188788 -2.3378887
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.33788865400787
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1614 -2.9871562 -2.3378887 -2.3378887
|
|
1615 -2.9871562 -2.3378887 -2.3138708
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1615 -2.9871562 -2.3378887 -2.3138708
|
|
1616 -2.9871562 -2.3378887 -2.3263291
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1616 -2.9871562 -2.3378887 -2.3263291
|
|
1617 -2.9871562 -2.3378887 -2.3086866
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1617 -2.9871562 -2.3378887 -2.3086866
|
|
1618 -2.9871562 -2.3378887 -2.3148197
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1618 -2.9871562 -2.3378887 -2.3148197
|
|
1619 -2.9871562 -2.3378887 -2.3108688
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1619 -2.9871562 -2.3378887 -2.3108688
|
|
1620 -2.9871562 -2.3378887 -2.3175737
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1620 -2.9871562 -2.3378887 -2.3175737
|
|
1621 -2.9871562 -2.3378887 -2.3223652
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1621 -2.9871562 -2.3378887 -2.3223652
|
|
1622 -2.9871562 -2.3378887 -2.326743
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1622 -2.9871562 -2.3378887 -2.326743
|
|
1623 -2.9871562 -2.3378887 -2.3303345
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1623 -2.9871562 -2.3378887 -2.3303345
|
|
1624 -2.9871562 -2.3378887 -2.3308317
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1624 -2.9871562 -2.3378887 -2.3308317
|
|
1625 -2.9871562 -2.3378887 -2.3376508
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1625 -2.9871562 -2.3378887 -2.3376508
|
|
1626 -2.9871562 -2.3378887 -2.3268647
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1626 -2.9871562 -2.3378887 -2.3268647
|
|
1627 -2.9871562 -2.3378887 -2.296613
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1627 -2.9871562 -2.3378887 -2.296613
|
|
1628 -2.9871562 -2.3378887 -2.3229459
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1628 -2.9871562 -2.3378887 -2.3229459
|
|
1629 -2.9871562 -2.3378887 -2.2968328
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1629 -2.9871562 -2.3378887 -2.2968328
|
|
1630 -2.9871562 -2.3378887 -2.3302312
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1630 -2.9871562 -2.3378887 -2.3302312
|
|
1631 -2.9871562 -2.3378887 -2.3379691
|
|
Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.33796909689607
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1631 -2.9871562 -2.3379691 -2.3379691
|
|
1632 -2.9871562 -2.3379691 -2.2991391
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1632 -2.9871562 -2.3379691 -2.2991391
|
|
1633 -2.9871562 -2.3379691 -2.2825358
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1633 -2.9871562 -2.3379691 -2.2825358
|
|
1634 -2.9871562 -2.3379691 -2.310398
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1634 -2.9871562 -2.3379691 -2.310398
|
|
1635 -2.9871562 -2.3379691 -2.318424
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1635 -2.9871562 -2.3379691 -2.318424
|
|
1636 -2.9871562 -2.3379691 -2.3322054
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1636 -2.9871562 -2.3379691 -2.3322054
|
|
1637 -2.9871562 -2.3379691 -2.2640444
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1637 -2.9871562 -2.3379691 -2.2640444
|
|
1638 -2.9871562 -2.3379691 -2.3340602
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1638 -2.9871562 -2.3379691 -2.3340602
|
|
1639 -2.9871562 -2.3379691 -2.3320271
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1639 -2.9871562 -2.3379691 -2.3320271
|
|
1640 -2.9871562 -2.3379691 -2.3214715
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1640 -2.9871562 -2.3379691 -2.3214715
|
|
1641 -2.9871562 -2.3379691 -2.3420294
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.34202943323049
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1641 -2.9871562 -2.3420294 -2.3420294
|
|
1642 -2.9871562 -2.3420294 -2.302266
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1642 -2.9871562 -2.3420294 -2.302266
|
|
1643 -2.9871562 -2.3420294 -2.3224758
|
|
Loop time of 4.41074e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1643 -2.9871562 -2.3420294 -2.3224758
|
|
1644 -2.9871562 -2.3420294 -2.3454902
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.34549019268577
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1644 -2.9871562 -2.3454902 -2.3454902
|
|
1645 -2.9871562 -2.3454902 -2.346541
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.34654096634169
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1645 -2.9871562 -2.346541 -2.346541
|
|
1646 -2.9871562 -2.346541 -2.2411788
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1646 -2.9871562 -2.346541 -2.2411788
|
|
1647 -2.9871562 -2.346541 -2.3403073
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1647 -2.9871562 -2.346541 -2.3403073
|
|
1648 -2.9871562 -2.346541 -2.3569769
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.35697689340953
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1648 -2.9871562 -2.3569769 -2.3569769
|
|
1649 -2.9871562 -2.3569769 -2.3418326
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1649 -2.9871562 -2.3569769 -2.3418326
|
|
1650 -2.9871562 -2.3569769 -2.3253041
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1650 -2.9871562 -2.3569769 -2.3253041
|
|
1651 -2.9871562 -2.3569769 -2.3372653
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1651 -2.9871562 -2.3569769 -2.3372653
|
|
1652 -2.9871562 -2.3569769 -2.3685435
|
|
Loop time of 5.10216e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.36854346627575
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1652 -2.9871562 -2.3685435 -2.3685435
|
|
1653 -2.9871562 -2.3685435 -2.3485999
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1653 -2.9871562 -2.3685435 -2.3485999
|
|
1654 -2.9871562 -2.3685435 -2.3546885
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1654 -2.9871562 -2.3685435 -2.3546885
|
|
1655 -2.9871562 -2.3685435 -2.3595415
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1655 -2.9871562 -2.3685435 -2.3595415
|
|
1656 -2.9871562 -2.3685435 -2.3578582
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1656 -2.9871562 -2.3685435 -2.3578582
|
|
1657 -2.9871562 -2.3685435 -2.3202076
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1657 -2.9871562 -2.3685435 -2.3202076
|
|
1658 -2.9871562 -2.3685435 -2.3418288
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1658 -2.9871562 -2.3685435 -2.3418288
|
|
1659 -2.9871562 -2.3685435 -2.3572381
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1659 -2.9871562 -2.3685435 -2.3572381
|
|
1660 -2.9871562 -2.3685435 -2.3543348
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1660 -2.9871562 -2.3685435 -2.3543348
|
|
1661 -2.9871562 -2.3685435 -2.3650768
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1661 -2.9871562 -2.3685435 -2.3650768
|
|
1662 -2.9871562 -2.3685435 -2.3555872
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1662 -2.9871562 -2.3685435 -2.3555872
|
|
1663 -2.9871562 -2.3685435 -2.3583158
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1663 -2.9871562 -2.3685435 -2.3583158
|
|
1664 -2.9871562 -2.3685435 -2.333276
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1664 -2.9871562 -2.3685435 -2.333276
|
|
1665 -2.9871562 -2.3685435 -2.3409644
|
|
Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1665 -2.9871562 -2.3685435 -2.3409644
|
|
1666 -2.9871562 -2.3685435 -2.355212
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1666 -2.9871562 -2.3685435 -2.355212
|
|
1667 -2.9871562 -2.3685435 -2.3400901
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1667 -2.9871562 -2.3685435 -2.3400901
|
|
1668 -2.9871562 -2.3685435 -2.354488
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1668 -2.9871562 -2.3685435 -2.354488
|
|
1669 -2.9871562 -2.3685435 -2.3642085
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1669 -2.9871562 -2.3685435 -2.3642085
|
|
1670 -2.9871562 -2.3685435 -2.2667384
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1670 -2.9871562 -2.3685435 -2.2667384
|
|
1671 -2.9871562 -2.3685435 -2.3483156
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1671 -2.9871562 -2.3685435 -2.3483156
|
|
1672 -2.9871562 -2.3685435 -2.3439551
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1672 -2.9871562 -2.3685435 -2.3439551
|
|
1673 -2.9871562 -2.3685435 -2.2814857
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1673 -2.9871562 -2.3685435 -2.2814857
|
|
1674 -2.9871562 -2.3685435 -2.3613596
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1674 -2.9871562 -2.3685435 -2.3613596
|
|
1675 -2.9871562 -2.3685435 -2.3152232
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1675 -2.9871562 -2.3685435 -2.3152232
|
|
1676 -2.9871562 -2.3685435 -2.3452351
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1676 -2.9871562 -2.3685435 -2.3452351
|
|
1677 -2.9871562 -2.3685435 -2.3596597
|
|
Loop time of 7.70092e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1677 -2.9871562 -2.3685435 -2.3596597
|
|
1678 -2.9871562 -2.3685435 -2.3385452
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1678 -2.9871562 -2.3685435 -2.3385452
|
|
1679 -2.9871562 -2.3685435 -2.3504628
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1679 -2.9871562 -2.3685435 -2.3504628
|
|
1680 -2.9871562 -2.3685435 -2.3637811
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1680 -2.9871562 -2.3685435 -2.3637811
|
|
1681 -2.9871562 -2.3685435 -2.3598138
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1681 -2.9871562 -2.3685435 -2.3598138
|
|
1682 -2.9871562 -2.3685435 -2.2846755
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1682 -2.9871562 -2.3685435 -2.2846755
|
|
1683 -2.9871562 -2.3685435 -2.3631775
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1683 -2.9871562 -2.3685435 -2.3631775
|
|
1684 -2.9871562 -2.3685435 -2.3380253
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1684 -2.9871562 -2.3685435 -2.3380253
|
|
1685 -2.9871562 -2.3685435 -2.3773656
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.37736559954031
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1685 -2.9871562 -2.3773656 -2.3773656
|
|
1686 -2.9871562 -2.3773656 -2.3611089
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1686 -2.9871562 -2.3773656 -2.3611089
|
|
1687 -2.9871562 -2.3773656 -2.362476
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1687 -2.9871562 -2.3773656 -2.362476
|
|
1688 -2.9871562 -2.3773656 -2.3753434
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1688 -2.9871562 -2.3773656 -2.3753434
|
|
1689 -2.9871562 -2.3773656 -2.3776915
|
|
Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.37769149172783
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1689 -2.9871562 -2.3776915 -2.3776915
|
|
1690 -2.9871562 -2.3776915 -2.3510195
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1690 -2.9871562 -2.3776915 -2.3510195
|
|
1691 -2.9871562 -2.3776915 -2.3663376
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1691 -2.9871562 -2.3776915 -2.3663376
|
|
1692 -2.9871562 -2.3776915 -2.3723743
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1692 -2.9871562 -2.3776915 -2.3723743
|
|
1693 -2.9871562 -2.3776915 -2.3602829
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1693 -2.9871562 -2.3776915 -2.3602829
|
|
1694 -2.9871562 -2.3776915 -2.394501
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.3945009501965
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1694 -2.9871562 -2.394501 -2.394501
|
|
1695 -2.9871562 -2.394501 -2.4052631
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.40526314649746
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1695 -2.9871562 -2.4052631 -2.4052631
|
|
1696 -2.9871562 -2.4052631 -2.352217
|
|
Loop time of 8.70228e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1696 -2.9871562 -2.4052631 -2.352217
|
|
1697 -2.9871562 -2.4052631 -2.4055875
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.40558752486357
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1697 -2.9871562 -2.4055875 -2.4055875
|
|
1698 -2.9871562 -2.4055875 -2.3515125
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1698 -2.9871562 -2.4055875 -2.3515125
|
|
1699 -2.9871562 -2.4055875 -2.3655028
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1699 -2.9871562 -2.4055875 -2.3655028
|
|
1700 -2.9871562 -2.4055875 -2.3834369
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1700 -2.9871562 -2.4055875 -2.3834369
|
|
1701 -2.9871562 -2.4055875 -2.3514313
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1701 -2.9871562 -2.4055875 -2.3514313
|
|
1702 -2.9871562 -2.4055875 -2.3863726
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1702 -2.9871562 -2.4055875 -2.3863726
|
|
1703 -2.9871562 -2.4055875 -2.3623473
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1703 -2.9871562 -2.4055875 -2.3623473
|
|
1704 -2.9871562 -2.4055875 -2.3903973
|
|
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1704 -2.9871562 -2.4055875 -2.3903973
|
|
1705 -2.9871562 -2.4055875 -2.3792246
|
|
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1705 -2.9871562 -2.4055875 -2.3792246
|
|
1706 -2.9871562 -2.4055875 -2.3978678
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1706 -2.9871562 -2.4055875 -2.3978678
|
|
1707 -2.9871562 -2.4055875 -2.4014236
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1707 -2.9871562 -2.4055875 -2.4014236
|
|
1708 -2.9871562 -2.4055875 -2.381552
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1708 -2.9871562 -2.4055875 -2.381552
|
|
1709 -2.9871562 -2.4055875 -2.3769468
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1709 -2.9871562 -2.4055875 -2.3769468
|
|
1710 -2.9871562 -2.4055875 -2.341559
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1710 -2.9871562 -2.4055875 -2.341559
|
|
1711 -2.9871562 -2.4055875 -2.40066
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1711 -2.9871562 -2.4055875 -2.40066
|
|
1712 -2.9871562 -2.4055875 -2.3592486
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1712 -2.9871562 -2.4055875 -2.3592486
|
|
1713 -2.9871562 -2.4055875 -2.3938673
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1713 -2.9871562 -2.4055875 -2.3938673
|
|
1714 -2.9871562 -2.4055875 -2.4066489
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.40664889713789
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1714 -2.9871562 -2.4066489 -2.4066489
|
|
1715 -2.9871562 -2.4066489 -2.3861562
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1715 -2.9871562 -2.4066489 -2.3861562
|
|
1716 -2.9871562 -2.4066489 -2.3938863
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1716 -2.9871562 -2.4066489 -2.3938863
|
|
1717 -2.9871562 -2.4066489 -2.3804287
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1717 -2.9871562 -2.4066489 -2.3804287
|
|
1718 -2.9871562 -2.4066489 -2.3176469
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1718 -2.9871562 -2.4066489 -2.3176469
|
|
1719 -2.9871562 -2.4066489 -2.4046525
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1719 -2.9871562 -2.4066489 -2.4046525
|
|
1720 -2.9871562 -2.4066489 -2.3927364
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1720 -2.9871562 -2.4066489 -2.3927364
|
|
1721 -2.9871562 -2.4066489 -2.3681351
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1721 -2.9871562 -2.4066489 -2.3681351
|
|
1722 -2.9871562 -2.4066489 -2.3901363
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1722 -2.9871562 -2.4066489 -2.3901363
|
|
1723 -2.9871562 -2.4066489 -2.4132766
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.41327659148408
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1723 -2.9871562 -2.4132766 -2.4132766
|
|
1724 -2.9871562 -2.4132766 -2.3945199
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1724 -2.9871562 -2.4132766 -2.3945199
|
|
1725 -2.9871562 -2.4132766 -2.3272651
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1725 -2.9871562 -2.4132766 -2.3272651
|
|
1726 -2.9871562 -2.4132766 -2.3748051
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1726 -2.9871562 -2.4132766 -2.3748051
|
|
1727 -2.9871562 -2.4132766 -2.3993569
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1727 -2.9871562 -2.4132766 -2.3993569
|
|
1728 -2.9871562 -2.4132766 -2.3990526
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1728 -2.9871562 -2.4132766 -2.3990526
|
|
1729 -2.9871562 -2.4132766 -2.3796156
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1729 -2.9871562 -2.4132766 -2.3796156
|
|
1730 -2.9871562 -2.4132766 -2.402349
|
|
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1730 -2.9871562 -2.4132766 -2.402349
|
|
1731 -2.9871562 -2.4132766 -2.3911893
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1731 -2.9871562 -2.4132766 -2.3911893
|
|
1732 -2.9871562 -2.4132766 -2.4154259
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.41542593746551
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1732 -2.9871562 -2.4154259 -2.4154259
|
|
1733 -2.9871562 -2.4154259 -2.4090683
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1733 -2.9871562 -2.4154259 -2.4090683
|
|
1734 -2.9871562 -2.4154259 -2.3939378
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1734 -2.9871562 -2.4154259 -2.3939378
|
|
1735 -2.9871562 -2.4154259 -2.4041135
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1735 -2.9871562 -2.4154259 -2.4041135
|
|
1736 -2.9871562 -2.4154259 -2.4064592
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1736 -2.9871562 -2.4154259 -2.4064592
|
|
1737 -2.9871562 -2.4154259 -2.4140375
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1737 -2.9871562 -2.4154259 -2.4140375
|
|
1738 -2.9871562 -2.4154259 -2.4116672
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1738 -2.9871562 -2.4154259 -2.4116672
|
|
1739 -2.9871562 -2.4154259 -2.3951477
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1739 -2.9871562 -2.4154259 -2.3951477
|
|
1740 -2.9871562 -2.4154259 -2.3915877
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1740 -2.9871562 -2.4154259 -2.3915877
|
|
1741 -2.9871562 -2.4154259 -2.3922296
|
|
Loop time of 8.91685e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1741 -2.9871562 -2.4154259 -2.3922296
|
|
1742 -2.9871562 -2.4154259 -2.3867578
|
|
Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1742 -2.9871562 -2.4154259 -2.3867578
|
|
1743 -2.9871562 -2.4154259 -2.4071444
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1743 -2.9871562 -2.4154259 -2.4071444
|
|
1744 -2.9871562 -2.4154259 -2.4010585
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1744 -2.9871562 -2.4154259 -2.4010585
|
|
1745 -2.9871562 -2.4154259 -2.383752
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1745 -2.9871562 -2.4154259 -2.383752
|
|
1746 -2.9871562 -2.4154259 -2.4075687
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1746 -2.9871562 -2.4154259 -2.4075687
|
|
1747 -2.9871562 -2.4154259 -2.4104159
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1747 -2.9871562 -2.4154259 -2.4104159
|
|
1748 -2.9871562 -2.4154259 -2.4095661
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1748 -2.9871562 -2.4154259 -2.4095661
|
|
1749 -2.9871562 -2.4154259 -2.4054235
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1749 -2.9871562 -2.4154259 -2.4054235
|
|
1750 -2.9871562 -2.4154259 -2.3974026
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1750 -2.9871562 -2.4154259 -2.3974026
|
|
1751 -2.9871562 -2.4154259 -2.3998184
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1751 -2.9871562 -2.4154259 -2.3998184
|
|
1752 -2.9871562 -2.4154259 -2.3742937
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1752 -2.9871562 -2.4154259 -2.3742937
|
|
1753 -2.9871562 -2.4154259 -2.3566046
|
|
Loop time of 4.91142e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1753 -2.9871562 -2.4154259 -2.3566046
|
|
1754 -2.9871562 -2.4154259 -2.4057979
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1754 -2.9871562 -2.4154259 -2.4057979
|
|
1755 -2.9871562 -2.4154259 -2.4081722
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1755 -2.9871562 -2.4154259 -2.4081722
|
|
1756 -2.9871562 -2.4154259 -2.4118759
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1756 -2.9871562 -2.4154259 -2.4118759
|
|
1757 -2.9871562 -2.4154259 -2.4134188
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1757 -2.9871562 -2.4154259 -2.4134188
|
|
1758 -2.9871562 -2.4154259 -2.4070106
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1758 -2.9871562 -2.4154259 -2.4070106
|
|
1759 -2.9871562 -2.4154259 -2.4076417
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1759 -2.9871562 -2.4154259 -2.4076417
|
|
1760 -2.9871562 -2.4154259 -2.3734061
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1760 -2.9871562 -2.4154259 -2.3734061
|
|
1761 -2.9871562 -2.4154259 -2.3915259
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1761 -2.9871562 -2.4154259 -2.3915259
|
|
1762 -2.9871562 -2.4154259 -2.415885
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.41588500442911
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1762 -2.9871562 -2.415885 -2.415885
|
|
1763 -2.9871562 -2.415885 -2.4119594
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1763 -2.9871562 -2.415885 -2.4119594
|
|
1764 -2.9871562 -2.415885 -2.386957
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1764 -2.9871562 -2.415885 -2.386957
|
|
1765 -2.9871562 -2.415885 -2.4014093
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1765 -2.9871562 -2.415885 -2.4014093
|
|
1766 -2.9871562 -2.415885 -2.4207911
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.42079108166225
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1766 -2.9871562 -2.4207911 -2.4207911
|
|
1767 -2.9871562 -2.4207911 -2.3553929
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1767 -2.9871562 -2.4207911 -2.3553929
|
|
1768 -2.9871562 -2.4207911 -2.4245937
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.42459369577242
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1768 -2.9871562 -2.4245937 -2.4245937
|
|
1769 -2.9871562 -2.4245937 -2.4232122
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1769 -2.9871562 -2.4245937 -2.4232122
|
|
1770 -2.9871562 -2.4245937 -2.3909976
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1770 -2.9871562 -2.4245937 -2.3909976
|
|
1771 -2.9871562 -2.4245937 -2.4127883
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1771 -2.9871562 -2.4245937 -2.4127883
|
|
1772 -2.9871562 -2.4245937 -2.4080355
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1772 -2.9871562 -2.4245937 -2.4080355
|
|
1773 -2.9871562 -2.4245937 -2.4101453
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1773 -2.9871562 -2.4245937 -2.4101453
|
|
1774 -2.9871562 -2.4245937 -2.4249221
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.42492206612989
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1774 -2.9871562 -2.4249221 -2.4249221
|
|
1775 -2.9871562 -2.4249221 -2.3961536
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1775 -2.9871562 -2.4249221 -2.3961536
|
|
1776 -2.9871562 -2.4249221 -2.4268908
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.42689079466911
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1776 -2.9871562 -2.4268908 -2.4268908
|
|
1777 -2.9871562 -2.4268908 -2.4268586
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.42685863131173
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1777 -2.9871562 -2.4268586 -2.4268586
|
|
1778 -2.9871562 -2.4268586 -2.424216
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1778 -2.9871562 -2.4268586 -2.424216
|
|
1779 -2.9871562 -2.4268586 -2.3874991
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1779 -2.9871562 -2.4268586 -2.3874991
|
|
1780 -2.9871562 -2.4268586 -2.4139303
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1780 -2.9871562 -2.4268586 -2.4139303
|
|
1781 -2.9871562 -2.4268586 -2.4141138
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1781 -2.9871562 -2.4268586 -2.4141138
|
|
1782 -2.9871562 -2.4268586 -2.3850104
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1782 -2.9871562 -2.4268586 -2.3850104
|
|
1783 -2.9871562 -2.4268586 -2.4151755
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1783 -2.9871562 -2.4268586 -2.4151755
|
|
1784 -2.9871562 -2.4268586 -2.4054871
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1784 -2.9871562 -2.4268586 -2.4054871
|
|
1785 -2.9871562 -2.4268586 -2.3846894
|
|
Loop time of 5.6982e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1785 -2.9871562 -2.4268586 -2.3846894
