update data file with pre-style marker versions
This commit is contained in:
Axel Kohlmeyer
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@ -1,4 +1,4 @@
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LAMMPS data file via write_data, version 31 Jan 2014-ICMS, timestep = 100
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LAMMPS data file via write_data, version 4 Mar 2014, timestep = 100
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1280 atoms
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5 atom types
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@ -18,7 +18,7 @@ Masses
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4 15.9994
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5 1.00797
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Pair Coeffs # lj/cut/coul/long
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Pair Coeffs
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1 1.3297e-06 4.27132
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2 1.8402e-06 3.30196
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@ -26,11 +26,11 @@ Pair Coeffs # lj/cut/coul/long
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4 0.155416 3.16552
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5 0 0
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Bond Coeffs # harmonic
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Bond Coeffs
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1 553.935 1
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Atoms # full
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Atoms
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1 1 1 1.5750000000000000e+00 2.5993596520046260e+00 1.4882900600258182e+00 -1.0812491332750085e-03 0 0 0
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2 1 2 2.1000000000000001e+00 3.3881083617607270e+00 8.8638081118868861e+00 2.7520703123178425e+00 0 0 0
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Load Diff
@ -1,4 +1,4 @@
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LAMMPS data file via write_data, version 31 Jan 2014-ICMS, timestep = 41
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LAMMPS data file via write_data, version 4 Mar 2014, timestep = 41
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604 atoms
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1 atom types
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@ -20,27 +20,27 @@ Masses
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1 12.0112
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Pair Coeffs # lj/cut/coul/cut
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Pair Coeffs
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1 0.148 3.61705
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Bond Coeffs # harmonic
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Bond Coeffs
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1 480 1.34
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Angle Coeffs # harmonic
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Angle Coeffs
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1 90 120
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Dihedral Coeffs # harmonic
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Dihedral Coeffs
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1 3 -1 2
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