|
|
1786 -2.9871562 -2.4268586 -2.3796626
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1786 -2.9871562 -2.4268586 -2.3796626
|
|
1787 -2.9871562 -2.4268586 -2.4151892
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1787 -2.9871562 -2.4268586 -2.4151892
|
|
1788 -2.9871562 -2.4268586 -2.415822
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1788 -2.9871562 -2.4268586 -2.415822
|
|
1789 -2.9871562 -2.4268586 -2.3989637
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1789 -2.9871562 -2.4268586 -2.3989637
|
|
1790 -2.9871562 -2.4268586 -2.3993174
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1790 -2.9871562 -2.4268586 -2.3993174
|
|
1791 -2.9871562 -2.4268586 -2.33781
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1791 -2.9871562 -2.4268586 -2.33781
|
|
1792 -2.9871562 -2.4268586 -2.3923539
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1792 -2.9871562 -2.4268586 -2.3923539
|
|
1793 -2.9871562 -2.4268586 -2.4125947
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1793 -2.9871562 -2.4268586 -2.4125947
|
|
1794 -2.9871562 -2.4268586 -2.4161932
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1794 -2.9871562 -2.4268586 -2.4161932
|
|
1795 -2.9871562 -2.4268586 -2.3916863
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1795 -2.9871562 -2.4268586 -2.3916863
|
|
1796 -2.9871562 -2.4268586 -2.4023024
|
|
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1796 -2.9871562 -2.4268586 -2.4023024
|
|
1797 -2.9871562 -2.4268586 -2.3607425
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1797 -2.9871562 -2.4268586 -2.3607425
|
|
1798 -2.9871562 -2.4268586 -2.424386
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1798 -2.9871562 -2.4268586 -2.424386
|
|
1799 -2.9871562 -2.4268586 -2.4289
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.42890002223932
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1799 -2.9871562 -2.4289 -2.4289
|
|
1800 -2.9871562 -2.4289 -2.2601561
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1800 -2.9871562 -2.4289 -2.2601561
|
|
1801 -2.9871562 -2.4289 -2.4173899
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1801 -2.9871562 -2.4289 -2.4173899
|
|
1802 -2.9871562 -2.4289 -2.4075188
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1802 -2.9871562 -2.4289 -2.4075188
|
|
1803 -2.9871562 -2.4289 -2.3874467
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1803 -2.9871562 -2.4289 -2.3874467
|
|
1804 -2.9871562 -2.4289 -2.4284005
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1804 -2.9871562 -2.4289 -2.4284005
|
|
1805 -2.9871562 -2.4289 -2.4146404
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1805 -2.9871562 -2.4289 -2.4146404
|
|
1806 -2.9871562 -2.4289 -2.4257975
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1806 -2.9871562 -2.4289 -2.4257975
|
|
1807 -2.9871562 -2.4289 -2.4019284
|
|
Loop time of 9.41753e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1807 -2.9871562 -2.4289 -2.4019284
|
|
1808 -2.9871562 -2.4289 -2.4017956
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1808 -2.9871562 -2.4289 -2.4017956
|
|
1809 -2.9871562 -2.4289 -2.4075087
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1809 -2.9871562 -2.4289 -2.4075087
|
|
1810 -2.9871562 -2.4289 -2.4287588
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.42875882777987
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1810 -2.9871562 -2.4287588 -2.4287588
|
|
1811 -2.9871562 -2.4287588 -2.3429157
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1811 -2.9871562 -2.4287588 -2.3429157
|
|
1812 -2.9871562 -2.4287588 -2.4045222
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1812 -2.9871562 -2.4287588 -2.4045222
|
|
1813 -2.9871562 -2.4287588 -2.4295786
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.42957861262735
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1813 -2.9871562 -2.4295786 -2.4295786
|
|
1814 -2.9871562 -2.4295786 -2.3861346
|
|
Loop time of 7.9155e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1814 -2.9871562 -2.4295786 -2.3861346
|
|
1815 -2.9871562 -2.4295786 -2.4110673
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1815 -2.9871562 -2.4295786 -2.4110673
|
|
1816 -2.9871562 -2.4295786 -2.4365867
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.43658672935165
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1816 -2.9871562 -2.4365867 -2.4365867
|
|
1817 -2.9871562 -2.4365867 -2.4246255
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1817 -2.9871562 -2.4365867 -2.4246255
|
|
1818 -2.9871562 -2.4365867 -2.3076276
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1818 -2.9871562 -2.4365867 -2.3076276
|
|
1819 -2.9871562 -2.4365867 -2.4263749
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1819 -2.9871562 -2.4365867 -2.4263749
|
|
1820 -2.9871562 -2.4365867 -2.4188277
|
|
Loop time of 5.10216e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1820 -2.9871562 -2.4365867 -2.4188277
|
|
1821 -2.9871562 -2.4365867 -2.4193982
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1821 -2.9871562 -2.4365867 -2.4193982
|
|
1822 -2.9871562 -2.4365867 -2.4307377
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1822 -2.9871562 -2.4365867 -2.4307377
|
|
1823 -2.9871562 -2.4365867 -2.4339796
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1823 -2.9871562 -2.4365867 -2.4339796
|
|
1824 -2.9871562 -2.4365867 -2.4259724
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1824 -2.9871562 -2.4365867 -2.4259724
|
|
1825 -2.9871562 -2.4365867 -2.4412732
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.44127322637725
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1825 -2.9871562 -2.4412732 -2.4412732
|
|
1826 -2.9871562 -2.4412732 -2.4409571
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1826 -2.9871562 -2.4412732 -2.4409571
|
|
1827 -2.9871562 -2.4412732 -2.4319143
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1827 -2.9871562 -2.4412732 -2.4319143
|
|
1828 -2.9871562 -2.4412732 -2.4244568
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1828 -2.9871562 -2.4412732 -2.4244568
|
|
1829 -2.9871562 -2.4412732 -2.4342517
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1829 -2.9871562 -2.4412732 -2.4342517
|
|
1830 -2.9871562 -2.4412732 -2.4404074
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1830 -2.9871562 -2.4412732 -2.4404074
|
|
1831 -2.9871562 -2.4412732 -2.433929
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1831 -2.9871562 -2.4412732 -2.433929
|
|
1832 -2.9871562 -2.4412732 -2.4260446
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1832 -2.9871562 -2.4412732 -2.4260446
|
|
1833 -2.9871562 -2.4412732 -2.3974379
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1833 -2.9871562 -2.4412732 -2.3974379
|
|
1834 -2.9871562 -2.4412732 -2.3290123
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1834 -2.9871562 -2.4412732 -2.3290123
|
|
1835 -2.9871562 -2.4412732 -2.4365214
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1835 -2.9871562 -2.4412732 -2.4365214
|
|
1836 -2.9871562 -2.4412732 -2.4065272
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1836 -2.9871562 -2.4412732 -2.4065272
|
|
1837 -2.9871562 -2.4412732 -2.4097178
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1837 -2.9871562 -2.4412732 -2.4097178
|
|
1838 -2.9871562 -2.4412732 -2.426003
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1838 -2.9871562 -2.4412732 -2.426003
|
|
1839 -2.9871562 -2.4412732 -2.4728843
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.47288434704228
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1839 -2.9871562 -2.4728843 -2.4728843
|
|
1840 -2.9871562 -2.4728843 -2.4541787
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1840 -2.9871562 -2.4728843 -2.4541787
|
|
1841 -2.9871562 -2.4728843 -2.4645402
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1841 -2.9871562 -2.4728843 -2.4645402
|
|
1842 -2.9871562 -2.4728843 -2.4726472
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1842 -2.9871562 -2.4728843 -2.4726472
|
|
1843 -2.9871562 -2.4728843 -2.413477
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1843 -2.9871562 -2.4728843 -2.413477
|
|
1844 -2.9871562 -2.4728843 -2.4552898
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1844 -2.9871562 -2.4728843 -2.4552898
|
|
1845 -2.9871562 -2.4728843 -2.4665835
|
|
Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1845 -2.9871562 -2.4728843 -2.4665835
|
|
1846 -2.9871562 -2.4728843 -2.4623063
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1846 -2.9871562 -2.4728843 -2.4623063
|
|
1847 -2.9871562 -2.4728843 -2.4719461
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.47194608626279
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1847 -2.9871562 -2.4719461 -2.4719461
|
|
1848 -2.9871562 -2.4719461 -2.3725451
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1848 -2.9871562 -2.4719461 -2.3725451
|
|
1849 -2.9871562 -2.4719461 -2.4724699
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.47246994236341
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1849 -2.9871562 -2.4724699 -2.4724699
|
|
1850 -2.9871562 -2.4724699 -2.4696638
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1850 -2.9871562 -2.4724699 -2.4696638
|
|
1851 -2.9871562 -2.4724699 -2.4644294
|
|
Loop time of 8.70228e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1851 -2.9871562 -2.4724699 -2.4644294
|
|
1852 -2.9871562 -2.4724699 -2.4509404
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1852 -2.9871562 -2.4724699 -2.4509404
|
|
1853 -2.9871562 -2.4724699 -2.4613592
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1853 -2.9871562 -2.4724699 -2.4613592
|
|
1854 -2.9871562 -2.4724699 -2.4661297
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1854 -2.9871562 -2.4724699 -2.4661297
|
|
1855 -2.9871562 -2.4724699 -2.4664177
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1855 -2.9871562 -2.4724699 -2.4664177
|
|
1856 -2.9871562 -2.4724699 -2.4486316
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1856 -2.9871562 -2.4724699 -2.4486316
|
|
1857 -2.9871562 -2.4724699 -2.4769314
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.47693137575432
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1857 -2.9871562 -2.4769314 -2.4769314
|
|
1858 -2.9871562 -2.4769314 -2.4540866
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1858 -2.9871562 -2.4769314 -2.4540866
|
|
1859 -2.9871562 -2.4769314 -2.4681247
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1859 -2.9871562 -2.4769314 -2.4681247
|
|
1860 -2.9871562 -2.4769314 -2.4820571
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.48205708665316
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1860 -2.9871562 -2.4820571 -2.4820571
|
|
1861 -2.9871562 -2.4820571 -2.4445601
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1861 -2.9871562 -2.4820571 -2.4445601
|
|
1862 -2.9871562 -2.4820571 -2.471784
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1862 -2.9871562 -2.4820571 -2.471784
|
|
1863 -2.9871562 -2.4820571 -2.4695858
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1863 -2.9871562 -2.4820571 -2.4695858
|
|
1864 -2.9871562 -2.4820571 -2.4671879
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1864 -2.9871562 -2.4820571 -2.4671879
|
|
1865 -2.9871562 -2.4820571 -2.4712941
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1865 -2.9871562 -2.4820571 -2.4712941
|
|
1866 -2.9871562 -2.4820571 -2.4587876
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1866 -2.9871562 -2.4820571 -2.4587876
|
|
1867 -2.9871562 -2.4820571 -2.4410321
|
|
Loop time of 5.10216e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1867 -2.9871562 -2.4820571 -2.4410321
|
|
1868 -2.9871562 -2.4820571 -2.4860878
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.48608781211477
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1868 -2.9871562 -2.4860878 -2.4860878
|
|
1869 -2.9871562 -2.4860878 -2.4014208
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1869 -2.9871562 -2.4860878 -2.4014208
|
|
1870 -2.9871562 -2.4860878 -2.484838
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1870 -2.9871562 -2.4860878 -2.484838
|
|
1871 -2.9871562 -2.4860878 -2.4760958
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1871 -2.9871562 -2.4860878 -2.4760958
|
|
1872 -2.9871562 -2.4860878 -2.4626569
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1872 -2.9871562 -2.4860878 -2.4626569
|
|
1873 -2.9871562 -2.4860878 -2.4895035
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.489503504422
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1873 -2.9871562 -2.4895035 -2.4895035
|
|
1874 -2.9871562 -2.4895035 -2.4805372
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1874 -2.9871562 -2.4895035 -2.4805372
|
|
1875 -2.9871562 -2.4895035 -2.484854
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1875 -2.9871562 -2.4895035 -2.484854
|
|
1876 -2.9871562 -2.4895035 -2.4654681
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1876 -2.9871562 -2.4895035 -2.4654681
|
|
1877 -2.9871562 -2.4895035 -2.4740314
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1877 -2.9871562 -2.4895035 -2.4740314
|
|
1878 -2.9871562 -2.4895035 -2.48001
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1878 -2.9871562 -2.4895035 -2.48001
|
|
1879 -2.9871562 -2.4895035 -2.4920841
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.49208408611964
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1879 -2.9871562 -2.4920841 -2.4920841
|
|
1880 -2.9871562 -2.4920841 -2.4901269
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1880 -2.9871562 -2.4920841 -2.4901269
|
|
1881 -2.9871562 -2.4920841 -2.4843213
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1881 -2.9871562 -2.4920841 -2.4843213
|
|
1882 -2.9871562 -2.4920841 -2.4887094
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1882 -2.9871562 -2.4920841 -2.4887094
|
|
1883 -2.9871562 -2.4920841 -2.4993444
|
|
Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.49934442111392
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1883 -2.9871562 -2.4993444 -2.4993444
|
|
1884 -2.9871562 -2.4993444 -2.4786069
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1884 -2.9871562 -2.4993444 -2.4786069
|
|
1885 -2.9871562 -2.4993444 -2.504701
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.50470101517607
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1885 -2.9871562 -2.504701 -2.504701
|
|
1886 -2.9871562 -2.504701 -2.4831388
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1886 -2.9871562 -2.504701 -2.4831388
|
|
1887 -2.9871562 -2.504701 -2.5036569
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1887 -2.9871562 -2.504701 -2.5036569
|
|
1888 -2.9871562 -2.504701 -2.5002082
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1888 -2.9871562 -2.504701 -2.5002082
|
|
1889 -2.9871562 -2.504701 -2.5003338
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1889 -2.9871562 -2.504701 -2.5003338
|
|
1890 -2.9871562 -2.504701 -2.4948865
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1890 -2.9871562 -2.504701 -2.4948865
|
|
1891 -2.9871562 -2.504701 -2.5043391
|
|
Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1891 -2.9871562 -2.504701 -2.5043391
|
|
1892 -2.9871562 -2.504701 -2.4989849
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1892 -2.9871562 -2.504701 -2.4989849
|
|
1893 -2.9871562 -2.504701 -2.5069509
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.50695090147417
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1893 -2.9871562 -2.5069509 -2.5069509
|
|
1894 -2.9871562 -2.5069509 -2.499162
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1894 -2.9871562 -2.5069509 -2.499162
|
|
1895 -2.9871562 -2.5069509 -2.4808921
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1895 -2.9871562 -2.5069509 -2.4808921
|
|
1896 -2.9871562 -2.5069509 -2.4842534
|
|
Loop time of 8.79765e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1896 -2.9871562 -2.5069509 -2.4842534
|
|
1897 -2.9871562 -2.5069509 -2.4446084
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1897 -2.9871562 -2.5069509 -2.4446084
|
|
1898 -2.9871562 -2.5069509 -2.4282723
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1898 -2.9871562 -2.5069509 -2.4282723
|
|
1899 -2.9871562 -2.5069509 -2.472789
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1899 -2.9871562 -2.5069509 -2.472789
|
|
1900 -2.9871562 -2.5069509 -2.4915797
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1900 -2.9871562 -2.5069509 -2.4915797
|
|
1901 -2.9871562 -2.5069509 -2.5070698
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.50706978717038
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1901 -2.9871562 -2.5070698 -2.5070698
|
|
1902 -2.9871562 -2.5070698 -2.4961266
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1902 -2.9871562 -2.5070698 -2.4961266
|
|
1903 -2.9871562 -2.5070698 -2.5061474
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1903 -2.9871562 -2.5070698 -2.5061474
|
|
1904 -2.9871562 -2.5070698 -2.4852824
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1904 -2.9871562 -2.5070698 -2.4852824
|
|
1905 -2.9871562 -2.5070698 -2.4856076
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1905 -2.9871562 -2.5070698 -2.4856076
|
|
1906 -2.9871562 -2.5070698 -2.4808044
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1906 -2.9871562 -2.5070698 -2.4808044
|
|
1907 -2.9871562 -2.5070698 -2.5003825
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1907 -2.9871562 -2.5070698 -2.5003825
|
|
1908 -2.9871562 -2.5070698 -2.4977495
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1908 -2.9871562 -2.5070698 -2.4977495
|
|
1909 -2.9871562 -2.5070698 -2.5025979
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1909 -2.9871562 -2.5070698 -2.5025979
|
|
1910 -2.9871562 -2.5070698 -2.4791024
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1910 -2.9871562 -2.5070698 -2.4791024
|
|
1911 -2.9871562 -2.5070698 -2.500934
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1911 -2.9871562 -2.5070698 -2.500934
|
|
1912 -2.9871562 -2.5070698 -2.4848602
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1912 -2.9871562 -2.5070698 -2.4848602
|
|
1913 -2.9871562 -2.5070698 -2.5037724
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1913 -2.9871562 -2.5070698 -2.5037724
|
|
1914 -2.9871562 -2.5070698 -2.4764941
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1914 -2.9871562 -2.5070698 -2.4764941
|
|
1915 -2.9871562 -2.5070698 -2.5065427
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1915 -2.9871562 -2.5070698 -2.5065427
|
|
1916 -2.9871562 -2.5070698 -2.4976758
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1916 -2.9871562 -2.5070698 -2.4976758
|
|
1917 -2.9871562 -2.5070698 -2.4977505
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1917 -2.9871562 -2.5070698 -2.4977505
|
|
1918 -2.9871562 -2.5070698 -2.4949581
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1918 -2.9871562 -2.5070698 -2.4949581
|
|
1919 -2.9871562 -2.5070698 -2.4574094
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1919 -2.9871562 -2.5070698 -2.4574094
|
|
1920 -2.9871562 -2.5070698 -2.4966951
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1920 -2.9871562 -2.5070698 -2.4966951
|
|
1921 -2.9871562 -2.5070698 -2.4371692
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1921 -2.9871562 -2.5070698 -2.4371692
|
|
1922 -2.9871562 -2.5070698 -2.4921973
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1922 -2.9871562 -2.5070698 -2.4921973
|
|
1923 -2.9871562 -2.5070698 -2.4694121
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1923 -2.9871562 -2.5070698 -2.4694121
|
|
1924 -2.9871562 -2.5070698 -2.5087273
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.50872732674907
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1924 -2.9871562 -2.5087273 -2.5087273
|
|
1925 -2.9871562 -2.5087273 -2.4958796
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1925 -2.9871562 -2.5087273 -2.4958796
|
|
1926 -2.9871562 -2.5087273 -2.4838805
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1926 -2.9871562 -2.5087273 -2.4838805
|
|
1927 -2.9871562 -2.5087273 -2.463996
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1927 -2.9871562 -2.5087273 -2.463996
|
|
1928 -2.9871562 -2.5087273 -2.4874978
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1928 -2.9871562 -2.5087273 -2.4874978
|
|
1929 -2.9871562 -2.5087273 -2.4828372
|
|
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1929 -2.9871562 -2.5087273 -2.4828372
|
|
1930 -2.9871562 -2.5087273 -2.4968846
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1930 -2.9871562 -2.5087273 -2.4968846
|
|
1931 -2.9871562 -2.5087273 -2.4739854
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1931 -2.9871562 -2.5087273 -2.4739854
|
|
1932 -2.9871562 -2.5087273 -2.4427252
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1932 -2.9871562 -2.5087273 -2.4427252
|
|
1933 -2.9871562 -2.5087273 -2.4761387
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1933 -2.9871562 -2.5087273 -2.4761387
|
|
1934 -2.9871562 -2.5087273 -2.5085087
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.50850869697988
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1934 -2.9871562 -2.5085087 -2.5085087
|
|
1935 -2.9871562 -2.5085087 -2.503422
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1935 -2.9871562 -2.5085087 -2.503422
|
|
1936 -2.9871562 -2.5085087 -2.444144
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1936 -2.9871562 -2.5085087 -2.444144
|
|
1937 -2.9871562 -2.5085087 -2.5004332
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1937 -2.9871562 -2.5085087 -2.5004332
|
|
1938 -2.9871562 -2.5085087 -2.4959234
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1938 -2.9871562 -2.5085087 -2.4959234
|
|
1939 -2.9871562 -2.5085087 -2.5073139
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1939 -2.9871562 -2.5085087 -2.5073139
|
|
1940 -2.9871562 -2.5085087 -2.4784042
|
|
Loop time of 4.88758e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1940 -2.9871562 -2.5085087 -2.4784042
|
|
1941 -2.9871562 -2.5085087 -2.5044199
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1941 -2.9871562 -2.5085087 -2.5044199
|
|
1942 -2.9871562 -2.5085087 -2.4806604
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1942 -2.9871562 -2.5085087 -2.4806604
|
|
1943 -2.9871562 -2.5085087 -2.5052613
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1943 -2.9871562 -2.5085087 -2.5052613
|
|
1944 -2.9871562 -2.5085087 -2.4992906
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1944 -2.9871562 -2.5085087 -2.4992906
|
|
1945 -2.9871562 -2.5085087 -2.488125
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1945 -2.9871562 -2.5085087 -2.488125
|
|
1946 -2.9871562 -2.5085087 -2.4902633
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1946 -2.9871562 -2.5085087 -2.4902633
|
|
1947 -2.9871562 -2.5085087 -2.4997265
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1947 -2.9871562 -2.5085087 -2.4997265
|
|
1948 -2.9871562 -2.5085087 -2.4316804
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1948 -2.9871562 -2.5085087 -2.4316804
|
|
1949 -2.9871562 -2.5085087 -2.4969065
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1949 -2.9871562 -2.5085087 -2.4969065
|
|
1950 -2.9871562 -2.5085087 -2.4829298
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1950 -2.9871562 -2.5085087 -2.4829298
|
|
1951 -2.9871562 -2.5085087 -2.5094699
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.50946986767747
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1951 -2.9871562 -2.5094699 -2.5094699
|
|
1952 -2.9871562 -2.5094699 -2.5147544
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.51475439248721
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1952 -2.9871562 -2.5147544 -2.5147544
|
|
1953 -2.9871562 -2.5147544 -2.4206801
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1953 -2.9871562 -2.5147544 -2.4206801
|
|
1954 -2.9871562 -2.5147544 -2.4834863
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1954 -2.9871562 -2.5147544 -2.4834863
|
|
1955 -2.9871562 -2.5147544 -2.5146379
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.51463788096496
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1955 -2.9871562 -2.5146379 -2.5146379
|
|
1956 -2.9871562 -2.5146379 -2.4835431
|
|
Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1956 -2.9871562 -2.5146379 -2.4835431
|
|
1957 -2.9871562 -2.5146379 -2.492879
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1957 -2.9871562 -2.5146379 -2.492879
|
|
1958 -2.9871562 -2.5146379 -2.4761234
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1958 -2.9871562 -2.5146379 -2.4761234
|
|
1959 -2.9871562 -2.5146379 -2.5098496
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1959 -2.9871562 -2.5146379 -2.5098496
|
|
1960 -2.9871562 -2.5146379 -2.5125229
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1960 -2.9871562 -2.5146379 -2.5125229
|
|
1961 -2.9871562 -2.5146379 -2.4993885
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1961 -2.9871562 -2.5146379 -2.4993885
|
|
1962 -2.9871562 -2.5146379 -2.4503541
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1962 -2.9871562 -2.5146379 -2.4503541
|
|
1963 -2.9871562 -2.5146379 -2.5038369
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1963 -2.9871562 -2.5146379 -2.5038369
|
|
1964 -2.9871562 -2.5146379 -2.5057459
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1964 -2.9871562 -2.5146379 -2.5057459
|
|
1965 -2.9871562 -2.5146379 -2.4915128
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1965 -2.9871562 -2.5146379 -2.4915128
|
|
1966 -2.9871562 -2.5146379 -2.497458
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1966 -2.9871562 -2.5146379 -2.497458
|
|
1967 -2.9871562 -2.5146379 -2.5117293
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1967 -2.9871562 -2.5146379 -2.5117293
|
|
1968 -2.9871562 -2.5146379 -2.5111415
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1968 -2.9871562 -2.5146379 -2.5111415
|
|
1969 -2.9871562 -2.5146379 -2.472368
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1969 -2.9871562 -2.5146379 -2.472368
|
|
1970 -2.9871562 -2.5146379 -2.4875891
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1970 -2.9871562 -2.5146379 -2.4875891
|
|
1971 -2.9871562 -2.5146379 -2.5081606
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1971 -2.9871562 -2.5146379 -2.5081606
|
|
1972 -2.9871562 -2.5146379 -2.5031113
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1972 -2.9871562 -2.5146379 -2.5031113
|
|
1973 -2.9871562 -2.5146379 -2.516274
|
|
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.51627404970907
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1973 -2.9871562 -2.516274 -2.516274
|
|
1974 -2.9871562 -2.516274 -2.4525738
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1974 -2.9871562 -2.516274 -2.4525738
|
|
1975 -2.9871562 -2.516274 -2.5059452
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1975 -2.9871562 -2.516274 -2.5059452
|
|
1976 -2.9871562 -2.516274 -2.501573
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1976 -2.9871562 -2.516274 -2.501573
|
|
1977 -2.9871562 -2.516274 -2.4874773
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1977 -2.9871562 -2.516274 -2.4874773
|
|
1978 -2.9871562 -2.516274 -2.5113127
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1978 -2.9871562 -2.516274 -2.5113127
|
|
1979 -2.9871562 -2.516274 -2.5193207
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.51932071316889
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1979 -2.9871562 -2.5193207 -2.5193207
|
|
1980 -2.9871562 -2.5193207 -2.5096078
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1980 -2.9871562 -2.5193207 -2.5096078
|
|
1981 -2.9871562 -2.5193207 -2.5154231
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1981 -2.9871562 -2.5193207 -2.5154231
|
|
1982 -2.9871562 -2.5193207 -2.5102758
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1982 -2.9871562 -2.5193207 -2.5102758
|
|
1983 -2.9871562 -2.5193207 -2.47293
|
|
Loop time of 0.018646 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1983 -2.9871562 -2.5193207 -2.47293
|
|
1984 -2.9871562 -2.5193207 -2.4307308
|
|
Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1984 -2.9871562 -2.5193207 -2.4307308
|
|
1985 -2.9871562 -2.5193207 -2.5076374
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1985 -2.9871562 -2.5193207 -2.5076374
|
|
1986 -2.9871562 -2.5193207 -2.5094563
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1986 -2.9871562 -2.5193207 -2.5094563
|
|
1987 -2.9871562 -2.5193207 -2.4906501
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1987 -2.9871562 -2.5193207 -2.4906501
|
|
1988 -2.9871562 -2.5193207 -2.4772042
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1988 -2.9871562 -2.5193207 -2.4772042
|
|
1989 -2.9871562 -2.5193207 -2.5040117
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1989 -2.9871562 -2.5193207 -2.5040117
|
|
1990 -2.9871562 -2.5193207 -2.4863993
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1990 -2.9871562 -2.5193207 -2.4863993
|
|
1991 -2.9871562 -2.5193207 -2.5008386
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1991 -2.9871562 -2.5193207 -2.5008386
|
|
1992 -2.9871562 -2.5193207 -2.4938041
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1992 -2.9871562 -2.5193207 -2.4938041
|
|
1993 -2.9871562 -2.5193207 -2.5146266
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1993 -2.9871562 -2.5193207 -2.5146266
|
|
1994 -2.9871562 -2.5193207 -2.4999779
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1994 -2.9871562 -2.5193207 -2.4999779
|
|
1995 -2.9871562 -2.5193207 -2.5021984
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1995 -2.9871562 -2.5193207 -2.5021984
|
|
1996 -2.9871562 -2.5193207 -2.4957816
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1996 -2.9871562 -2.5193207 -2.4957816
|
|
1997 -2.9871562 -2.5193207 -2.49538
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1997 -2.9871562 -2.5193207 -2.49538
|
|
1998 -2.9871562 -2.5193207 -2.5143044
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1998 -2.9871562 -2.5193207 -2.5143044
|
|
1999 -2.9871562 -2.5193207 -2.5160461
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
1999 -2.9871562 -2.5193207 -2.5160461
|
|
2000 -2.9871562 -2.5193207 -2.5003398
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2000 -2.9871562 -2.5193207 -2.5003398
|
|
2001 -2.9871562 -2.5193207 -2.4957857
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2001 -2.9871562 -2.5193207 -2.4957857
|
|
2002 -2.9871562 -2.5193207 -2.5129111
|
|
Loop time of 5.00679e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2002 -2.9871562 -2.5193207 -2.5129111
|
|
2003 -2.9871562 -2.5193207 -2.5094234
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2003 -2.9871562 -2.5193207 -2.5094234
|
|
2004 -2.9871562 -2.5193207 -2.4898435
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2004 -2.9871562 -2.5193207 -2.4898435
|
|
2005 -2.9871562 -2.5193207 -2.4967409
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2005 -2.9871562 -2.5193207 -2.4967409
|
|
2006 -2.9871562 -2.5193207 -2.5115465
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2006 -2.9871562 -2.5193207 -2.5115465
|
|
2007 -2.9871562 -2.5193207 -2.5081754
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2007 -2.9871562 -2.5193207 -2.5081754
|
|
2008 -2.9871562 -2.5193207 -2.5168996
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2008 -2.9871562 -2.5193207 -2.5168996
|
|
2009 -2.9871562 -2.5193207 -2.521062
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.52106201194819
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2009 -2.9871562 -2.521062 -2.521062
|
|
2010 -2.9871562 -2.521062 -2.4980029
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2010 -2.9871562 -2.521062 -2.4980029
|
|
2011 -2.9871562 -2.521062 -2.5135785
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2011 -2.9871562 -2.521062 -2.5135785
|
|
2012 -2.9871562 -2.521062 -2.4920138
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2012 -2.9871562 -2.521062 -2.4920138
|
|
2013 -2.9871562 -2.521062 -2.5074504
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2013 -2.9871562 -2.521062 -2.5074504
|
|
2014 -2.9871562 -2.521062 -2.5012884
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2014 -2.9871562 -2.521062 -2.5012884
|
|
2015 -2.9871562 -2.521062 -2.448523
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2015 -2.9871562 -2.521062 -2.448523
|
|
2016 -2.9871562 -2.521062 -2.5169088
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2016 -2.9871562 -2.521062 -2.5169088
|
|
2017 -2.9871562 -2.521062 -2.5192124
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2017 -2.9871562 -2.521062 -2.5192124
|
|
2018 -2.9871562 -2.521062 -2.5015503
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2018 -2.9871562 -2.521062 -2.5015503
|
|
2019 -2.9871562 -2.521062 -2.5039422
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2019 -2.9871562 -2.521062 -2.5039422
|
|
2020 -2.9871562 -2.521062 -2.507748
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2020 -2.9871562 -2.521062 -2.507748
|
|
2021 -2.9871562 -2.521062 -2.466444
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2021 -2.9871562 -2.521062 -2.466444
|
|
2022 -2.9871562 -2.521062 -2.5084507
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2022 -2.9871562 -2.521062 -2.5084507
|
|
2023 -2.9871562 -2.521062 -2.5183633
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2023 -2.9871562 -2.521062 -2.5183633
|
|
2024 -2.9871562 -2.521062 -2.511068
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2024 -2.9871562 -2.521062 -2.511068
|
|
2025 -2.9871562 -2.521062 -2.4948137
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2025 -2.9871562 -2.521062 -2.4948137
|
|
2026 -2.9871562 -2.521062 -2.5118744
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2026 -2.9871562 -2.521062 -2.5118744
|
|
2027 -2.9871562 -2.521062 -2.5126211
|
|
Loop time of 4.50611e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2027 -2.9871562 -2.521062 -2.5126211
|
|
2028 -2.9871562 -2.521062 -2.519485
|
|
Loop time of 0.0187879 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2028 -2.9871562 -2.521062 -2.519485
|
|
2029 -2.9871562 -2.521062 -2.5110385
|
|
Loop time of 5.31673e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2029 -2.9871562 -2.521062 -2.5110385
|
|
2030 -2.9871562 -2.521062 -2.5076281
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2030 -2.9871562 -2.521062 -2.5076281
|
|
2031 -2.9871562 -2.521062 -2.5142772
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2031 -2.9871562 -2.521062 -2.5142772
|
|
2032 -2.9871562 -2.521062 -2.5097351
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2032 -2.9871562 -2.521062 -2.5097351
|
|
2033 -2.9871562 -2.521062 -2.4713392
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2033 -2.9871562 -2.521062 -2.4713392
|
|
2034 -2.9871562 -2.521062 -2.550074
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.5500739942336
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2034 -2.9871562 -2.550074 -2.550074
|
|
2035 -2.9871562 -2.550074 -2.5347815
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2035 -2.9871562 -2.550074 -2.5347815
|
|
2036 -2.9871562 -2.550074 -2.5627306
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.56273059473349
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2036 -2.9871562 -2.5627306 -2.5627306
|
|
2037 -2.9871562 -2.5627306 -2.5380333
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2037 -2.9871562 -2.5627306 -2.5380333
|
|
2038 -2.9871562 -2.5627306 -2.5599952
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2038 -2.9871562 -2.5627306 -2.5599952
|
|
2039 -2.9871562 -2.5627306 -2.5704164
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.57041636923468
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2039 -2.9871562 -2.5704164 -2.5704164
|
|
2040 -2.9871562 -2.5704164 -2.5470377
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2040 -2.9871562 -2.5704164 -2.5470377
|
|
2041 -2.9871562 -2.5704164 -2.5590638
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2041 -2.9871562 -2.5704164 -2.5590638
|
|
2042 -2.9871562 -2.5704164 -2.5616977
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2042 -2.9871562 -2.5704164 -2.5616977
|
|
2043 -2.9871562 -2.5704164 -2.571168
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.57116801050507
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2043 -2.9871562 -2.571168 -2.571168
|
|
2044 -2.9871562 -2.571168 -2.5704809
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2044 -2.9871562 -2.571168 -2.5704809
|
|
2045 -2.9871562 -2.571168 -2.5588465
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2045 -2.9871562 -2.571168 -2.5588465
|
|
2046 -2.9871562 -2.571168 -2.5408432
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2046 -2.9871562 -2.571168 -2.5408432
|
|
2047 -2.9871562 -2.571168 -2.5687019
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2047 -2.9871562 -2.571168 -2.5687019
|
|
2048 -2.9871562 -2.571168 -2.5434581
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2048 -2.9871562 -2.571168 -2.5434581
|
|
2049 -2.9871562 -2.571168 -2.5186658
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2049 -2.9871562 -2.571168 -2.5186658
|
|
2050 -2.9871562 -2.571168 -2.5660712
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2050 -2.9871562 -2.571168 -2.5660712
|
|
2051 -2.9871562 -2.571168 -2.5548102
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2051 -2.9871562 -2.571168 -2.5548102
|
|
2052 -2.9871562 -2.571168 -2.5627058
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2052 -2.9871562 -2.571168 -2.5627058
|
|
2053 -2.9871562 -2.571168 -2.5591071
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2053 -2.9871562 -2.571168 -2.5591071
|
|
2054 -2.9871562 -2.571168 -2.5709142
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2054 -2.9871562 -2.571168 -2.5709142
|
|
2055 -2.9871562 -2.571168 -2.5399572
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2055 -2.9871562 -2.571168 -2.5399572
|
|
2056 -2.9871562 -2.571168 -2.571475
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.57147503979369
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2056 -2.9871562 -2.571475 -2.571475
|
|
2057 -2.9871562 -2.571475 -2.5711485
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2057 -2.9871562 -2.571475 -2.5711485
|
|
2058 -2.9871562 -2.571475 -2.5713747
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.57137472767352
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2058 -2.9871562 -2.5713747 -2.5713747
|
|
2059 -2.9871562 -2.5713747 -2.5709173
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2059 -2.9871562 -2.5713747 -2.5709173
|
|
2060 -2.9871562 -2.5713747 -2.5567549
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2060 -2.9871562 -2.5713747 -2.5567549
|
|
2061 -2.9871562 -2.5713747 -2.5442243
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2061 -2.9871562 -2.5713747 -2.5442243
|
|
2062 -2.9871562 -2.5713747 -2.5588363
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2062 -2.9871562 -2.5713747 -2.5588363
|
|
2063 -2.9871562 -2.5713747 -2.5455054
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2063 -2.9871562 -2.5713747 -2.5455054
|
|
2064 -2.9871562 -2.5713747 -2.4891192
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2064 -2.9871562 -2.5713747 -2.4891192
|
|
2065 -2.9871562 -2.5713747 -2.5510332
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2065 -2.9871562 -2.5713747 -2.5510332
|
|
2066 -2.9871562 -2.5713747 -2.5755517
|
|
Loop time of 4.48227e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.57555167917578
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2066 -2.9871562 -2.5755517 -2.5755517
|
|
2067 -2.9871562 -2.5755517 -2.5468668
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2067 -2.9871562 -2.5755517 -2.5468668
|
|
2068 -2.9871562 -2.5755517 -2.5696717
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2068 -2.9871562 -2.5755517 -2.5696717
|
|
2069 -2.9871562 -2.5755517 -2.5636629
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2069 -2.9871562 -2.5755517 -2.5636629
|
|
2070 -2.9871562 -2.5755517 -2.5669283
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2070 -2.9871562 -2.5755517 -2.5669283
|
|
2071 -2.9871562 -2.5755517 -2.5411439
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2071 -2.9871562 -2.5755517 -2.5411439
|
|
2072 -2.9871562 -2.5755517 -2.5785645
|
|
Loop time of 0.000103951 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.57856453266304
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2072 -2.9871562 -2.5785645 -2.5785645
|
|
2073 -2.9871562 -2.5785645 -2.5692325
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2073 -2.9871562 -2.5785645 -2.5692325
|
|
2074 -2.9871562 -2.5785645 -2.5566766
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2074 -2.9871562 -2.5785645 -2.5566766
|
|
2075 -2.9871562 -2.5785645 -2.5665651
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2075 -2.9871562 -2.5785645 -2.5665651
|
|
2076 -2.9871562 -2.5785645 -2.5696304
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2076 -2.9871562 -2.5785645 -2.5696304
|
|
2077 -2.9871562 -2.5785645 -2.572394
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2077 -2.9871562 -2.5785645 -2.572394
|
|
2078 -2.9871562 -2.5785645 -2.5784029
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2078 -2.9871562 -2.5785645 -2.5784029
|
|
2079 -2.9871562 -2.5785645 -2.5581853
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2079 -2.9871562 -2.5785645 -2.5581853
|
|
2080 -2.9871562 -2.5785645 -2.5613093
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2080 -2.9871562 -2.5785645 -2.5613093
|
|
2081 -2.9871562 -2.5785645 -2.5771582
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2081 -2.9871562 -2.5785645 -2.5771582
|
|
2082 -2.9871562 -2.5785645 -2.5464059
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2082 -2.9871562 -2.5785645 -2.5464059
|
|
2083 -2.9871562 -2.5785645 -2.5761113
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2083 -2.9871562 -2.5785645 -2.5761113
|
|
2084 -2.9871562 -2.5785645 -2.5377841
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2084 -2.9871562 -2.5785645 -2.5377841
|
|
2085 -2.9871562 -2.5785645 -2.577717
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2085 -2.9871562 -2.5785645 -2.577717
|
|
2086 -2.9871562 -2.5785645 -2.5421365
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2086 -2.9871562 -2.5785645 -2.5421365
|
|
2087 -2.9871562 -2.5785645 -2.581916
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.58191602263009
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2087 -2.9871562 -2.581916 -2.581916
|
|
2088 -2.9871562 -2.581916 -2.5734521
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2088 -2.9871562 -2.581916 -2.5734521
|
|
2089 -2.9871562 -2.581916 -2.5277725
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2089 -2.9871562 -2.581916 -2.5277725
|
|
2090 -2.9871562 -2.581916 -2.5764198
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2090 -2.9871562 -2.581916 -2.5764198
|
|
2091 -2.9871562 -2.581916 -2.5783127
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2091 -2.9871562 -2.581916 -2.5783127
|
|
2092 -2.9871562 -2.581916 -2.5654565
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2092 -2.9871562 -2.581916 -2.5654565
|
|
2093 -2.9871562 -2.581916 -2.558033
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2093 -2.9871562 -2.581916 -2.558033
|
|
2094 -2.9871562 -2.581916 -2.5794522
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2094 -2.9871562 -2.581916 -2.5794522
|
|
2095 -2.9871562 -2.581916 -2.5718216
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2095 -2.9871562 -2.581916 -2.5718216
|
|
2096 -2.9871562 -2.581916 -2.5773094
|
|
Loop time of 4.41074e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2096 -2.9871562 -2.581916 -2.5773094
|
|
2097 -2.9871562 -2.581916 -2.5879941
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.58799411387139
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2097 -2.9871562 -2.5879941 -2.5879941
|
|
2098 -2.9871562 -2.5879941 -2.5762017
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2098 -2.9871562 -2.5879941 -2.5762017
|
|
2099 -2.9871562 -2.5879941 -2.5773507
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2099 -2.9871562 -2.5879941 -2.5773507
|
|
2100 -2.9871562 -2.5879941 -2.5753373
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2100 -2.9871562 -2.5879941 -2.5753373
|
|
2101 -2.9871562 -2.5879941 -2.5376016
|
|
Loop time of 7.82013e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2101 -2.9871562 -2.5879941 -2.5376016
|
|
2102 -2.9871562 -2.5879941 -2.5868002
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2102 -2.9871562 -2.5879941 -2.5868002
|
|
2103 -2.9871562 -2.5879941 -2.5710379
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2103 -2.9871562 -2.5879941 -2.5710379
|
|
2104 -2.9871562 -2.5879941 -2.5826698
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2104 -2.9871562 -2.5879941 -2.5826698
|
|
2105 -2.9871562 -2.5879941 -2.556959
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2105 -2.9871562 -2.5879941 -2.556959
|
|
2106 -2.9871562 -2.5879941 -2.5633348
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2106 -2.9871562 -2.5879941 -2.5633348
|
|
2107 -2.9871562 -2.5879941 -2.5626687
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2107 -2.9871562 -2.5879941 -2.5626687
|
|
2108 -2.9871562 -2.5879941 -2.5779324
|
|
Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2108 -2.9871562 -2.5879941 -2.5779324
|
|
2109 -2.9871562 -2.5879941 -2.5368548
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2109 -2.9871562 -2.5879941 -2.5368548
|
|
2110 -2.9871562 -2.5879941 -2.5775343
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2110 -2.9871562 -2.5879941 -2.5775343
|
|
2111 -2.9871562 -2.5879941 -2.5587554
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2111 -2.9871562 -2.5879941 -2.5587554
|
|
2112 -2.9871562 -2.5879941 -2.5474375
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2112 -2.9871562 -2.5879941 -2.5474375
|
|
2113 -2.9871562 -2.5879941 -2.5882684
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.58826840940136
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2113 -2.9871562 -2.5882684 -2.5882684
|
|
2114 -2.9871562 -2.5882684 -2.5742795
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2114 -2.9871562 -2.5882684 -2.5742795
|
|
2115 -2.9871562 -2.5882684 -2.587994
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.58799403176585
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2115 -2.9871562 -2.587994 -2.587994
|
|
2116 -2.9871562 -2.587994 -2.5393894
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2116 -2.9871562 -2.587994 -2.5393894
|
|
2117 -2.9871562 -2.587994 -2.5292242
|
|
Loop time of 9.39369e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2117 -2.9871562 -2.587994 -2.5292242
|
|
2118 -2.9871562 -2.587994 -2.5876363
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2118 -2.9871562 -2.587994 -2.5876363
|
|
2119 -2.9871562 -2.587994 -2.5789632
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2119 -2.9871562 -2.587994 -2.5789632
|
|
2120 -2.9871562 -2.587994 -2.5890733
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.58907327337283
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2120 -2.9871562 -2.5890733 -2.5890733
|
|
2121 -2.9871562 -2.5890733 -2.5788275
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2121 -2.9871562 -2.5890733 -2.5788275
|
|
2122 -2.9871562 -2.5890733 -2.5705712
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2122 -2.9871562 -2.5890733 -2.5705712
|
|
2123 -2.9871562 -2.5890733 -2.5704258
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2123 -2.9871562 -2.5890733 -2.5704258
|
|
2124 -2.9871562 -2.5890733 -2.5739983
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2124 -2.9871562 -2.5890733 -2.5739983
|
|
2125 -2.9871562 -2.5890733 -2.5753836
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2125 -2.9871562 -2.5890733 -2.5753836
|
|
2126 -2.9871562 -2.5890733 -2.4970786
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2126 -2.9871562 -2.5890733 -2.4970786
|
|
2127 -2.9871562 -2.5890733 -2.5744483
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2127 -2.9871562 -2.5890733 -2.5744483
|
|
2128 -2.9871562 -2.5890733 -2.5870673
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2128 -2.9871562 -2.5890733 -2.5870673
|
|
2129 -2.9871562 -2.5890733 -2.5745665
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2129 -2.9871562 -2.5890733 -2.5745665
|
|
2130 -2.9871562 -2.5890733 -2.5330783
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2130 -2.9871562 -2.5890733 -2.5330783
|
|
2131 -2.9871562 -2.5890733 -2.5709539
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2131 -2.9871562 -2.5890733 -2.5709539
|
|
2132 -2.9871562 -2.5890733 -2.5673661
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2132 -2.9871562 -2.5890733 -2.5673661
|
|
2133 -2.9871562 -2.5890733 -2.5483965
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2133 -2.9871562 -2.5890733 -2.5483965
|
|
2134 -2.9871562 -2.5890733 -2.583775
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2134 -2.9871562 -2.5890733 -2.583775
|
|
2135 -2.9871562 -2.5890733 -2.5503951
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2135 -2.9871562 -2.5890733 -2.5503951
|
|
2136 -2.9871562 -2.5890733 -2.5878601
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2136 -2.9871562 -2.5890733 -2.5878601
|
|
2137 -2.9871562 -2.5890733 -2.5864663
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2137 -2.9871562 -2.5890733 -2.5864663
|
|
2138 -2.9871562 -2.5890733 -2.5717993
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2138 -2.9871562 -2.5890733 -2.5717993
|
|
2139 -2.9871562 -2.5890733 -2.5856025
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2139 -2.9871562 -2.5890733 -2.5856025
|
|
2140 -2.9871562 -2.5890733 -2.5276463
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2140 -2.9871562 -2.5890733 -2.5276463
|
|
2141 -2.9871562 -2.5890733 -2.5641464
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2141 -2.9871562 -2.5890733 -2.5641464
|
|
2142 -2.9871562 -2.5890733 -2.5935571
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.59355708115379
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2142 -2.9871562 -2.5935571 -2.5935571
|
|
2143 -2.9871562 -2.5935571 -2.5880155
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2143 -2.9871562 -2.5935571 -2.5880155
|
|
2144 -2.9871562 -2.5935571 -2.49708
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2144 -2.9871562 -2.5935571 -2.49708
|
|
2145 -2.9871562 -2.5935571 -2.5960533
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.5960533240589
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2145 -2.9871562 -2.5960533 -2.5960533
|
|
2146 -2.9871562 -2.5960533 -2.5921811
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2146 -2.9871562 -2.5960533 -2.5921811
|
|
2147 -2.9871562 -2.5960533 -2.5973969
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.59739688639251
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2147 -2.9871562 -2.5973969 -2.5973969
|
|
2148 -2.9871562 -2.5973969 -2.5922761
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2148 -2.9871562 -2.5973969 -2.5922761
|
|
2149 -2.9871562 -2.5973969 -2.5932418
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2149 -2.9871562 -2.5973969 -2.5932418
|
|
2150 -2.9871562 -2.5973969 -2.5871824
|
|
Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2150 -2.9871562 -2.5973969 -2.5871824
|
|
2151 -2.9871562 -2.5973969 -2.590908
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2151 -2.9871562 -2.5973969 -2.590908
|
|
2152 -2.9871562 -2.5973969 -2.5523902
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2152 -2.9871562 -2.5973969 -2.5523902
|
|
2153 -2.9871562 -2.5973969 -2.5919863
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2153 -2.9871562 -2.5973969 -2.5919863
|
|
2154 -2.9871562 -2.5973969 -2.5873502
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2154 -2.9871562 -2.5973969 -2.5873502
|
|
2155 -2.9871562 -2.5973969 -2.5543786
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2155 -2.9871562 -2.5973969 -2.5543786
|
|
2156 -2.9871562 -2.5973969 -2.5606683
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2156 -2.9871562 -2.5973969 -2.5606683
|
|
2157 -2.9871562 -2.5973969 -2.5950088
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2157 -2.9871562 -2.5973969 -2.5950088
|
|
2158 -2.9871562 -2.5973969 -2.5753639
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2158 -2.9871562 -2.5973969 -2.5753639
|
|
2159 -2.9871562 -2.5973969 -2.5948223
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2159 -2.9871562 -2.5973969 -2.5948223
|
|
2160 -2.9871562 -2.5973969 -2.5742459
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2160 -2.9871562 -2.5973969 -2.5742459
|
|
2161 -2.9871562 -2.5973969 -2.4955821
|
|
Loop time of 8.67844e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2161 -2.9871562 -2.5973969 -2.4955821
|
|
2162 -2.9871562 -2.5973969 -2.5669662
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2162 -2.9871562 -2.5973969 -2.5669662
|
|
2163 -2.9871562 -2.5973969 -2.578407
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2163 -2.9871562 -2.5973969 -2.578407
|
|
2164 -2.9871562 -2.5973969 -2.5923467
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2164 -2.9871562 -2.5973969 -2.5923467
|
|
2165 -2.9871562 -2.5973969 -2.5905665
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2165 -2.9871562 -2.5973969 -2.5905665
|
|
2166 -2.9871562 -2.5973969 -2.5957782
|
|
Loop time of 4.50611e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2166 -2.9871562 -2.5973969 -2.5957782
|
|
2167 -2.9871562 -2.5973969 -2.5777569
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2167 -2.9871562 -2.5973969 -2.5777569
|
|
2168 -2.9871562 -2.5973969 -2.5998862
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.59988617826497
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2168 -2.9871562 -2.5998862 -2.5998862
|
|
2169 -2.9871562 -2.5998862 -2.5875574
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2169 -2.9871562 -2.5998862 -2.5875574
|
|
2170 -2.9871562 -2.5998862 -2.5763928
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2170 -2.9871562 -2.5998862 -2.5763928
|
|
2171 -2.9871562 -2.5998862 -2.567946
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2171 -2.9871562 -2.5998862 -2.567946
|
|
2172 -2.9871562 -2.5998862 -2.5958392
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2172 -2.9871562 -2.5998862 -2.5958392
|
|
2173 -2.9871562 -2.5998862 -2.6032135
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.60321348206447
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2173 -2.9871562 -2.6032135 -2.6032135
|
|
2174 -2.9871562 -2.6032135 -2.5998545
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2174 -2.9871562 -2.6032135 -2.5998545
|
|
2175 -2.9871562 -2.6032135 -2.5851164
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2175 -2.9871562 -2.6032135 -2.5851164
|
|
2176 -2.9871562 -2.6032135 -2.5858228
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2176 -2.9871562 -2.6032135 -2.5858228
|
|
2177 -2.9871562 -2.6032135 -2.5997215
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2177 -2.9871562 -2.6032135 -2.5997215
|
|
2178 -2.9871562 -2.6032135 -2.5896151
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2178 -2.9871562 -2.6032135 -2.5896151
|
|
2179 -2.9871562 -2.6032135 -2.5838914
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2179 -2.9871562 -2.6032135 -2.5838914
|
|
2180 -2.9871562 -2.6032135 -2.5927984
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2180 -2.9871562 -2.6032135 -2.5927984
|
|
2181 -2.9871562 -2.6032135 -2.5687188
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2181 -2.9871562 -2.6032135 -2.5687188
|
|
2182 -2.9871562 -2.6032135 -2.579359
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2182 -2.9871562 -2.6032135 -2.579359
|
|
2183 -2.9871562 -2.6032135 -2.5825829
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2183 -2.9871562 -2.6032135 -2.5825829
|
|
2184 -2.9871562 -2.6032135 -2.5967383
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2184 -2.9871562 -2.6032135 -2.5967383
|
|
2185 -2.9871562 -2.6032135 -2.5857313
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2185 -2.9871562 -2.6032135 -2.5857313
|
|
2186 -2.9871562 -2.6032135 -2.5883973
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2186 -2.9871562 -2.6032135 -2.5883973
|
|
2187 -2.9871562 -2.6032135 -2.6046378
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.60463778206056
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2187 -2.9871562 -2.6046378 -2.6046378
|
|
2188 -2.9871562 -2.6046378 -2.6033384
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2188 -2.9871562 -2.6046378 -2.6033384
|
|
2189 -2.9871562 -2.6046378 -2.5911346
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2189 -2.9871562 -2.6046378 -2.5911346
|
|
2190 -2.9871562 -2.6046378 -2.6001093
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2190 -2.9871562 -2.6046378 -2.6001093
|
|
2191 -2.9871562 -2.6046378 -2.6070816
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.60708163603009
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2191 -2.9871562 -2.6070816 -2.6070816
|
|
2192 -2.9871562 -2.6070816 -2.598462
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2192 -2.9871562 -2.6070816 -2.598462
|
|
2193 -2.9871562 -2.6070816 -2.5829837
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2193 -2.9871562 -2.6070816 -2.5829837
|
|
2194 -2.9871562 -2.6070816 -2.5930713
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2194 -2.9871562 -2.6070816 -2.5930713
|
|
2195 -2.9871562 -2.6070816 -2.6022968
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2195 -2.9871562 -2.6070816 -2.6022968
|
|
2196 -2.9871562 -2.6070816 -2.5973973
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2196 -2.9871562 -2.6070816 -2.5973973
|
|
2197 -2.9871562 -2.6070816 -2.5747028
|
|
Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2197 -2.9871562 -2.6070816 -2.5747028
|
|
2198 -2.9871562 -2.6070816 -2.569216
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2198 -2.9871562 -2.6070816 -2.569216
|
|
2199 -2.9871562 -2.6070816 -2.5691656
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2199 -2.9871562 -2.6070816 -2.5691656
|
|
2200 -2.9871562 -2.6070816 -2.6020146
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2200 -2.9871562 -2.6070816 -2.6020146
|
|
2201 -2.9871562 -2.6070816 -2.6123581
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.61235810581804
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2201 -2.9871562 -2.6123581 -2.6123581
|
|
2202 -2.9871562 -2.6123581 -2.5875621
|
|
Loop time of 4.41074e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2202 -2.9871562 -2.6123581 -2.5875621
|
|
2203 -2.9871562 -2.6123581 -2.6016576
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2203 -2.9871562 -2.6123581 -2.6016576
|
|
2204 -2.9871562 -2.6123581 -2.6049874
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2204 -2.9871562 -2.6123581 -2.6049874
|
|
2205 -2.9871562 -2.6123581 -2.611724
|
|
Loop time of 4.88758e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.61172395985734
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2205 -2.9871562 -2.611724 -2.611724
|
|
2206 -2.9871562 -2.611724 -2.5986014
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2206 -2.9871562 -2.611724 -2.5986014
|
|
2207 -2.9871562 -2.611724 -2.6023438
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2207 -2.9871562 -2.611724 -2.6023438
|
|
2208 -2.9871562 -2.611724 -2.6019875
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2208 -2.9871562 -2.611724 -2.6019875
|
|
2209 -2.9871562 -2.611724 -2.5903561
|
|
Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2209 -2.9871562 -2.611724 -2.5903561
|
|
2210 -2.9871562 -2.611724 -2.5955807
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2210 -2.9871562 -2.611724 -2.5955807
|
|
2211 -2.9871562 -2.611724 -2.5938353
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2211 -2.9871562 -2.611724 -2.5938353
|
|
2212 -2.9871562 -2.611724 -2.611756
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.6117559829865
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2212 -2.9871562 -2.611756 -2.611756
|
|
2213 -2.9871562 -2.611756 -2.6089593
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2213 -2.9871562 -2.611756 -2.6089593
|
|
2214 -2.9871562 -2.611756 -2.5910609
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2214 -2.9871562 -2.611756 -2.5910609
|
|
2215 -2.9871562 -2.611756 -2.5934286
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2215 -2.9871562 -2.611756 -2.5934286
|
|
2216 -2.9871562 -2.611756 -2.5956726
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2216 -2.9871562 -2.611756 -2.5956726
|
|
2217 -2.9871562 -2.611756 -2.5967612
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2217 -2.9871562 -2.611756 -2.5967612
|
|
2218 -2.9871562 -2.611756 -2.6013446
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2218 -2.9871562 -2.611756 -2.6013446
|
|
2219 -2.9871562 -2.611756 -2.5843326
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2219 -2.9871562 -2.611756 -2.5843326
|
|
2220 -2.9871562 -2.611756 -2.5717464
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2220 -2.9871562 -2.611756 -2.5717464
|
|
2221 -2.9871562 -2.611756 -2.5859433
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2221 -2.9871562 -2.611756 -2.5859433
|
|
2222 -2.9871562 -2.611756 -2.5610081
|
|
Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2222 -2.9871562 -2.611756 -2.5610081
|
|
2223 -2.9871562 -2.611756 -2.5717244
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2223 -2.9871562 -2.611756 -2.5717244
|
|
2224 -2.9871562 -2.611756 -2.6138919
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.61389194080373
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2224 -2.9871562 -2.6138919 -2.6138919
|
|
2225 -2.9871562 -2.6138919 -2.6001699
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2225 -2.9871562 -2.6138919 -2.6001699
|
|
2226 -2.9871562 -2.6138919 -2.606812
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2226 -2.9871562 -2.6138919 -2.606812
|
|
2227 -2.9871562 -2.6138919 -2.5990447
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2227 -2.9871562 -2.6138919 -2.5990447
|
|
2228 -2.9871562 -2.6138919 -2.5725201
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2228 -2.9871562 -2.6138919 -2.5725201
|
|
2229 -2.9871562 -2.6138919 -2.6008424
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2229 -2.9871562 -2.6138919 -2.6008424
|
|
2230 -2.9871562 -2.6138919 -2.5795192
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2230 -2.9871562 -2.6138919 -2.5795192
|
|
2231 -2.9871562 -2.6138919 -2.6028772
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2231 -2.9871562 -2.6138919 -2.6028772
|
|
2232 -2.9871562 -2.6138919 -2.5989668
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2232 -2.9871562 -2.6138919 -2.5989668
|
|
2233 -2.9871562 -2.6138919 -2.6074187
|
|
Loop time of 4.41074e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2233 -2.9871562 -2.6138919 -2.6074187
|
|
2234 -2.9871562 -2.6138919 -2.6092558
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2234 -2.9871562 -2.6138919 -2.6092558
|
|
2235 -2.9871562 -2.6138919 -2.5891511
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2235 -2.9871562 -2.6138919 -2.5891511
|
|
2236 -2.9871562 -2.6138919 -2.6125204
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2236 -2.9871562 -2.6138919 -2.6125204
|
|
2237 -2.9871562 -2.6138919 -2.6069041
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2237 -2.9871562 -2.6138919 -2.6069041
|
|
2238 -2.9871562 -2.6138919 -2.5879925
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2238 -2.9871562 -2.6138919 -2.5879925
|
|
2239 -2.9871562 -2.6138919 -2.5612203
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2239 -2.9871562 -2.6138919 -2.5612203
|
|
2240 -2.9871562 -2.6138919 -2.5967405
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2240 -2.9871562 -2.6138919 -2.5967405
|
|
2241 -2.9871562 -2.6138919 -2.5855136
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2241 -2.9871562 -2.6138919 -2.5855136
|
|
2242 -2.9871562 -2.6138919 -2.6025418
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2242 -2.9871562 -2.6138919 -2.6025418
|
|
2243 -2.9871562 -2.6138919 -2.6110092
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2243 -2.9871562 -2.6138919 -2.6110092
|
|
2244 -2.9871562 -2.6138919 -2.6103417
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2244 -2.9871562 -2.6138919 -2.6103417
|
|
2245 -2.9871562 -2.6138919 -2.5795785
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2245 -2.9871562 -2.6138919 -2.5795785
|
|
2246 -2.9871562 -2.6138919 -2.6083334
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2246 -2.9871562 -2.6138919 -2.6083334
|
|
2247 -2.9871562 -2.6138919 -2.590974
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2247 -2.9871562 -2.6138919 -2.590974
|
|
2248 -2.9871562 -2.6138919 -2.5997264
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2248 -2.9871562 -2.6138919 -2.5997264
|
|
2249 -2.9871562 -2.6138919 -2.5425732
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2249 -2.9871562 -2.6138919 -2.5425732
|
|
2250 -2.9871562 -2.6138919 -2.6033303
|
|
Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2250 -2.9871562 -2.6138919 -2.6033303
|
|
2251 -2.9871562 -2.6138919 -2.5957582
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2251 -2.9871562 -2.6138919 -2.5957582
|
|
2252 -2.9871562 -2.6138919 -2.5939624
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2252 -2.9871562 -2.6138919 -2.5939624
|
|
2253 -2.9871562 -2.6138919 -2.59737
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2253 -2.9871562 -2.6138919 -2.59737
|
|
2254 -2.9871562 -2.6138919 -2.6082368
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2254 -2.9871562 -2.6138919 -2.6082368
|
|
2255 -2.9871562 -2.6138919 -2.60243
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2255 -2.9871562 -2.6138919 -2.60243
|
|
2256 -2.9871562 -2.6138919 -2.5848848
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2256 -2.9871562 -2.6138919 -2.5848848
|
|
2257 -2.9871562 -2.6138919 -2.5416642
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2257 -2.9871562 -2.6138919 -2.5416642
|
|
2258 -2.9871562 -2.6138919 -2.6081163
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2258 -2.9871562 -2.6138919 -2.6081163
|
|
2259 -2.9871562 -2.6138919 -2.586532
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2259 -2.9871562 -2.6138919 -2.586532
|
|
2260 -2.9871562 -2.6138919 -2.5651239
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2260 -2.9871562 -2.6138919 -2.5651239
|
|
2261 -2.9871562 -2.6138919 -2.602186
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2261 -2.9871562 -2.6138919 -2.602186
|
|
2262 -2.9871562 -2.6138919 -2.5872098
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2262 -2.9871562 -2.6138919 -2.5872098
|
|
2263 -2.9871562 -2.6138919 -2.5877555
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2263 -2.9871562 -2.6138919 -2.5877555
|
|
2264 -2.9871562 -2.6138919 -2.6093764
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2264 -2.9871562 -2.6138919 -2.6093764
|
|
2265 -2.9871562 -2.6138919 -2.614764
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.61476398362196
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2265 -2.9871562 -2.614764 -2.614764
|
|
2266 -2.9871562 -2.614764 -2.6116651
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2266 -2.9871562 -2.614764 -2.6116651
|
|
2267 -2.9871562 -2.614764 -2.6068309
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2267 -2.9871562 -2.614764 -2.6068309
|
|
2268 -2.9871562 -2.614764 -2.6088355
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2268 -2.9871562 -2.614764 -2.6088355
|
|
2269 -2.9871562 -2.614764 -2.6098227
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2269 -2.9871562 -2.614764 -2.6098227
|
|
2270 -2.9871562 -2.614764 -2.599594
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2270 -2.9871562 -2.614764 -2.599594
|
|
2271 -2.9871562 -2.614764 -2.6023019
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2271 -2.9871562 -2.614764 -2.6023019
|
|
2272 -2.9871562 -2.614764 -2.5941316
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2272 -2.9871562 -2.614764 -2.5941316
|
|
2273 -2.9871562 -2.614764 -2.6097555
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2273 -2.9871562 -2.614764 -2.6097555
|
|
2274 -2.9871562 -2.614764 -2.6049845
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2274 -2.9871562 -2.614764 -2.6049845
|
|
2275 -2.9871562 -2.614764 -2.6067413
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2275 -2.9871562 -2.614764 -2.6067413
|
|
2276 -2.9871562 -2.614764 -2.6206083
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.62060829210683
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2276 -2.9871562 -2.6206083 -2.6206083
|
|
2277 -2.9871562 -2.6206083 -2.619341
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2277 -2.9871562 -2.6206083 -2.619341
|
|
2278 -2.9871562 -2.6206083 -2.5997475
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2278 -2.9871562 -2.6206083 -2.5997475
|
|
2279 -2.9871562 -2.6206083 -2.6025242
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2279 -2.9871562 -2.6206083 -2.6025242
|
|
2280 -2.9871562 -2.6206083 -2.6023413
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2280 -2.9871562 -2.6206083 -2.6023413
|
|
2281 -2.9871562 -2.6206083 -2.6121339
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2281 -2.9871562 -2.6206083 -2.6121339
|
|
2282 -2.9871562 -2.6206083 -2.5988173
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2282 -2.9871562 -2.6206083 -2.5988173
|
|
2283 -2.9871562 -2.6206083 -2.5884605
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2283 -2.9871562 -2.6206083 -2.5884605
|
|
2284 -2.9871562 -2.6206083 -2.5864464
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2284 -2.9871562 -2.6206083 -2.5864464
|
|
2285 -2.9871562 -2.6206083 -2.6009189
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2285 -2.9871562 -2.6206083 -2.6009189
|
|
2286 -2.9871562 -2.6206083 -2.6121743
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2286 -2.9871562 -2.6206083 -2.6121743
|
|
2287 -2.9871562 -2.6206083 -2.6171841
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2287 -2.9871562 -2.6206083 -2.6171841
|
|
2288 -2.9871562 -2.6206083 -2.5947596
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2288 -2.9871562 -2.6206083 -2.5947596
|
|
2289 -2.9871562 -2.6206083 -2.5926102
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2289 -2.9871562 -2.6206083 -2.5926102
|
|
2290 -2.9871562 -2.6206083 -2.6144907
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2290 -2.9871562 -2.6206083 -2.6144907
|
|
2291 -2.9871562 -2.6206083 -2.6192377
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2291 -2.9871562 -2.6206083 -2.6192377
|
|
2292 -2.9871562 -2.6206083 -2.618253
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2292 -2.9871562 -2.6206083 -2.618253
|
|
2293 -2.9871562 -2.6206083 -2.5969881
|
|
Loop time of 0.0184851 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2293 -2.9871562 -2.6206083 -2.5969881
|
|
2294 -2.9871562 -2.6206083 -2.5002271
|
|
Loop time of 4.72069e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2294 -2.9871562 -2.6206083 -2.5002271
|
|
2295 -2.9871562 -2.6206083 -2.5905416
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2295 -2.9871562 -2.6206083 -2.5905416
|
|
2296 -2.9871562 -2.6206083 -2.6222559
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.62225587673291
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2296 -2.9871562 -2.6222559 -2.6222559
|
|
2297 -2.9871562 -2.6222559 -2.5941342
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2297 -2.9871562 -2.6222559 -2.5941342
|
|
2298 -2.9871562 -2.6222559 -2.6169799
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2298 -2.9871562 -2.6222559 -2.6169799
|
|
2299 -2.9871562 -2.6222559 -2.6156457
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2299 -2.9871562 -2.6222559 -2.6156457
|
|
2300 -2.9871562 -2.6222559 -2.6192739
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2300 -2.9871562 -2.6222559 -2.6192739
|
|
2301 -2.9871562 -2.6222559 -2.6153697
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2301 -2.9871562 -2.6222559 -2.6153697
|
|
2302 -2.9871562 -2.6222559 -2.5991582
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2302 -2.9871562 -2.6222559 -2.5991582
|
|
2303 -2.9871562 -2.6222559 -2.6167389
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2303 -2.9871562 -2.6222559 -2.6167389
|
|
2304 -2.9871562 -2.6222559 -2.5936506
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2304 -2.9871562 -2.6222559 -2.5936506
|
|
2305 -2.9871562 -2.6222559 -2.6049993
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2305 -2.9871562 -2.6222559 -2.6049993
|
|
2306 -2.9871562 -2.6222559 -2.6015925
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2306 -2.9871562 -2.6222559 -2.6015925
|
|
2307 -2.9871562 -2.6222559 -2.5887121
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2307 -2.9871562 -2.6222559 -2.5887121
|
|
2308 -2.9871562 -2.6222559 -2.5883806
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2308 -2.9871562 -2.6222559 -2.5883806
|
|
2309 -2.9871562 -2.6222559 -2.6070695
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2309 -2.9871562 -2.6222559 -2.6070695
|
|
2310 -2.9871562 -2.6222559 -2.5706542
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2310 -2.9871562 -2.6222559 -2.5706542
|
|
2311 -2.9871562 -2.6222559 -2.5898004
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2311 -2.9871562 -2.6222559 -2.5898004
|
|
2312 -2.9871562 -2.6222559 -2.6204453
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2312 -2.9871562 -2.6222559 -2.6204453
|
|
2313 -2.9871562 -2.6222559 -2.6071908
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2313 -2.9871562 -2.6222559 -2.6071908
|
|
2314 -2.9871562 -2.6222559 -2.6199548
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2314 -2.9871562 -2.6222559 -2.6199548
|
|
2315 -2.9871562 -2.6222559 -2.5911222
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2315 -2.9871562 -2.6222559 -2.5911222
|
|
2316 -2.9871562 -2.6222559 -2.611866
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2316 -2.9871562 -2.6222559 -2.611866
|
|
2317 -2.9871562 -2.6222559 -2.5911059
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2317 -2.9871562 -2.6222559 -2.5911059
|
|
2318 -2.9871562 -2.6222559 -2.5841384
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2318 -2.9871562 -2.6222559 -2.5841384
|
|
2319 -2.9871562 -2.6222559 -2.6102261
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2319 -2.9871562 -2.6222559 -2.6102261
|
|
2320 -2.9871562 -2.6222559 -2.5962552
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2320 -2.9871562 -2.6222559 -2.5962552
|
|
2321 -2.9871562 -2.6222559 -2.5983063
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2321 -2.9871562 -2.6222559 -2.5983063
|
|
2322 -2.9871562 -2.6222559 -2.6131648
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2322 -2.9871562 -2.6222559 -2.6131648
|
|
2323 -2.9871562 -2.6222559 -2.6184357
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2323 -2.9871562 -2.6222559 -2.6184357
|
|
2324 -2.9871562 -2.6222559 -2.6146278
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2324 -2.9871562 -2.6222559 -2.6146278
|
|
2325 -2.9871562 -2.6222559 -2.5989872
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2325 -2.9871562 -2.6222559 -2.5989872
|
|
2326 -2.9871562 -2.6222559 -2.6211206
|
|
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2326 -2.9871562 -2.6222559 -2.6211206
|
|
2327 -2.9871562 -2.6222559 -2.6098728
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2327 -2.9871562 -2.6222559 -2.6098728
|
|
2328 -2.9871562 -2.6222559 -2.613088
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2328 -2.9871562 -2.6222559 -2.613088
|
|
2329 -2.9871562 -2.6222559 -2.6193888
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2329 -2.9871562 -2.6222559 -2.6193888
|
|
2330 -2.9871562 -2.6222559 -2.5714781
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2330 -2.9871562 -2.6222559 -2.5714781
|
|
2331 -2.9871562 -2.6222559 -2.6121439
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2331 -2.9871562 -2.6222559 -2.6121439
|
|
2332 -2.9871562 -2.6222559 -2.5945403
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2332 -2.9871562 -2.6222559 -2.5945403
|
|
2333 -2.9871562 -2.6222559 -2.6133917
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2333 -2.9871562 -2.6222559 -2.6133917
|
|
2334 -2.9871562 -2.6222559 -2.6143269
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2334 -2.9871562 -2.6222559 -2.6143269
|
|
2335 -2.9871562 -2.6222559 -2.5626136
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2335 -2.9871562 -2.6222559 -2.5626136
|
|
2336 -2.9871562 -2.6222559 -2.6134758
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2336 -2.9871562 -2.6222559 -2.6134758
|
|
2337 -2.9871562 -2.6222559 -2.5863639
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2337 -2.9871562 -2.6222559 -2.5863639
|
|
2338 -2.9871562 -2.6222559 -2.6081975
|
|
Loop time of 0.018522 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2338 -2.9871562 -2.6222559 -2.6081975
|
|
2339 -2.9871562 -2.6222559 -2.6290976
|
|
Loop time of 4.91142e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.62909756752494
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2339 -2.9871562 -2.6290976 -2.6290976
|
|
2340 -2.9871562 -2.6290976 -2.6156786
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2340 -2.9871562 -2.6290976 -2.6156786
|
|
2341 -2.9871562 -2.6290976 -2.5949938
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2341 -2.9871562 -2.6290976 -2.5949938
|
|
2342 -2.9871562 -2.6290976 -2.62045
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2342 -2.9871562 -2.6290976 -2.62045
|
|
2343 -2.9871562 -2.6290976 -2.5842131
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2343 -2.9871562 -2.6290976 -2.5842131
|
|
2344 -2.9871562 -2.6290976 -2.5873404
|
|
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2344 -2.9871562 -2.6290976 -2.5873404
|
|
2345 -2.9871562 -2.6290976 -2.6012281
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2345 -2.9871562 -2.6290976 -2.6012281
|
|
2346 -2.9871562 -2.6290976 -2.6242245
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2346 -2.9871562 -2.6290976 -2.6242245
|
|
2347 -2.9871562 -2.6290976 -2.6235449
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2347 -2.9871562 -2.6290976 -2.6235449
|
|
2348 -2.9871562 -2.6290976 -2.6105725
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2348 -2.9871562 -2.6290976 -2.6105725
|
|
2349 -2.9871562 -2.6290976 -2.6309479
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.63094788800596
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2349 -2.9871562 -2.6309479 -2.6309479
|
|
2350 -2.9871562 -2.6309479 -2.5878581
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2350 -2.9871562 -2.6309479 -2.5878581
|
|
2351 -2.9871562 -2.6309479 -2.6262203
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2351 -2.9871562 -2.6309479 -2.6262203
|
|
2352 -2.9871562 -2.6309479 -2.6282556
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2352 -2.9871562 -2.6309479 -2.6282556
|
|
2353 -2.9871562 -2.6309479 -2.6287092
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2353 -2.9871562 -2.6309479 -2.6287092
|
|
2354 -2.9871562 -2.6309479 -2.6109499
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2354 -2.9871562 -2.6309479 -2.6109499
|
|
2355 -2.9871562 -2.6309479 -2.6237081
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2355 -2.9871562 -2.6309479 -2.6237081
|
|
2356 -2.9871562 -2.6309479 -2.5773871
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2356 -2.9871562 -2.6309479 -2.5773871
|
|
2357 -2.9871562 -2.6309479 -2.6374126
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.63741256801761
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2357 -2.9871562 -2.6374126 -2.6374126
|
|
2358 -2.9871562 -2.6374126 -2.6308665
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2358 -2.9871562 -2.6374126 -2.6308665
|
|
2359 -2.9871562 -2.6374126 -2.6309639
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2359 -2.9871562 -2.6374126 -2.6309639
|
|
2360 -2.9871562 -2.6374126 -2.6366927
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2360 -2.9871562 -2.6374126 -2.6366927
|
|
2361 -2.9871562 -2.6374126 -2.6123888
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2361 -2.9871562 -2.6374126 -2.6123888
|
|
2362 -2.9871562 -2.6374126 -2.6037318
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2362 -2.9871562 -2.6374126 -2.6037318
|
|
2363 -2.9871562 -2.6374126 -2.6049738
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2363 -2.9871562 -2.6374126 -2.6049738
|
|
2364 -2.9871562 -2.6374126 -2.5906823
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2364 -2.9871562 -2.6374126 -2.5906823
|
|
2365 -2.9871562 -2.6374126 -2.6298328
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2365 -2.9871562 -2.6374126 -2.6298328
|
|
2366 -2.9871562 -2.6374126 -2.5768408
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2366 -2.9871562 -2.6374126 -2.5768408
|
|
2367 -2.9871562 -2.6374126 -2.6229615
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2367 -2.9871562 -2.6374126 -2.6229615
|
|
2368 -2.9871562 -2.6374126 -2.6368975
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.63689750933806
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2368 -2.9871562 -2.6368975 -2.6368975
|
|
2369 -2.9871562 -2.6368975 -2.6328671
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2369 -2.9871562 -2.6368975 -2.6328671
|
|
2370 -2.9871562 -2.6368975 -2.6303639
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2370 -2.9871562 -2.6368975 -2.6303639
|
|
2371 -2.9871562 -2.6368975 -2.5962033
|
|
Loop time of 7.70092e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2371 -2.9871562 -2.6368975 -2.5962033
|
|
2372 -2.9871562 -2.6368975 -2.6293175
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2372 -2.9871562 -2.6368975 -2.6293175
|
|
2373 -2.9871562 -2.6368975 -2.6209967
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2373 -2.9871562 -2.6368975 -2.6209967
|
|
2374 -2.9871562 -2.6368975 -2.6227484
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2374 -2.9871562 -2.6368975 -2.6227484
|
|
2375 -2.9871562 -2.6368975 -2.6205942
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2375 -2.9871562 -2.6368975 -2.6205942
|
|
2376 -2.9871562 -2.6368975 -2.6172359
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2376 -2.9871562 -2.6368975 -2.6172359
|
|
2377 -2.9871562 -2.6368975 -2.6091494
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2377 -2.9871562 -2.6368975 -2.6091494
|
|
2378 -2.9871562 -2.6368975 -2.6052812
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2378 -2.9871562 -2.6368975 -2.6052812
|
|
2379 -2.9871562 -2.6368975 -2.597507
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2379 -2.9871562 -2.6368975 -2.597507
|
|
2380 -2.9871562 -2.6368975 -2.6367734
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.63677337786975
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2380 -2.9871562 -2.6367734 -2.6367734
|
|
2381 -2.9871562 -2.6367734 -2.6385189
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.6385189483373
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2381 -2.9871562 -2.6385189 -2.6385189
|
|
2382 -2.9871562 -2.6385189 -2.6132087
|
|
Loop time of 9.29832e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2382 -2.9871562 -2.6385189 -2.6132087
|
|
2383 -2.9871562 -2.6385189 -2.6255373
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2383 -2.9871562 -2.6385189 -2.6255373
|
|
2384 -2.9871562 -2.6385189 -2.6399375
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.63993752872733
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2384 -2.9871562 -2.6399375 -2.6399375
|
|
2385 -2.9871562 -2.6399375 -2.6428696
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.64286957671364
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2385 -2.9871562 -2.6428696 -2.6428696
|
|
2386 -2.9871562 -2.6428696 -2.6038207
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2386 -2.9871562 -2.6428696 -2.6038207
|
|
2387 -2.9871562 -2.6428696 -2.6121951
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2387 -2.9871562 -2.6428696 -2.6121951
|
|
2388 -2.9871562 -2.6428696 -2.6450959
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.64509585007504
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2388 -2.9871562 -2.6450959 -2.6450959
|
|
2389 -2.9871562 -2.6450959 -2.6390445
|
|
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2389 -2.9871562 -2.6450959 -2.6390445
|
|
2390 -2.9871562 -2.6450959 -2.6418564
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2390 -2.9871562 -2.6450959 -2.6418564
|
|
2391 -2.9871562 -2.6450959 -2.5248188
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2391 -2.9871562 -2.6450959 -2.5248188
|
|
2392 -2.9871562 -2.6450959 -2.6440799
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.64407985324612
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2392 -2.9871562 -2.6440799 -2.6440799
|
|
2393 -2.9871562 -2.6440799 -2.6176041
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2393 -2.9871562 -2.6440799 -2.6176041
|
|
2394 -2.9871562 -2.6440799 -2.6412341
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2394 -2.9871562 -2.6440799 -2.6412341
|
|
2395 -2.9871562 -2.6440799 -2.6138708
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2395 -2.9871562 -2.6440799 -2.6138708
|
|
2396 -2.9871562 -2.6440799 -2.6093561
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2396 -2.9871562 -2.6440799 -2.6093561
|
|
2397 -2.9871562 -2.6440799 -2.6344301
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2397 -2.9871562 -2.6440799 -2.6344301
|
|
2398 -2.9871562 -2.6440799 -2.6440915
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.64409152572811
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2398 -2.9871562 -2.6440915 -2.6440915
|
|
2399 -2.9871562 -2.6440915 -2.6457
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.64570002952111
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2399 -2.9871562 -2.6457 -2.6457
|
|
2400 -2.9871562 -2.6457 -2.6132943
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2400 -2.9871562 -2.6457 -2.6132943
|
|
2401 -2.9871562 -2.6457 -2.6139214
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2401 -2.9871562 -2.6457 -2.6139214
|
|
2402 -2.9871562 -2.6457 -2.6156388
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2402 -2.9871562 -2.6457 -2.6156388
|
|
2403 -2.9871562 -2.6457 -2.6436504
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2403 -2.9871562 -2.6457 -2.6436504
|
|
2404 -2.9871562 -2.6457 -2.5444835
|
|
Loop time of 7.70092e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2404 -2.9871562 -2.6457 -2.5444835
|
|
2405 -2.9871562 -2.6457 -2.6391633
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2405 -2.9871562 -2.6457 -2.6391633
|
|
2406 -2.9871562 -2.6457 -2.5926113
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2406 -2.9871562 -2.6457 -2.5926113
|
|
2407 -2.9871562 -2.6457 -2.6333289
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2407 -2.9871562 -2.6457 -2.6333289
|
|
2408 -2.9871562 -2.6457 -2.6461087
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.64610871585035
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2408 -2.9871562 -2.6461087 -2.6461087
|
|
2409 -2.9871562 -2.6461087 -2.6455614
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2409 -2.9871562 -2.6461087 -2.6455614
|
|
2410 -2.9871562 -2.6461087 -2.6484253
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.64842529598231
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2410 -2.9871562 -2.6484253 -2.6484253
|
|
2411 -2.9871562 -2.6484253 -2.6372839
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2411 -2.9871562 -2.6484253 -2.6372839
|
|
2412 -2.9871562 -2.6484253 -2.6183605
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2412 -2.9871562 -2.6484253 -2.6183605
|
|
2413 -2.9871562 -2.6484253 -2.6211775
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2413 -2.9871562 -2.6484253 -2.6211775
|
|
2414 -2.9871562 -2.6484253 -2.6487386
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.64873858742017
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2414 -2.9871562 -2.6487386 -2.6487386
|
|
2415 -2.9871562 -2.6487386 -2.6392373
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2415 -2.9871562 -2.6487386 -2.6392373
|
|
2416 -2.9871562 -2.6487386 -2.6309318
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2416 -2.9871562 -2.6487386 -2.6309318
|
|
2417 -2.9871562 -2.6487386 -2.5744569
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2417 -2.9871562 -2.6487386 -2.5744569
|
|
2418 -2.9871562 -2.6487386 -2.6360459
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2418 -2.9871562 -2.6487386 -2.6360459
|
|
2419 -2.9871562 -2.6487386 -2.6436039
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2419 -2.9871562 -2.6487386 -2.6436039
|
|
2420 -2.9871562 -2.6487386 -2.64387
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2420 -2.9871562 -2.6487386 -2.64387
|
|
2421 -2.9871562 -2.6487386 -2.5969352
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2421 -2.9871562 -2.6487386 -2.5969352
|
|
2422 -2.9871562 -2.6487386 -2.5881376
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2422 -2.9871562 -2.6487386 -2.5881376
|
|
2423 -2.9871562 -2.6487386 -2.6497824
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.64978238135116
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2423 -2.9871562 -2.6497824 -2.6497824
|
|
2424 -2.9871562 -2.6497824 -2.5938196
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2424 -2.9871562 -2.6497824 -2.5938196
|
|
2425 -2.9871562 -2.6497824 -2.6368379
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2425 -2.9871562 -2.6497824 -2.6368379
|
|
2426 -2.9871562 -2.6497824 -2.6271935
|
|
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2426 -2.9871562 -2.6497824 -2.6271935
|
|
2427 -2.9871562 -2.6497824 -2.6326862
|
|
Loop time of 9.29832e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2427 -2.9871562 -2.6497824 -2.6326862
|
|
2428 -2.9871562 -2.6497824 -2.6382696
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2428 -2.9871562 -2.6497824 -2.6382696
|
|
2429 -2.9871562 -2.6497824 -2.6472573
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2429 -2.9871562 -2.6497824 -2.6472573
|
|
2430 -2.9871562 -2.6497824 -2.5700152
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2430 -2.9871562 -2.6497824 -2.5700152
|
|
2431 -2.9871562 -2.6497824 -2.6409298
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2431 -2.9871562 -2.6497824 -2.6409298
|
|
2432 -2.9871562 -2.6497824 -2.6449267
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2432 -2.9871562 -2.6497824 -2.6449267
|
|
2433 -2.9871562 -2.6497824 -2.6457019
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2433 -2.9871562 -2.6497824 -2.6457019
|
|
2434 -2.9871562 -2.6497824 -2.6480253
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2434 -2.9871562 -2.6497824 -2.6480253
|
|
2435 -2.9871562 -2.6497824 -2.6354685
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2435 -2.9871562 -2.6497824 -2.6354685
|
|
2436 -2.9871562 -2.6497824 -2.6368789
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2436 -2.9871562 -2.6497824 -2.6368789
|
|
2437 -2.9871562 -2.6497824 -2.6356427
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2437 -2.9871562 -2.6497824 -2.6356427
|
|
2438 -2.9871562 -2.6497824 -2.6487169
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2438 -2.9871562 -2.6497824 -2.6487169
|
|
2439 -2.9871562 -2.6497824 -2.6427386
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2439 -2.9871562 -2.6497824 -2.6427386
|
|
2440 -2.9871562 -2.6497824 -2.6372535
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2440 -2.9871562 -2.6497824 -2.6372535
|
|
2441 -2.9871562 -2.6497824 -2.6225383
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2441 -2.9871562 -2.6497824 -2.6225383
|
|
2442 -2.9871562 -2.6497824 -2.642517
|
|
Loop time of 8.39233e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2442 -2.9871562 -2.6497824 -2.642517
|
|
2443 -2.9871562 -2.6497824 -2.6164012
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2443 -2.9871562 -2.6497824 -2.6164012
|
|
2444 -2.9871562 -2.6497824 -2.6459907
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2444 -2.9871562 -2.6497824 -2.6459907
|
|
2445 -2.9871562 -2.6497824 -2.6001243
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2445 -2.9871562 -2.6497824 -2.6001243
|
|
2446 -2.9871562 -2.6497824 -2.6439669
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2446 -2.9871562 -2.6497824 -2.6439669
|
|
2447 -2.9871562 -2.6497824 -2.6088611
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2447 -2.9871562 -2.6497824 -2.6088611
|
|
2448 -2.9871562 -2.6497824 -2.6110299
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2448 -2.9871562 -2.6497824 -2.6110299
|
|
2449 -2.9871562 -2.6497824 -2.6249346
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2449 -2.9871562 -2.6497824 -2.6249346
|
|
2450 -2.9871562 -2.6497824 -2.6375915
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2450 -2.9871562 -2.6497824 -2.6375915
|
|
2451 -2.9871562 -2.6497824 -2.6302758
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2451 -2.9871562 -2.6497824 -2.6302758
|
|
2452 -2.9871562 -2.6497824 -2.6388601
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2452 -2.9871562 -2.6497824 -2.6388601
|
|
2453 -2.9871562 -2.6497824 -2.6321543
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2453 -2.9871562 -2.6497824 -2.6321543
|
|
2454 -2.9871562 -2.6497824 -2.6259796
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2454 -2.9871562 -2.6497824 -2.6259796
|
|
2455 -2.9871562 -2.6497824 -2.6316022
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2455 -2.9871562 -2.6497824 -2.6316022
|
|
2456 -2.9871562 -2.6497824 -2.6351825
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2456 -2.9871562 -2.6497824 -2.6351825
|
|
2457 -2.9871562 -2.6497824 -2.6474896
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2457 -2.9871562 -2.6497824 -2.6474896
|
|
2458 -2.9871562 -2.6497824 -2.6242844
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2458 -2.9871562 -2.6497824 -2.6242844
|
|
2459 -2.9871562 -2.6497824 -2.6456151
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2459 -2.9871562 -2.6497824 -2.6456151
|
|
2460 -2.9871562 -2.6497824 -2.6316876
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2460 -2.9871562 -2.6497824 -2.6316876
|
|
2461 -2.9871562 -2.6497824 -2.6390559
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2461 -2.9871562 -2.6497824 -2.6390559
|
|
2462 -2.9871562 -2.6497824 -2.6215569
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2462 -2.9871562 -2.6497824 -2.6215569
|
|
2463 -2.9871562 -2.6497824 -2.6303072
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2463 -2.9871562 -2.6497824 -2.6303072
|
|
2464 -2.9871562 -2.6497824 -2.650069
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.65006902227075
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2464 -2.9871562 -2.650069 -2.650069
|
|
2465 -2.9871562 -2.650069 -2.6497436
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.64974364708848
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2465 -2.9871562 -2.6497436 -2.6497436
|
|
2466 -2.9871562 -2.6497436 -2.6358063
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2466 -2.9871562 -2.6497436 -2.6358063
|
|
2467 -2.9871562 -2.6497436 -2.6341835
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2467 -2.9871562 -2.6497436 -2.6341835
|
|
2468 -2.9871562 -2.6497436 -2.6493543
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2468 -2.9871562 -2.6497436 -2.6493543
|
|
2469 -2.9871562 -2.6497436 -2.6258693
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2469 -2.9871562 -2.6497436 -2.6258693
|
|
2470 -2.9871562 -2.6497436 -2.6245326
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2470 -2.9871562 -2.6497436 -2.6245326
|
|
2471 -2.9871562 -2.6497436 -2.6346165
|
|
Loop time of 9.67979e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2471 -2.9871562 -2.6497436 -2.6346165
|
|
2472 -2.9871562 -2.6497436 -2.6438249
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2472 -2.9871562 -2.6497436 -2.6438249
|
|
2473 -2.9871562 -2.6497436 -2.647202
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2473 -2.9871562 -2.6497436 -2.647202
|
|
2474 -2.9871562 -2.6497436 -2.6474734
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2474 -2.9871562 -2.6497436 -2.6474734
|
|
2475 -2.9871562 -2.6497436 -2.6342902
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2475 -2.9871562 -2.6497436 -2.6342902
|
|
2476 -2.9871562 -2.6497436 -2.6252365
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2476 -2.9871562 -2.6497436 -2.6252365
|
|
2477 -2.9871562 -2.6497436 -2.6356011
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2477 -2.9871562 -2.6497436 -2.6356011
|
|
2478 -2.9871562 -2.6497436 -2.6396975
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2478 -2.9871562 -2.6497436 -2.6396975
|
|
2479 -2.9871562 -2.6497436 -2.6400959
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2479 -2.9871562 -2.6497436 -2.6400959
|
|
2480 -2.9871562 -2.6497436 -2.6366745
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2480 -2.9871562 -2.6497436 -2.6366745
|
|
2481 -2.9871562 -2.6497436 -2.6037318
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2481 -2.9871562 -2.6497436 -2.6037318
|
|
2482 -2.9871562 -2.6497436 -2.5945151
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2482 -2.9871562 -2.6497436 -2.5945151
|
|
2483 -2.9871562 -2.6497436 -2.6468467
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2483 -2.9871562 -2.6497436 -2.6468467
|
|
2484 -2.9871562 -2.6497436 -2.5872497
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2484 -2.9871562 -2.6497436 -2.5872497
|
|
2485 -2.9871562 -2.6497436 -2.6464374
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2485 -2.9871562 -2.6497436 -2.6464374
|
|
2486 -2.9871562 -2.6497436 -2.6455461
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2486 -2.9871562 -2.6497436 -2.6455461
|
|
2487 -2.9871562 -2.6497436 -2.6450005
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2487 -2.9871562 -2.6497436 -2.6450005
|
|
2488 -2.9871562 -2.6497436 -2.6334488
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2488 -2.9871562 -2.6497436 -2.6334488
|
|
2489 -2.9871562 -2.6497436 -2.545342
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2489 -2.9871562 -2.6497436 -2.545342
|
|
2490 -2.9871562 -2.6497436 -2.6191627
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2490 -2.9871562 -2.6497436 -2.6191627
|
|
2491 -2.9871562 -2.6497436 -2.628909
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2491 -2.9871562 -2.6497436 -2.628909
|
|
2492 -2.9871562 -2.6497436 -2.6116072
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2492 -2.9871562 -2.6497436 -2.6116072
|
|
2493 -2.9871562 -2.6497436 -2.6174013
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2493 -2.9871562 -2.6497436 -2.6174013
|
|
2494 -2.9871562 -2.6497436 -2.6387308
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2494 -2.9871562 -2.6497436 -2.6387308
|
|
2495 -2.9871562 -2.6497436 -2.6347682
|
|
Loop time of 4.29153e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2495 -2.9871562 -2.6497436 -2.6347682
|
|
2496 -2.9871562 -2.6497436 -2.6480496
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.6480495678412
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2496 -2.9871562 -2.6480496 -2.6480496
|
|
2497 -2.9871562 -2.6480496 -2.6447475
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2497 -2.9871562 -2.6480496 -2.6447475
|
|
2498 -2.9871562 -2.6480496 -2.6463254
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2498 -2.9871562 -2.6480496 -2.6463254
|
|
2499 -2.9871562 -2.6480496 -2.6353676
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2499 -2.9871562 -2.6480496 -2.6353676
|
|
2500 -2.9871562 -2.6480496 -2.6146121
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2500 -2.9871562 -2.6480496 -2.6146121
|
|
2501 -2.9871562 -2.6480496 -2.6170685
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2501 -2.9871562 -2.6480496 -2.6170685
|
|
2502 -2.9871562 -2.6480496 -2.6340621
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2502 -2.9871562 -2.6480496 -2.6340621
|
|
2503 -2.9871562 -2.6480496 -2.6209463
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2503 -2.9871562 -2.6480496 -2.6209463
|
|
2504 -2.9871562 -2.6480496 -2.6033441
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2504 -2.9871562 -2.6480496 -2.6033441
|
|
2505 -2.9871562 -2.6480496 -2.6316456
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2505 -2.9871562 -2.6480496 -2.6316456
|
|
2506 -2.9871562 -2.6480496 -2.5790709
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2506 -2.9871562 -2.6480496 -2.5790709
|
|
2507 -2.9871562 -2.6480496 -2.6361681
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2507 -2.9871562 -2.6480496 -2.6361681
|
|
2508 -2.9871562 -2.6480496 -2.6303902
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2508 -2.9871562 -2.6480496 -2.6303902
|
|
2509 -2.9871562 -2.6480496 -2.6440043
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2509 -2.9871562 -2.6480496 -2.6440043
|
|
2510 -2.9871562 -2.6480496 -2.6002639
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2510 -2.9871562 -2.6480496 -2.6002639
|
|
2511 -2.9871562 -2.6480496 -2.6182908
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2511 -2.9871562 -2.6480496 -2.6182908
|
|
2512 -2.9871562 -2.6480496 -2.6342485
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2512 -2.9871562 -2.6480496 -2.6342485
|
|
2513 -2.9871562 -2.6480496 -2.6326828
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2513 -2.9871562 -2.6480496 -2.6326828
|
|
2514 -2.9871562 -2.6480496 -2.6459827
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2514 -2.9871562 -2.6480496 -2.6459827
|
|
2515 -2.9871562 -2.6480496 -2.6402387
|
|
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2515 -2.9871562 -2.6480496 -2.6402387
|
|
2516 -2.9871562 -2.6480496 -2.6382877
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2516 -2.9871562 -2.6480496 -2.6382877
|
|
2517 -2.9871562 -2.6480496 -2.6350765
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2517 -2.9871562 -2.6480496 -2.6350765
|
|
2518 -2.9871562 -2.6480496 -2.6328983
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2518 -2.9871562 -2.6480496 -2.6328983
|
|
2519 -2.9871562 -2.6480496 -2.5750651
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2519 -2.9871562 -2.6480496 -2.5750651
|
|
2520 -2.9871562 -2.6480496 -2.5958263
|
|
Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2520 -2.9871562 -2.6480496 -2.5958263
|
|
2521 -2.9871562 -2.6480496 -2.62584
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2521 -2.9871562 -2.6480496 -2.62584
|
|
2522 -2.9871562 -2.6480496 -2.6327875
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2522 -2.9871562 -2.6480496 -2.6327875
|
|
2523 -2.9871562 -2.6480496 -2.6359204
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2523 -2.9871562 -2.6480496 -2.6359204
|
|
2524 -2.9871562 -2.6480496 -2.64716
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2524 -2.9871562 -2.6480496 -2.64716
|
|
2525 -2.9871562 -2.6480496 -2.6192336
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2525 -2.9871562 -2.6480496 -2.6192336
|
|
2526 -2.9871562 -2.6480496 -2.628982
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2526 -2.9871562 -2.6480496 -2.628982
|
|
2527 -2.9871562 -2.6480496 -2.6145182
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2527 -2.9871562 -2.6480496 -2.6145182
|
|
2528 -2.9871562 -2.6480496 -2.6308708
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2528 -2.9871562 -2.6480496 -2.6308708
|
|
2529 -2.9871562 -2.6480496 -2.6320325
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2529 -2.9871562 -2.6480496 -2.6320325
|
|
2530 -2.9871562 -2.6480496 -2.6332537
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2530 -2.9871562 -2.6480496 -2.6332537
|
|
2531 -2.9871562 -2.6480496 -2.6385568
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2531 -2.9871562 -2.6480496 -2.6385568
|
|
2532 -2.9871562 -2.6480496 -2.6148691
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2532 -2.9871562 -2.6480496 -2.6148691
|
|
2533 -2.9871562 -2.6480496 -2.626269
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2533 -2.9871562 -2.6480496 -2.626269
|
|
2534 -2.9871562 -2.6480496 -2.6274812
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2534 -2.9871562 -2.6480496 -2.6274812
|
|
2535 -2.9871562 -2.6480496 -2.6291211
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2535 -2.9871562 -2.6480496 -2.6291211
|
|
2536 -2.9871562 -2.6480496 -2.6386284
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2536 -2.9871562 -2.6480496 -2.6386284
|
|
2537 -2.9871562 -2.6480496 -2.5906238
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2537 -2.9871562 -2.6480496 -2.5906238
|
|
2538 -2.9871562 -2.6480496 -2.6384699
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2538 -2.9871562 -2.6480496 -2.6384699
|
|
2539 -2.9871562 -2.6480496 -2.6265096
|
|
Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2539 -2.9871562 -2.6480496 -2.6265096
|
|
2540 -2.9871562 -2.6480496 -2.6530641
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.65306411246073
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2540 -2.9871562 -2.6530641 -2.6530641
|
|
2541 -2.9871562 -2.6530641 -2.6475534
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2541 -2.9871562 -2.6530641 -2.6475534
|
|
2542 -2.9871562 -2.6530641 -2.6532352
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.65323516422202
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2542 -2.9871562 -2.6532352 -2.6532352
|
|
2543 -2.9871562 -2.6532352 -2.6214944
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2543 -2.9871562 -2.6532352 -2.6214944
|
|
2544 -2.9871562 -2.6532352 -2.6520152
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2544 -2.9871562 -2.6532352 -2.6520152
|
|
2545 -2.9871562 -2.6532352 -2.6375132
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2545 -2.9871562 -2.6532352 -2.6375132
|
|
2546 -2.9871562 -2.6532352 -2.6314368
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2546 -2.9871562 -2.6532352 -2.6314368
|
|
2547 -2.9871562 -2.6532352 -2.6298303
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2547 -2.9871562 -2.6532352 -2.6298303
|
|
2548 -2.9871562 -2.6532352 -2.6407514
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2548 -2.9871562 -2.6532352 -2.6407514
|
|
2549 -2.9871562 -2.6532352 -2.638407
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2549 -2.9871562 -2.6532352 -2.638407
|
|
2550 -2.9871562 -2.6532352 -2.625669
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2550 -2.9871562 -2.6532352 -2.625669
|
|
2551 -2.9871562 -2.6532352 -2.6419
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2551 -2.9871562 -2.6532352 -2.6419
|
|
2552 -2.9871562 -2.6532352 -2.6561438
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.65614380533582
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2552 -2.9871562 -2.6561438 -2.6561438
|
|
2553 -2.9871562 -2.6561438 -2.6438658
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2553 -2.9871562 -2.6561438 -2.6438658
|
|
2554 -2.9871562 -2.6561438 -2.6529723
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2554 -2.9871562 -2.6561438 -2.6529723
|
|
2555 -2.9871562 -2.6561438 -2.6447734
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2555 -2.9871562 -2.6561438 -2.6447734
|
|
2556 -2.9871562 -2.6561438 -2.6488449
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2556 -2.9871562 -2.6561438 -2.6488449
|
|
2557 -2.9871562 -2.6561438 -2.5844967
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2557 -2.9871562 -2.6561438 -2.5844967
|
|
2558 -2.9871562 -2.6561438 -2.6445589
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2558 -2.9871562 -2.6561438 -2.6445589
|
|
2559 -2.9871562 -2.6561438 -2.6453905
|
|
Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2559 -2.9871562 -2.6561438 -2.6453905
|
|
2560 -2.9871562 -2.6561438 -2.62389
|
|
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2560 -2.9871562 -2.6561438 -2.62389
|
|
2561 -2.9871562 -2.6561438 -2.6419979
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2561 -2.9871562 -2.6561438 -2.6419979
|
|
2562 -2.9871562 -2.6561438 -2.5821976
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2562 -2.9871562 -2.6561438 -2.5821976
|
|
2563 -2.9871562 -2.6561438 -2.6291882
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2563 -2.9871562 -2.6561438 -2.6291882
|
|
2564 -2.9871562 -2.6561438 -2.6220521
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2564 -2.9871562 -2.6561438 -2.6220521
|
|
2565 -2.9871562 -2.6561438 -2.6256423
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2565 -2.9871562 -2.6561438 -2.6256423
|
|
2566 -2.9871562 -2.6561438 -2.664306
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.66430595532244
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2566 -2.9871562 -2.664306 -2.664306
|
|
2567 -2.9871562 -2.664306 -2.6218274
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2567 -2.9871562 -2.664306 -2.6218274
|
|
2568 -2.9871562 -2.664306 -2.6701041
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.67010410390943
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2568 -2.9871562 -2.6701041 -2.6701041
|
|
2569 -2.9871562 -2.6701041 -2.6615388
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2569 -2.9871562 -2.6701041 -2.6615388
|
|
2570 -2.9871562 -2.6701041 -2.6508953
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2570 -2.9871562 -2.6701041 -2.6508953
|
|
2571 -2.9871562 -2.6701041 -2.6543121
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2571 -2.9871562 -2.6701041 -2.6543121
|
|
2572 -2.9871562 -2.6701041 -2.6506287
|
|
Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2572 -2.9871562 -2.6701041 -2.6506287
|
|
2573 -2.9871562 -2.6701041 -2.6654967
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2573 -2.9871562 -2.6701041 -2.6654967
|
|
2574 -2.9871562 -2.6701041 -2.6354104
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2574 -2.9871562 -2.6701041 -2.6354104
|
|
2575 -2.9871562 -2.6701041 -2.6599601
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2575 -2.9871562 -2.6701041 -2.6599601
|
|
2576 -2.9871562 -2.6701041 -2.6422416
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2576 -2.9871562 -2.6701041 -2.6422416
|
|
2577 -2.9871562 -2.6701041 -2.6509941
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2577 -2.9871562 -2.6701041 -2.6509941
|
|
2578 -2.9871562 -2.6701041 -2.6541974
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2578 -2.9871562 -2.6701041 -2.6541974
|
|
2579 -2.9871562 -2.6701041 -2.6500591
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2579 -2.9871562 -2.6701041 -2.6500591
|
|
2580 -2.9871562 -2.6701041 -2.6642582
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2580 -2.9871562 -2.6701041 -2.6642582
|
|
2581 -2.9871562 -2.6701041 -2.6213773
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2581 -2.9871562 -2.6701041 -2.6213773
|
|
2582 -2.9871562 -2.6701041 -2.6020337
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2582 -2.9871562 -2.6701041 -2.6020337
|
|
2583 -2.9871562 -2.6701041 -2.6641177
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2583 -2.9871562 -2.6701041 -2.6641177
|
|
2584 -2.9871562 -2.6701041 -2.6474718
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2584 -2.9871562 -2.6701041 -2.6474718
|
|
2585 -2.9871562 -2.6701041 -2.6531565
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2585 -2.9871562 -2.6701041 -2.6531565
|
|
2586 -2.9871562 -2.6701041 -2.6708817
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.67088166164949
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2586 -2.9871562 -2.6708817 -2.6708817
|
|
2587 -2.9871562 -2.6708817 -2.6486311
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2587 -2.9871562 -2.6708817 -2.6486311
|
|
2588 -2.9871562 -2.6708817 -2.6337228
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2588 -2.9871562 -2.6708817 -2.6337228
|
|
2589 -2.9871562 -2.6708817 -2.6492805
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2589 -2.9871562 -2.6708817 -2.6492805
|
|
2590 -2.9871562 -2.6708817 -2.650508
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2590 -2.9871562 -2.6708817 -2.650508
|
|
2591 -2.9871562 -2.6708817 -2.6518164
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2591 -2.9871562 -2.6708817 -2.6518164
|
|
2592 -2.9871562 -2.6708817 -2.6664713
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2592 -2.9871562 -2.6708817 -2.6664713
|
|
2593 -2.9871562 -2.6708817 -2.6478526
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2593 -2.9871562 -2.6708817 -2.6478526
|
|
2594 -2.9871562 -2.6708817 -2.6627866
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2594 -2.9871562 -2.6708817 -2.6627866
|
|
2595 -2.9871562 -2.6708817 -2.6302002
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2595 -2.9871562 -2.6708817 -2.6302002
|
|
2596 -2.9871562 -2.6708817 -2.6508699
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2596 -2.9871562 -2.6708817 -2.6508699
|
|
2597 -2.9871562 -2.6708817 -2.6632911
|
|
Loop time of 4.50611e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2597 -2.9871562 -2.6708817 -2.6632911
|
|
2598 -2.9871562 -2.6708817 -2.6445799
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2598 -2.9871562 -2.6708817 -2.6445799
|
|
2599 -2.9871562 -2.6708817 -2.6127728
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2599 -2.9871562 -2.6708817 -2.6127728
|
|
2600 -2.9871562 -2.6708817 -2.6412385
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2600 -2.9871562 -2.6708817 -2.6412385
|
|
2601 -2.9871562 -2.6708817 -2.6327174
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2601 -2.9871562 -2.6708817 -2.6327174
|
|
2602 -2.9871562 -2.6708817 -2.6441956
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2602 -2.9871562 -2.6708817 -2.6441956
|
|
2603 -2.9871562 -2.6708817 -2.6599584
|
|
Loop time of 0.0186522 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2603 -2.9871562 -2.6708817 -2.6599584
|
|
2604 -2.9871562 -2.6708817 -2.6509272
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2604 -2.9871562 -2.6708817 -2.6509272
|
|
2605 -2.9871562 -2.6708817 -2.6473037
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2605 -2.9871562 -2.6708817 -2.6473037
|
|
2606 -2.9871562 -2.6708817 -2.6484736
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2606 -2.9871562 -2.6708817 -2.6484736
|
|
2607 -2.9871562 -2.6708817 -2.6639592
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2607 -2.9871562 -2.6708817 -2.6639592
|
|
2608 -2.9871562 -2.6708817 -2.6296946
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2608 -2.9871562 -2.6708817 -2.6296946
|
|
2609 -2.9871562 -2.6708817 -2.6584456
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2609 -2.9871562 -2.6708817 -2.6584456
|
|
2610 -2.9871562 -2.6708817 -2.6518595
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2610 -2.9871562 -2.6708817 -2.6518595
|
|
2611 -2.9871562 -2.6708817 -2.6693509
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2611 -2.9871562 -2.6708817 -2.6693509
|
|
2612 -2.9871562 -2.6708817 -2.6448536
|
|
Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2612 -2.9871562 -2.6708817 -2.6448536
|
|
2613 -2.9871562 -2.6708817 -2.6589193
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2613 -2.9871562 -2.6708817 -2.6589193
|
|
2614 -2.9871562 -2.6708817 -2.6650808
|
|
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2614 -2.9871562 -2.6708817 -2.6650808
|
|
2615 -2.9871562 -2.6708817 -2.6549858
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2615 -2.9871562 -2.6708817 -2.6549858
|
|
2616 -2.9871562 -2.6708817 -2.654658
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2616 -2.9871562 -2.6708817 -2.654658
|
|
2617 -2.9871562 -2.6708817 -2.6062873
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2617 -2.9871562 -2.6708817 -2.6062873
|
|
2618 -2.9871562 -2.6708817 -2.6488268
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2618 -2.9871562 -2.6708817 -2.6488268
|
|
2619 -2.9871562 -2.6708817 -2.6591682
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2619 -2.9871562 -2.6708817 -2.6591682
|
|
2620 -2.9871562 -2.6708817 -2.651787
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2620 -2.9871562 -2.6708817 -2.651787
|
|
2621 -2.9871562 -2.6708817 -2.6698256
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2621 -2.9871562 -2.6708817 -2.6698256
|
|
2622 -2.9871562 -2.6708817 -2.6154025
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2622 -2.9871562 -2.6708817 -2.6154025
|
|
2623 -2.9871562 -2.6708817 -2.6581056
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2623 -2.9871562 -2.6708817 -2.6581056
|
|
2624 -2.9871562 -2.6708817 -2.6629025
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2624 -2.9871562 -2.6708817 -2.6629025
|
|
2625 -2.9871562 -2.6708817 -2.6545053
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2625 -2.9871562 -2.6708817 -2.6545053
|
|
2626 -2.9871562 -2.6708817 -2.6632108
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2626 -2.9871562 -2.6708817 -2.6632108
|
|
2627 -2.9871562 -2.6708817 -2.6656053
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2627 -2.9871562 -2.6708817 -2.6656053
|
|
2628 -2.9871562 -2.6708817 -2.6703954
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2628 -2.9871562 -2.6708817 -2.6703954
|
|
2629 -2.9871562 -2.6708817 -2.6838898
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.68388982267568
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2629 -2.9871562 -2.6838898 -2.6838898
|
|
2630 -2.9871562 -2.6838898 -2.6749575
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2630 -2.9871562 -2.6838898 -2.6749575
|
|
2631 -2.9871562 -2.6838898 -2.626065
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2631 -2.9871562 -2.6838898 -2.626065
|
|
2632 -2.9871562 -2.6838898 -2.6562087
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2632 -2.9871562 -2.6838898 -2.6562087
|
|
2633 -2.9871562 -2.6838898 -2.6806693
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2633 -2.9871562 -2.6838898 -2.6806693
|
|
2634 -2.9871562 -2.6838898 -2.6574528
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2634 -2.9871562 -2.6838898 -2.6574528
|
|
2635 -2.9871562 -2.6838898 -2.6615559
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2635 -2.9871562 -2.6838898 -2.6615559
|
|
2636 -2.9871562 -2.6838898 -2.6581399
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2636 -2.9871562 -2.6838898 -2.6581399
|
|
2637 -2.9871562 -2.6838898 -2.6774841
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2637 -2.9871562 -2.6838898 -2.6774841
|
|
2638 -2.9871562 -2.6838898 -2.6808889
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2638 -2.9871562 -2.6838898 -2.6808889
|
|
2639 -2.9871562 -2.6838898 -2.6782775
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2639 -2.9871562 -2.6838898 -2.6782775
|
|
2640 -2.9871562 -2.6838898 -2.6682538
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2640 -2.9871562 -2.6838898 -2.6682538
|
|
2641 -2.9871562 -2.6838898 -2.6702902
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2641 -2.9871562 -2.6838898 -2.6702902
|
|
2642 -2.9871562 -2.6838898 -2.6675395
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2642 -2.9871562 -2.6838898 -2.6675395
|
|
2643 -2.9871562 -2.6838898 -2.6757761
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2643 -2.9871562 -2.6838898 -2.6757761
|
|
2644 -2.9871562 -2.6838898 -2.6597895
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2644 -2.9871562 -2.6838898 -2.6597895
|
|
2645 -2.9871562 -2.6838898 -2.6762798
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2645 -2.9871562 -2.6838898 -2.6762798
|
|
2646 -2.9871562 -2.6838898 -2.6519886
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2646 -2.9871562 -2.6838898 -2.6519886
|
|
2647 -2.9871562 -2.6838898 -2.6761595
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2647 -2.9871562 -2.6838898 -2.6761595
|
|
2648 -2.9871562 -2.6838898 -2.6610658
|
|
Loop time of 0.0185931 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2648 -2.9871562 -2.6838898 -2.6610658
|
|
2649 -2.9871562 -2.6838898 -2.6754892
|
|
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2649 -2.9871562 -2.6838898 -2.6754892
|
|
2650 -2.9871562 -2.6838898 -2.6710377
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2650 -2.9871562 -2.6838898 -2.6710377
|
|
2651 -2.9871562 -2.6838898 -2.6702866
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2651 -2.9871562 -2.6838898 -2.6702866
|
|
2652 -2.9871562 -2.6838898 -2.6762468
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2652 -2.9871562 -2.6838898 -2.6762468
|
|
2653 -2.9871562 -2.6838898 -2.6579032
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2653 -2.9871562 -2.6838898 -2.6579032
|
|
2654 -2.9871562 -2.6838898 -2.6672171
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2654 -2.9871562 -2.6838898 -2.6672171
|
|
2655 -2.9871562 -2.6838898 -2.6422791
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2655 -2.9871562 -2.6838898 -2.6422791
|
|
2656 -2.9871562 -2.6838898 -2.6870066
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.68700656279514
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2656 -2.9871562 -2.6870066 -2.6870066
|
|
2657 -2.9871562 -2.6870066 -2.6885831
|
|
Loop time of 4.3869e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.6885830927697
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2657 -2.9871562 -2.6885831 -2.6885831
|
|
2658 -2.9871562 -2.6885831 -2.6870693
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2658 -2.9871562 -2.6885831 -2.6870693
|
|
2659 -2.9871562 -2.6885831 -2.6794613
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2659 -2.9871562 -2.6885831 -2.6794613
|
|
2660 -2.9871562 -2.6885831 -2.6837757
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2660 -2.9871562 -2.6885831 -2.6837757
|
|
2661 -2.9871562 -2.6885831 -2.6665699
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2661 -2.9871562 -2.6885831 -2.6665699
|
|
2662 -2.9871562 -2.6885831 -2.6637293
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2662 -2.9871562 -2.6885831 -2.6637293
|
|
2663 -2.9871562 -2.6885831 -2.6667928
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2663 -2.9871562 -2.6885831 -2.6667928
|
|
2664 -2.9871562 -2.6885831 -2.6588481
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2664 -2.9871562 -2.6885831 -2.6588481
|
|
2665 -2.9871562 -2.6885831 -2.6708391
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2665 -2.9871562 -2.6885831 -2.6708391
|
|
2666 -2.9871562 -2.6885831 -2.6897515
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.68975148240435
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2666 -2.9871562 -2.6897515 -2.6897515
|
|
2667 -2.9871562 -2.6897515 -2.6885136
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2667 -2.9871562 -2.6897515 -2.6885136
|
|
2668 -2.9871562 -2.6897515 -2.666005
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2668 -2.9871562 -2.6897515 -2.666005
|
|
2669 -2.9871562 -2.6897515 -2.6609044
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2669 -2.9871562 -2.6897515 -2.6609044
|
|
2670 -2.9871562 -2.6897515 -2.6838911
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2670 -2.9871562 -2.6897515 -2.6838911
|
|
2671 -2.9871562 -2.6897515 -2.6947116
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.69471161301724
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2671 -2.9871562 -2.6947116 -2.6947116
|
|
2672 -2.9871562 -2.6947116 -2.6627007
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2672 -2.9871562 -2.6947116 -2.6627007
|
|
2673 -2.9871562 -2.6947116 -2.6745476
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2673 -2.9871562 -2.6947116 -2.6745476
|
|
2674 -2.9871562 -2.6947116 -2.6870648
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2674 -2.9871562 -2.6947116 -2.6870648
|
|
2675 -2.9871562 -2.6947116 -2.690185
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2675 -2.9871562 -2.6947116 -2.690185
|
|
2676 -2.9871562 -2.6947116 -2.6380208
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2676 -2.9871562 -2.6947116 -2.6380208
|
|
2677 -2.9871562 -2.6947116 -2.6634528
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2677 -2.9871562 -2.6947116 -2.6634528
|
|
2678 -2.9871562 -2.6947116 -2.6616753
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2678 -2.9871562 -2.6947116 -2.6616753
|
|
2679 -2.9871562 -2.6947116 -2.6930133
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2679 -2.9871562 -2.6947116 -2.6930133
|
|
2680 -2.9871562 -2.6947116 -2.6553005
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2680 -2.9871562 -2.6947116 -2.6553005
|
|
2681 -2.9871562 -2.6947116 -2.6667315
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2681 -2.9871562 -2.6947116 -2.6667315
|
|
2682 -2.9871562 -2.6947116 -2.6907553
|
|
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2682 -2.9871562 -2.6947116 -2.6907553
|
|
2683 -2.9871562 -2.6947116 -2.6549568
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2683 -2.9871562 -2.6947116 -2.6549568
|
|
2684 -2.9871562 -2.6947116 -2.6751728
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2684 -2.9871562 -2.6947116 -2.6751728
|
|
2685 -2.9871562 -2.6947116 -2.6948257
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.69482566464767
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2685 -2.9871562 -2.6948257 -2.6948257
|
|
2686 -2.9871562 -2.6948257 -2.6638053
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2686 -2.9871562 -2.6948257 -2.6638053
|
|
2687 -2.9871562 -2.6948257 -2.6944582
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2687 -2.9871562 -2.6948257 -2.6944582
|
|
2688 -2.9871562 -2.6948257 -2.6732535
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2688 -2.9871562 -2.6948257 -2.6732535
|
|
2689 -2.9871562 -2.6948257 -2.6930039
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2689 -2.9871562 -2.6948257 -2.6930039
|
|
2690 -2.9871562 -2.6948257 -2.6445517
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2690 -2.9871562 -2.6948257 -2.6445517
|
|
2691 -2.9871562 -2.6948257 -2.6881854
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2691 -2.9871562 -2.6948257 -2.6881854
|
|
2692 -2.9871562 -2.6948257 -2.6830627
|
|
Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2692 -2.9871562 -2.6948257 -2.6830627
|
|
2693 -2.9871562 -2.6948257 -2.682135
|
|
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2693 -2.9871562 -2.6948257 -2.682135
|
|
2694 -2.9871562 -2.6948257 -2.6846456
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2694 -2.9871562 -2.6948257 -2.6846456
|
|
2695 -2.9871562 -2.6948257 -2.6885938
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2695 -2.9871562 -2.6948257 -2.6885938
|
|
2696 -2.9871562 -2.6948257 -2.6541723
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2696 -2.9871562 -2.6948257 -2.6541723
|
|
2697 -2.9871562 -2.6948257 -2.6836909
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2697 -2.9871562 -2.6948257 -2.6836909
|
|
2698 -2.9871562 -2.6948257 -2.6808022
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2698 -2.9871562 -2.6948257 -2.6808022
|
|
2699 -2.9871562 -2.6948257 -2.6645333
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2699 -2.9871562 -2.6948257 -2.6645333
|
|
2700 -2.9871562 -2.6948257 -2.663908
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2700 -2.9871562 -2.6948257 -2.663908
|
|
2701 -2.9871562 -2.6948257 -2.6658003
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2701 -2.9871562 -2.6948257 -2.6658003
|
|
2702 -2.9871562 -2.6948257 -2.6691576
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2702 -2.9871562 -2.6948257 -2.6691576
|
|
2703 -2.9871562 -2.6948257 -2.6948936
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.69489362850161
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2703 -2.9871562 -2.6948936 -2.6948936
|
|
2704 -2.9871562 -2.6948936 -2.6878044
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2704 -2.9871562 -2.6948936 -2.6878044
|
|
2705 -2.9871562 -2.6948936 -2.6709432
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2705 -2.9871562 -2.6948936 -2.6709432
|
|
2706 -2.9871562 -2.6948936 -2.6943476
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.69434758395834
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2706 -2.9871562 -2.6943476 -2.6943476
|
|
2707 -2.9871562 -2.6943476 -2.6898882
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2707 -2.9871562 -2.6943476 -2.6898882
|
|
2708 -2.9871562 -2.6943476 -2.6948012
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.69480118229845
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2708 -2.9871562 -2.6948012 -2.6948012
|
|
2709 -2.9871562 -2.6948012 -2.6849783
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2709 -2.9871562 -2.6948012 -2.6849783
|
|
2710 -2.9871562 -2.6948012 -2.6936052
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2710 -2.9871562 -2.6948012 -2.6936052
|
|
2711 -2.9871562 -2.6948012 -2.6949119
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.69491187919818
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2711 -2.9871562 -2.6949119 -2.6949119
|
|
2712 -2.9871562 -2.6949119 -2.678847
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2712 -2.9871562 -2.6949119 -2.678847
|
|
2713 -2.9871562 -2.6949119 -2.6895535
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2713 -2.9871562 -2.6949119 -2.6895535
|
|
2714 -2.9871562 -2.6949119 -2.6944869
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2714 -2.9871562 -2.6949119 -2.6944869
|
|
2715 -2.9871562 -2.6949119 -2.6905298
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2715 -2.9871562 -2.6949119 -2.6905298
|
|
2716 -2.9871562 -2.6949119 -2.6799376
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2716 -2.9871562 -2.6949119 -2.6799376
|
|
2717 -2.9871562 -2.6949119 -2.6708045
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2717 -2.9871562 -2.6949119 -2.6708045
|
|
2718 -2.9871562 -2.6949119 -2.6916626
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2718 -2.9871562 -2.6949119 -2.6916626
|
|
2719 -2.9871562 -2.6949119 -2.6945487
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2719 -2.9871562 -2.6949119 -2.6945487
|
|
2720 -2.9871562 -2.6949119 -2.6921003
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2720 -2.9871562 -2.6949119 -2.6921003
|
|
2721 -2.9871562 -2.6949119 -2.6714954
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2721 -2.9871562 -2.6949119 -2.6714954
|
|
2722 -2.9871562 -2.6949119 -2.6625953
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2722 -2.9871562 -2.6949119 -2.6625953
|
|
2723 -2.9871562 -2.6949119 -2.6671438
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2723 -2.9871562 -2.6949119 -2.6671438
|
|
2724 -2.9871562 -2.6949119 -2.6852047
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2724 -2.9871562 -2.6949119 -2.6852047
|
|
2725 -2.9871562 -2.6949119 -2.6870979
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2725 -2.9871562 -2.6949119 -2.6870979
|
|
2726 -2.9871562 -2.6949119 -2.6591971
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2726 -2.9871562 -2.6949119 -2.6591971
|
|
2727 -2.9871562 -2.6949119 -2.6807982
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2727 -2.9871562 -2.6949119 -2.6807982
|
|
2728 -2.9871562 -2.6949119 -2.6686299
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2728 -2.9871562 -2.6949119 -2.6686299
|
|
2729 -2.9871562 -2.6949119 -2.693041
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2729 -2.9871562 -2.6949119 -2.693041
|
|
2730 -2.9871562 -2.6949119 -2.6555235
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2730 -2.9871562 -2.6949119 -2.6555235
|
|
2731 -2.9871562 -2.6949119 -2.6179505
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2731 -2.9871562 -2.6949119 -2.6179505
|
|
2732 -2.9871562 -2.6949119 -2.6928053
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2732 -2.9871562 -2.6949119 -2.6928053
|
|
2733 -2.9871562 -2.6949119 -2.679786
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2733 -2.9871562 -2.6949119 -2.679786
|
|
2734 -2.9871562 -2.6949119 -2.6416405
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2734 -2.9871562 -2.6949119 -2.6416405
|
|
2735 -2.9871562 -2.6949119 -2.6873593
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2735 -2.9871562 -2.6949119 -2.6873593
|
|
2736 -2.9871562 -2.6949119 -2.6782381
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2736 -2.9871562 -2.6949119 -2.6782381
|
|
2737 -2.9871562 -2.6949119 -2.6756129
|
|
Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2737 -2.9871562 -2.6949119 -2.6756129
|
|
2738 -2.9871562 -2.6949119 -2.6855957
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2738 -2.9871562 -2.6949119 -2.6855957
|
|
2739 -2.9871562 -2.6949119 -2.6807849
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2739 -2.9871562 -2.6949119 -2.6807849
|
|
2740 -2.9871562 -2.6949119 -2.6920798
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2740 -2.9871562 -2.6949119 -2.6920798
|
|
2741 -2.9871562 -2.6949119 -2.6744012
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2741 -2.9871562 -2.6949119 -2.6744012
|
|
2742 -2.9871562 -2.6949119 -2.6906902
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2742 -2.9871562 -2.6949119 -2.6906902
|
|
2743 -2.9871562 -2.6949119 -2.6505664
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2743 -2.9871562 -2.6949119 -2.6505664
|
|
2744 -2.9871562 -2.6949119 -2.6701288
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2744 -2.9871562 -2.6949119 -2.6701288
|
|
2745 -2.9871562 -2.6949119 -2.6720674
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2745 -2.9871562 -2.6949119 -2.6720674
|
|
2746 -2.9871562 -2.6949119 -2.693988
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2746 -2.9871562 -2.6949119 -2.693988
|
|
2747 -2.9871562 -2.6949119 -2.6653489
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2747 -2.9871562 -2.6949119 -2.6653489
|
|
2748 -2.9871562 -2.6949119 -2.6837344
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2748 -2.9871562 -2.6949119 -2.6837344
|
|
2749 -2.9871562 -2.6949119 -2.6879708
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2749 -2.9871562 -2.6949119 -2.6879708
|
|
2750 -2.9871562 -2.6949119 -2.6644806
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2750 -2.9871562 -2.6949119 -2.6644806
|
|
2751 -2.9871562 -2.6949119 -2.6549144
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2751 -2.9871562 -2.6949119 -2.6549144
|
|
2752 -2.9871562 -2.6949119 -2.6578104
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2752 -2.9871562 -2.6949119 -2.6578104
|
|
2753 -2.9871562 -2.6949119 -2.6920707
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2753 -2.9871562 -2.6949119 -2.6920707
|
|
2754 -2.9871562 -2.6949119 -2.686935
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2754 -2.9871562 -2.6949119 -2.686935
|
|
2755 -2.9871562 -2.6949119 -2.6710874
|
|
Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2755 -2.9871562 -2.6949119 -2.6710874
|
|
2756 -2.9871562 -2.6949119 -2.6826749
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2756 -2.9871562 -2.6949119 -2.6826749
|
|
2757 -2.9871562 -2.6949119 -2.6880237
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2757 -2.9871562 -2.6949119 -2.6880237
|
|
2758 -2.9871562 -2.6949119 -2.6820241
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2758 -2.9871562 -2.6949119 -2.6820241
|
|
2759 -2.9871562 -2.6949119 -2.6955955
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.69559552579261
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2759 -2.9871562 -2.6955955 -2.6955955
|
|
2760 -2.9871562 -2.6955955 -2.6514037
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2760 -2.9871562 -2.6955955 -2.6514037
|
|
2761 -2.9871562 -2.6955955 -2.677437
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2761 -2.9871562 -2.6955955 -2.677437
|
|
2762 -2.9871562 -2.6955955 -2.6795031
|
|
Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2762 -2.9871562 -2.6955955 -2.6795031
|
|
2763 -2.9871562 -2.6955955 -2.6877999
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2763 -2.9871562 -2.6955955 -2.6877999
|
|
2764 -2.9871562 -2.6955955 -2.66978
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2764 -2.9871562 -2.6955955 -2.66978
|
|
2765 -2.9871562 -2.6955955 -2.6932282
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2765 -2.9871562 -2.6955955 -2.6932282
|
|
2766 -2.9871562 -2.6955955 -2.6861176
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2766 -2.9871562 -2.6955955 -2.6861176
|
|
2767 -2.9871562 -2.6955955 -2.6949953
|
|
Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2767 -2.9871562 -2.6955955 -2.6949953
|
|
2768 -2.9871562 -2.6955955 -2.6944621
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2768 -2.9871562 -2.6955955 -2.6944621
|
|
2769 -2.9871562 -2.6955955 -2.6711059
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2769 -2.9871562 -2.6955955 -2.6711059
|
|
2770 -2.9871562 -2.6955955 -2.6530517
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2770 -2.9871562 -2.6955955 -2.6530517
|
|
2771 -2.9871562 -2.6955955 -2.6773687
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2771 -2.9871562 -2.6955955 -2.6773687
|
|
2772 -2.9871562 -2.6955955 -2.6727407
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2772 -2.9871562 -2.6955955 -2.6727407
|
|
2773 -2.9871562 -2.6955955 -2.6741976
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2773 -2.9871562 -2.6955955 -2.6741976
|
|
2774 -2.9871562 -2.6955955 -2.6557817
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2774 -2.9871562 -2.6955955 -2.6557817
|
|
2775 -2.9871562 -2.6955955 -2.6821278
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2775 -2.9871562 -2.6955955 -2.6821278
|
|
2776 -2.9871562 -2.6955955 -2.6822248
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2776 -2.9871562 -2.6955955 -2.6822248
|
|
2777 -2.9871562 -2.6955955 -2.6836741
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2777 -2.9871562 -2.6955955 -2.6836741
|
|
2778 -2.9871562 -2.6955955 -2.6522729
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2778 -2.9871562 -2.6955955 -2.6522729
|
|
2779 -2.9871562 -2.6955955 -2.6723018
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2779 -2.9871562 -2.6955955 -2.6723018
|
|
2780 -2.9871562 -2.6955955 -2.672963
|
|
Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2780 -2.9871562 -2.6955955 -2.672963
|
|
2781 -2.9871562 -2.6955955 -2.6885037
|
|
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2781 -2.9871562 -2.6955955 -2.6885037
|
|
2782 -2.9871562 -2.6955955 -2.6827737
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2782 -2.9871562 -2.6955955 -2.6827737
|
|
2783 -2.9871562 -2.6955955 -2.6628459
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2783 -2.9871562 -2.6955955 -2.6628459
|
|
2784 -2.9871562 -2.6955955 -2.6751531
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2784 -2.9871562 -2.6955955 -2.6751531
|
|
2785 -2.9871562 -2.6955955 -2.6790094
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2785 -2.9871562 -2.6955955 -2.6790094
|
|
2786 -2.9871562 -2.6955955 -2.6749552
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2786 -2.9871562 -2.6955955 -2.6749552
|
|
2787 -2.9871562 -2.6955955 -2.6708402
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2787 -2.9871562 -2.6955955 -2.6708402
|
|
2788 -2.9871562 -2.6955955 -2.6962501
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.69625006346231
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2788 -2.9871562 -2.6962501 -2.6962501
|
|
2789 -2.9871562 -2.6962501 -2.6861078
|
|
Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2789 -2.9871562 -2.6962501 -2.6861078
|
|
2790 -2.9871562 -2.6962501 -2.6904968
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2790 -2.9871562 -2.6962501 -2.6904968
|
|
2791 -2.9871562 -2.6962501 -2.6804966
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2791 -2.9871562 -2.6962501 -2.6804966
|
|
2792 -2.9871562 -2.6962501 -2.6643829
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2792 -2.9871562 -2.6962501 -2.6643829
|
|
2793 -2.9871562 -2.6962501 -2.6893231
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2793 -2.9871562 -2.6962501 -2.6893231
|
|
2794 -2.9871562 -2.6962501 -2.6639712
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2794 -2.9871562 -2.6962501 -2.6639712
|
|
2795 -2.9871562 -2.6962501 -2.6891689
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2795 -2.9871562 -2.6962501 -2.6891689
|
|
2796 -2.9871562 -2.6962501 -2.6975619
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.69756185986706
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2796 -2.9871562 -2.6975619 -2.6975619
|
|
2797 -2.9871562 -2.6975619 -2.6965386
|
|
Loop time of 4.79221e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2797 -2.9871562 -2.6975619 -2.6965386
|
|
2798 -2.9871562 -2.6975619 -2.6930526
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2798 -2.9871562 -2.6975619 -2.6930526
|
|
2799 -2.9871562 -2.6975619 -2.6892268
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2799 -2.9871562 -2.6975619 -2.6892268
|
|
2800 -2.9871562 -2.6975619 -2.6792329
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2800 -2.9871562 -2.6975619 -2.6792329
|
|
2801 -2.9871562 -2.6975619 -2.6857988
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2801 -2.9871562 -2.6975619 -2.6857988
|
|
2802 -2.9871562 -2.6975619 -2.6933951
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2802 -2.9871562 -2.6975619 -2.6933951
|
|
2803 -2.9871562 -2.6975619 -2.6585682
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2803 -2.9871562 -2.6975619 -2.6585682
|
|
2804 -2.9871562 -2.6975619 -2.6671068
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2804 -2.9871562 -2.6975619 -2.6671068
|
|
2805 -2.9871562 -2.6975619 -2.6726835
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2805 -2.9871562 -2.6975619 -2.6726835
|
|
2806 -2.9871562 -2.6975619 -2.6445408
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2806 -2.9871562 -2.6975619 -2.6445408
|
|
2807 -2.9871562 -2.6975619 -2.6877291
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2807 -2.9871562 -2.6975619 -2.6877291
|
|
2808 -2.9871562 -2.6975619 -2.6764837
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2808 -2.9871562 -2.6975619 -2.6764837
|
|
2809 -2.9871562 -2.6975619 -2.657286
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2809 -2.9871562 -2.6975619 -2.657286
|
|
2810 -2.9871562 -2.6975619 -2.6841473
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2810 -2.9871562 -2.6975619 -2.6841473
|
|
2811 -2.9871562 -2.6975619 -2.6706771
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2811 -2.9871562 -2.6975619 -2.6706771
|
|
2812 -2.9871562 -2.6975619 -2.7038827
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.70388268408068
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2812 -2.9871562 -2.7038827 -2.7038827
|
|
2813 -2.9871562 -2.7038827 -2.6855546
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2813 -2.9871562 -2.7038827 -2.6855546
|
|
2814 -2.9871562 -2.7038827 -2.7039811
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.70398109944026
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2814 -2.9871562 -2.7039811 -2.7039811
|
|
2815 -2.9871562 -2.7039811 -2.6970387
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2815 -2.9871562 -2.7039811 -2.6970387
|
|
2816 -2.9871562 -2.7039811 -2.6938056
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2816 -2.9871562 -2.7039811 -2.6938056
|
|
2817 -2.9871562 -2.7039811 -2.7036885
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.7036884791245
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2817 -2.9871562 -2.7036885 -2.7036885
|
|
2818 -2.9871562 -2.7036885 -2.6747974
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2818 -2.9871562 -2.7036885 -2.6747974
|
|
2819 -2.9871562 -2.7036885 -2.683834
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2819 -2.9871562 -2.7036885 -2.683834
|
|
2820 -2.9871562 -2.7036885 -2.6994736
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2820 -2.9871562 -2.7036885 -2.6994736
|
|
2821 -2.9871562 -2.7036885 -2.6853998
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2821 -2.9871562 -2.7036885 -2.6853998
|
|
2822 -2.9871562 -2.7036885 -2.6952845
|
|
Loop time of 4.60148e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2822 -2.9871562 -2.7036885 -2.6952845
|
|
2823 -2.9871562 -2.7036885 -2.6895932
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2823 -2.9871562 -2.7036885 -2.6895932
|
|
2824 -2.9871562 -2.7036885 -2.6862148
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2824 -2.9871562 -2.7036885 -2.6862148
|
|
2825 -2.9871562 -2.7036885 -2.6498574
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2825 -2.9871562 -2.7036885 -2.6498574
|
|
2826 -2.9871562 -2.7036885 -2.6920662
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2826 -2.9871562 -2.7036885 -2.6920662
|
|
2827 -2.9871562 -2.7036885 -2.6470524
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2827 -2.9871562 -2.7036885 -2.6470524
|
|
2828 -2.9871562 -2.7036885 -2.7042267
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.70422670597453
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2828 -2.9871562 -2.7042267 -2.7042267
|
|
2829 -2.9871562 -2.7042267 -2.6593549
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2829 -2.9871562 -2.7042267 -2.6593549
|
|
2830 -2.9871562 -2.7042267 -2.6938185
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2830 -2.9871562 -2.7042267 -2.6938185
|
|
2831 -2.9871562 -2.7042267 -2.7002362
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2831 -2.9871562 -2.7042267 -2.7002362
|
|
2832 -2.9871562 -2.7042267 -2.6855632
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2832 -2.9871562 -2.7042267 -2.6855632
|
|
2833 -2.9871562 -2.7042267 -2.7075656
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.70756555895063
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2833 -2.9871562 -2.7075656 -2.7075656
|
|
2834 -2.9871562 -2.7075656 -2.6781789
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2834 -2.9871562 -2.7075656 -2.6781789
|
|
2835 -2.9871562 -2.7075656 -2.695654
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2835 -2.9871562 -2.7075656 -2.695654
|
|
2836 -2.9871562 -2.7075656 -2.7045164
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2836 -2.9871562 -2.7075656 -2.7045164
|
|
2837 -2.9871562 -2.7075656 -2.7064383
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2837 -2.9871562 -2.7075656 -2.7064383
|
|
2838 -2.9871562 -2.7075656 -2.699277
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2838 -2.9871562 -2.7075656 -2.699277
|
|
2839 -2.9871562 -2.7075656 -2.6946977
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2839 -2.9871562 -2.7075656 -2.6946977
|
|
2840 -2.9871562 -2.7075656 -2.6775819
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2840 -2.9871562 -2.7075656 -2.6775819
|
|
2841 -2.9871562 -2.7075656 -2.626449
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2841 -2.9871562 -2.7075656 -2.626449
|
|
2842 -2.9871562 -2.7075656 -2.6699174
|
|
Loop time of 4.69685e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2842 -2.9871562 -2.7075656 -2.6699174
|
|
2843 -2.9871562 -2.7075656 -2.6856934
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2843 -2.9871562 -2.7075656 -2.6856934
|
|
2844 -2.9871562 -2.7075656 -2.6945248
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2844 -2.9871562 -2.7075656 -2.6945248
|
|
2845 -2.9871562 -2.7075656 -2.6708197
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2845 -2.9871562 -2.7075656 -2.6708197
|
|
2846 -2.9871562 -2.7075656 -2.7065801
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2846 -2.9871562 -2.7075656 -2.7065801
|
|
2847 -2.9871562 -2.7075656 -2.7056033
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2847 -2.9871562 -2.7075656 -2.7056033
|
|
2848 -2.9871562 -2.7075656 -2.6893659
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2848 -2.9871562 -2.7075656 -2.6893659
|
|
2849 -2.9871562 -2.7075656 -2.6836434
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2849 -2.9871562 -2.7075656 -2.6836434
|
|
2850 -2.9871562 -2.7075656 -2.6987194
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2850 -2.9871562 -2.7075656 -2.6987194
|
|
2851 -2.9871562 -2.7075656 -2.6902885
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2851 -2.9871562 -2.7075656 -2.6902885
|
|
2852 -2.9871562 -2.7075656 -2.6439516
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2852 -2.9871562 -2.7075656 -2.6439516
|
|
2853 -2.9871562 -2.7075656 -2.6966749
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2853 -2.9871562 -2.7075656 -2.6966749
|
|
2854 -2.9871562 -2.7075656 -2.702625
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2854 -2.9871562 -2.7075656 -2.702625
|
|
2855 -2.9871562 -2.7075656 -2.7036844
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2855 -2.9871562 -2.7075656 -2.7036844
|
|
2856 -2.9871562 -2.7075656 -2.6875748
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2856 -2.9871562 -2.7075656 -2.6875748
|
|
2857 -2.9871562 -2.7075656 -2.6319502
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2857 -2.9871562 -2.7075656 -2.6319502
|
|
2858 -2.9871562 -2.7075656 -2.6886809
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2858 -2.9871562 -2.7075656 -2.6886809
|
|
2859 -2.9871562 -2.7075656 -2.7024034
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2859 -2.9871562 -2.7075656 -2.7024034
|
|
2860 -2.9871562 -2.7075656 -2.6911599
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2860 -2.9871562 -2.7075656 -2.6911599
|
|
2861 -2.9871562 -2.7075656 -2.7028136
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2861 -2.9871562 -2.7075656 -2.7028136
|
|
2862 -2.9871562 -2.7075656 -2.6931487
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2862 -2.9871562 -2.7075656 -2.6931487
|
|
2863 -2.9871562 -2.7075656 -2.6888128
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2863 -2.9871562 -2.7075656 -2.6888128
|
|
2864 -2.9871562 -2.7075656 -2.6550399
|
|
Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2864 -2.9871562 -2.7075656 -2.6550399
|
|
2865 -2.9871562 -2.7075656 -2.6696713
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2865 -2.9871562 -2.7075656 -2.6696713
|
|
2866 -2.9871562 -2.7075656 -2.7086286
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.70862861003016
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2866 -2.9871562 -2.7086286 -2.7086286
|
|
2867 -2.9871562 -2.7086286 -2.7041528
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2867 -2.9871562 -2.7086286 -2.7041528
|
|
2868 -2.9871562 -2.7086286 -2.6809083
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2868 -2.9871562 -2.7086286 -2.6809083
|
|
2869 -2.9871562 -2.7086286 -2.7061582
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2869 -2.9871562 -2.7086286 -2.7061582
|
|
2870 -2.9871562 -2.7086286 -2.6808417
|
|
Loop time of 5.00679e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2870 -2.9871562 -2.7086286 -2.6808417
|
|
2871 -2.9871562 -2.7086286 -2.6990288
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2871 -2.9871562 -2.7086286 -2.6990288
|
|
2872 -2.9871562 -2.7086286 -2.6896902
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2872 -2.9871562 -2.7086286 -2.6896902
|
|
2873 -2.9871562 -2.7086286 -2.686395
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2873 -2.9871562 -2.7086286 -2.686395
|
|
2874 -2.9871562 -2.7086286 -2.6926029
|
|
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2874 -2.9871562 -2.7086286 -2.6926029
|
|
2875 -2.9871562 -2.7086286 -2.7036746
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2875 -2.9871562 -2.7086286 -2.7036746
|
|
2876 -2.9871562 -2.7086286 -2.7057709
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2876 -2.9871562 -2.7086286 -2.7057709
|
|
2877 -2.9871562 -2.7086286 -2.6865043
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2877 -2.9871562 -2.7086286 -2.6865043
|
|
2878 -2.9871562 -2.7086286 -2.6866557
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2878 -2.9871562 -2.7086286 -2.6866557
|
|
2879 -2.9871562 -2.7086286 -2.7031569
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2879 -2.9871562 -2.7086286 -2.7031569
|
|
2880 -2.9871562 -2.7086286 -2.6932152
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2880 -2.9871562 -2.7086286 -2.6932152
|
|
2881 -2.9871562 -2.7086286 -2.6869543
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2881 -2.9871562 -2.7086286 -2.6869543
|
|
2882 -2.9871562 -2.7086286 -2.6846671
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2882 -2.9871562 -2.7086286 -2.6846671
|
|
2883 -2.9871562 -2.7086286 -2.6967679
|
|
Loop time of 8.60691e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2883 -2.9871562 -2.7086286 -2.6967679
|
|
2884 -2.9871562 -2.7086286 -2.6965149
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2884 -2.9871562 -2.7086286 -2.6965149
|
|
2885 -2.9871562 -2.7086286 -2.7043263
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2885 -2.9871562 -2.7086286 -2.7043263
|
|
2886 -2.9871562 -2.7086286 -2.6267812
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2886 -2.9871562 -2.7086286 -2.6267812
|
|
2887 -2.9871562 -2.7086286 -2.6615155
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2887 -2.9871562 -2.7086286 -2.6615155
|
|
2888 -2.9871562 -2.7086286 -2.7011576
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2888 -2.9871562 -2.7086286 -2.7011576
|
|
2889 -2.9871562 -2.7086286 -2.7079253
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2889 -2.9871562 -2.7086286 -2.7079253
|
|
2890 -2.9871562 -2.7086286 -2.6771987
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2890 -2.9871562 -2.7086286 -2.6771987
|
|
2891 -2.9871562 -2.7086286 -2.6798537
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2891 -2.9871562 -2.7086286 -2.6798537
|
|
2892 -2.9871562 -2.7086286 -2.6985446
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2892 -2.9871562 -2.7086286 -2.6985446
|
|
2893 -2.9871562 -2.7086286 -2.6989442
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2893 -2.9871562 -2.7086286 -2.6989442
|
|
2894 -2.9871562 -2.7086286 -2.6825408
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2894 -2.9871562 -2.7086286 -2.6825408
|
|
2895 -2.9871562 -2.7086286 -2.7191227
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.71912271420309
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2895 -2.9871562 -2.7191227 -2.7191227
|
|
2896 -2.9871562 -2.7191227 -2.7123168
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2896 -2.9871562 -2.7191227 -2.7123168
|
|
2897 -2.9871562 -2.7191227 -2.6803699
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2897 -2.9871562 -2.7191227 -2.6803699
|
|
2898 -2.9871562 -2.7191227 -2.712109
|
|
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2898 -2.9871562 -2.7191227 -2.712109
|
|
2899 -2.9871562 -2.7191227 -2.7082273
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2899 -2.9871562 -2.7191227 -2.7082273
|
|
2900 -2.9871562 -2.7191227 -2.7200627
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.72006274971812
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2900 -2.9871562 -2.7200627 -2.7200627
|
|
2901 -2.9871562 -2.7200627 -2.7206882
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.72068816391969
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2901 -2.9871562 -2.7206882 -2.7206882
|
|
2902 -2.9871562 -2.7206882 -2.7168617
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2902 -2.9871562 -2.7206882 -2.7168617
|
|
2903 -2.9871562 -2.7206882 -2.7022689
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2903 -2.9871562 -2.7206882 -2.7022689
|
|
2904 -2.9871562 -2.7206882 -2.6863183
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2904 -2.9871562 -2.7206882 -2.6863183
|
|
2905 -2.9871562 -2.7206882 -2.7094756
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2905 -2.9871562 -2.7206882 -2.7094756
|
|
2906 -2.9871562 -2.7206882 -2.7176858
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2906 -2.9871562 -2.7206882 -2.7176858
|
|
2907 -2.9871562 -2.7206882 -2.6867766
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2907 -2.9871562 -2.7206882 -2.6867766
|
|
2908 -2.9871562 -2.7206882 -2.6863193
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2908 -2.9871562 -2.7206882 -2.6863193
|
|
2909 -2.9871562 -2.7206882 -2.7092679
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2909 -2.9871562 -2.7206882 -2.7092679
|
|
2910 -2.9871562 -2.7206882 -2.7164978
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2910 -2.9871562 -2.7206882 -2.7164978
|
|
2911 -2.9871562 -2.7206882 -2.7096929
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2911 -2.9871562 -2.7206882 -2.7096929
|
|
2912 -2.9871562 -2.7206882 -2.6772868
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2912 -2.9871562 -2.7206882 -2.6772868
|
|
2913 -2.9871562 -2.7206882 -2.6845626
|
|
Loop time of 0.0186911 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2913 -2.9871562 -2.7206882 -2.6845626
|
|
2914 -2.9871562 -2.7206882 -2.6967431
|
|
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2914 -2.9871562 -2.7206882 -2.6967431
|
|
2915 -2.9871562 -2.7206882 -2.703797
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2915 -2.9871562 -2.7206882 -2.703797
|
|
2916 -2.9871562 -2.7206882 -2.7220982
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.72209819007564
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2916 -2.9871562 -2.7220982 -2.7220982
|
|
2917 -2.9871562 -2.7220982 -2.6817718
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2917 -2.9871562 -2.7220982 -2.6817718
|
|
2918 -2.9871562 -2.7220982 -2.6798409
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2918 -2.9871562 -2.7220982 -2.6798409
|
|
2919 -2.9871562 -2.7220982 -2.6740291
|
|
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2919 -2.9871562 -2.7220982 -2.6740291
|
|
2920 -2.9871562 -2.7220982 -2.7137503
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2920 -2.9871562 -2.7220982 -2.7137503
|
|
2921 -2.9871562 -2.7220982 -2.701817
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2921 -2.9871562 -2.7220982 -2.701817
|
|
2922 -2.9871562 -2.7220982 -2.709254
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2922 -2.9871562 -2.7220982 -2.709254
|
|
2923 -2.9871562 -2.7220982 -2.6690752
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2923 -2.9871562 -2.7220982 -2.6690752
|
|
2924 -2.9871562 -2.7220982 -2.6988867
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2924 -2.9871562 -2.7220982 -2.6988867
|
|
2925 -2.9871562 -2.7220982 -2.7112764
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2925 -2.9871562 -2.7220982 -2.7112764
|
|
2926 -2.9871562 -2.7220982 -2.7035372
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2926 -2.9871562 -2.7220982 -2.7035372
|
|
2927 -2.9871562 -2.7220982 -2.6768595
|
|
Loop time of 8.2016e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2927 -2.9871562 -2.7220982 -2.6768595
|
|
2928 -2.9871562 -2.7220982 -2.7033033
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2928 -2.9871562 -2.7220982 -2.7033033
|
|
2929 -2.9871562 -2.7220982 -2.7071954
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2929 -2.9871562 -2.7220982 -2.7071954
|
|
2930 -2.9871562 -2.7220982 -2.6956425
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2930 -2.9871562 -2.7220982 -2.6956425
|
|
2931 -2.9871562 -2.7220982 -2.7007158
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2931 -2.9871562 -2.7220982 -2.7007158
|
|
2932 -2.9871562 -2.7220982 -2.6918091
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2932 -2.9871562 -2.7220982 -2.6918091
|
|
2933 -2.9871562 -2.7220982 -2.7093174
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2933 -2.9871562 -2.7220982 -2.7093174
|
|
2934 -2.9871562 -2.7220982 -2.7069946
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2934 -2.9871562 -2.7220982 -2.7069946
|
|
2935 -2.9871562 -2.7220982 -2.7214406
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.7214406128672
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2935 -2.9871562 -2.7214406 -2.7214406
|
|
2936 -2.9871562 -2.7214406 -2.6408922
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2936 -2.9871562 -2.7214406 -2.6408922
|
|
2937 -2.9871562 -2.7214406 -2.7063003
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2937 -2.9871562 -2.7214406 -2.7063003
|
|
2938 -2.9871562 -2.7214406 -2.7064794
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2938 -2.9871562 -2.7214406 -2.7064794
|
|
2939 -2.9871562 -2.7214406 -2.7127907
|
|
Loop time of 8.4877e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2939 -2.9871562 -2.7214406 -2.7127907
|
|
2940 -2.9871562 -2.7214406 -2.7233034
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.72330336844771
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2940 -2.9871562 -2.7233034 -2.7233034
|
|
2941 -2.9871562 -2.7233034 -2.7096076
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2941 -2.9871562 -2.7233034 -2.7096076
|
|
2942 -2.9871562 -2.7233034 -2.7309369
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.73093686824124
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2942 -2.9871562 -2.7309369 -2.7309369
|
|
2943 -2.9871562 -2.7309369 -2.7094326
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2943 -2.9871562 -2.7309369 -2.7094326
|
|
2944 -2.9871562 -2.7309369 -2.7274371
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2944 -2.9871562 -2.7309369 -2.7274371
|
|
2945 -2.9871562 -2.7309369 -2.721878
|
|
Loop time of 7.70092e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2945 -2.9871562 -2.7309369 -2.721878
|
|
2946 -2.9871562 -2.7309369 -2.7119534
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2946 -2.9871562 -2.7309369 -2.7119534
|
|
2947 -2.9871562 -2.7309369 -2.7294806
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.72948059562197
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2947 -2.9871562 -2.7294806 -2.7294806
|
|
2948 -2.9871562 -2.7294806 -2.6942317
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2948 -2.9871562 -2.7294806 -2.6942317
|
|
2949 -2.9871562 -2.7294806 -2.7314917
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.73149168308741
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2949 -2.9871562 -2.7314917 -2.7314917
|
|
2950 -2.9871562 -2.7314917 -2.7185607
|
|
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2950 -2.9871562 -2.7314917 -2.7185607
|
|
2951 -2.9871562 -2.7314917 -2.7150198
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2951 -2.9871562 -2.7314917 -2.7150198
|
|
2952 -2.9871562 -2.7314917 -2.6967941
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2952 -2.9871562 -2.7314917 -2.6967941
|
|
2953 -2.9871562 -2.7314917 -2.7257724
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2953 -2.9871562 -2.7314917 -2.7257724
|
|
2954 -2.9871562 -2.7314917 -2.7249252
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2954 -2.9871562 -2.7314917 -2.7249252
|
|
2955 -2.9871562 -2.7314917 -2.7043442
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2955 -2.9871562 -2.7314917 -2.7043442
|
|
2956 -2.9871562 -2.7314917 -2.7103953
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2956 -2.9871562 -2.7314917 -2.7103953
|
|
2957 -2.9871562 -2.7314917 -2.7187171
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2957 -2.9871562 -2.7314917 -2.7187171
|
|
2958 -2.9871562 -2.7314917 -2.724445
|
|
Loop time of 0.0225611 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2958 -2.9871562 -2.7314917 -2.724445
|
|
2959 -2.9871562 -2.7314917 -2.7058065
|
|
Loop time of 4.72069e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2959 -2.9871562 -2.7314917 -2.7058065
|
|
2960 -2.9871562 -2.7314917 -2.7128876
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2960 -2.9871562 -2.7314917 -2.7128876
|
|
2961 -2.9871562 -2.7314917 -2.7309838
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.73098376070132
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2961 -2.9871562 -2.7309838 -2.7309838
|
|
2962 -2.9871562 -2.7309838 -2.691913
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2962 -2.9871562 -2.7309838 -2.691913
|
|
2963 -2.9871562 -2.7309838 -2.6946384
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2963 -2.9871562 -2.7309838 -2.6946384
|
|
2964 -2.9871562 -2.7309838 -2.7258389
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2964 -2.9871562 -2.7309838 -2.7258389
|
|
2965 -2.9871562 -2.7309838 -2.7291108
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2965 -2.9871562 -2.7309838 -2.7291108
|
|
2966 -2.9871562 -2.7309838 -2.7152084
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2966 -2.9871562 -2.7309838 -2.7152084
|
|
2967 -2.9871562 -2.7309838 -2.7228882
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2967 -2.9871562 -2.7309838 -2.7228882
|
|
2968 -2.9871562 -2.7309838 -2.7252658
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2968 -2.9871562 -2.7309838 -2.7252658
|
|
2969 -2.9871562 -2.7309838 -2.7138808
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2969 -2.9871562 -2.7309838 -2.7138808
|
|
2970 -2.9871562 -2.7309838 -2.7108255
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2970 -2.9871562 -2.7309838 -2.7108255
|
|
2971 -2.9871562 -2.7309838 -2.7152745
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2971 -2.9871562 -2.7309838 -2.7152745
|
|
2972 -2.9871562 -2.7309838 -2.722475
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2972 -2.9871562 -2.7309838 -2.722475
|
|
2973 -2.9871562 -2.7309838 -2.7175435
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2973 -2.9871562 -2.7309838 -2.7175435
|
|
2974 -2.9871562 -2.7309838 -2.7316382
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.73163823760581
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2974 -2.9871562 -2.7316382 -2.7316382
|
|
2975 -2.9871562 -2.7316382 -2.7042328
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2975 -2.9871562 -2.7316382 -2.7042328
|
|
2976 -2.9871562 -2.7316382 -2.7186023
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2976 -2.9871562 -2.7316382 -2.7186023
|
|
2977 -2.9871562 -2.7316382 -2.6828842
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2977 -2.9871562 -2.7316382 -2.6828842
|
|
2978 -2.9871562 -2.7316382 -2.7375584
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.73755836809111
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2978 -2.9871562 -2.7375584 -2.7375584
|
|
2979 -2.9871562 -2.7375584 -2.6885032
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2979 -2.9871562 -2.7375584 -2.6885032
|
|
2980 -2.9871562 -2.7375584 -2.698477
|
|
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2980 -2.9871562 -2.7375584 -2.698477
|
|
2981 -2.9871562 -2.7375584 -2.7194821
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2981 -2.9871562 -2.7375584 -2.7194821
|
|
2982 -2.9871562 -2.7375584 -2.7225137
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2982 -2.9871562 -2.7375584 -2.7225137
|
|
2983 -2.9871562 -2.7375584 -2.7247644
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2983 -2.9871562 -2.7375584 -2.7247644
|
|
2984 -2.9871562 -2.7375584 -2.7264793
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2984 -2.9871562 -2.7375584 -2.7264793
|
|
2985 -2.9871562 -2.7375584 -2.7045307
|
|
Loop time of 3.38554e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2985 -2.9871562 -2.7375584 -2.7045307
|
|
2986 -2.9871562 -2.7375584 -2.7337196
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2986 -2.9871562 -2.7375584 -2.7337196
|
|
2987 -2.9871562 -2.7375584 -2.7404694
|
|
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.74046936071748
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2987 -2.9871562 -2.7404694 -2.7404694
|
|
2988 -2.9871562 -2.7404694 -2.7296953
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2988 -2.9871562 -2.7404694 -2.7296953
|
|
2989 -2.9871562 -2.7404694 -2.7242893
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2989 -2.9871562 -2.7404694 -2.7242893
|
|
2990 -2.9871562 -2.7404694 -2.7310899
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2990 -2.9871562 -2.7404694 -2.7310899
|
|
2991 -2.9871562 -2.7404694 -2.6896681
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2991 -2.9871562 -2.7404694 -2.6896681
|
|
2992 -2.9871562 -2.7404694 -2.7164204
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2992 -2.9871562 -2.7404694 -2.7164204
|
|
2993 -2.9871562 -2.7404694 -2.7362149
|
|
Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2993 -2.9871562 -2.7404694 -2.7362149
|
|
2994 -2.9871562 -2.7404694 -2.734481
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2994 -2.9871562 -2.7404694 -2.734481
|
|
2995 -2.9871562 -2.7404694 -2.737246
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2995 -2.9871562 -2.7404694 -2.737246
|
|
2996 -2.9871562 -2.7404694 -2.7201771
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2996 -2.9871562 -2.7404694 -2.7201771
|
|
2997 -2.9871562 -2.7404694 -2.7384292
|
|
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2997 -2.9871562 -2.7404694 -2.7384292
|
|
2998 -2.9871562 -2.7404694 -2.7325264
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2998 -2.9871562 -2.7404694 -2.7325264
|
|
2999 -2.9871562 -2.7404694 -2.7381282
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
run 1 pre no post no
|
|
Step emin elast PotEng
|
|
2999 -2.9871562 -2.7404694 -2.7381282
|
|
3000 -2.9871562 -2.7404694 -2.7413423
|
|
Loop time of 3.40939e-05 on 1 procs for 1 steps with 100 atoms
|
|
variable elast equal $e
|
|
variable elast equal -2.7413422908222
|
|
variable nbuild equal nbuild
|
|
run 0
|
|
WARNING: No fixes defined, atoms won't move (verlet.cpp:55)
|
|
Memory usage per processor = 2.35582 Mbytes
|
|
Step emin elast PotEng
|
|
3000 -2.9871562 -2.7413423 -2.7413423
|
|
Loop time of 0 on 1 procs for 0 steps with 100 atoms
|
|
|
|
Pair time (%) = 0 (0)
|
|
Neigh time (%) = 0 (0)
|
|
Comm time (%) = 0 (0)
|
|
Outpt time (%) = 0 (0)
|
|
Other time (%) = 0 (0)
|
|
|
|
Nlocal: 100 ave 100 max 100 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Nghost: 152 ave 152 max 152 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Neighs: 1036 ave 1036 max 1036 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 1036
|
|
Ave neighs/atom = 10.36
|
|
Neighbor list builds = 0
|
|
Dangerous builds = 0
|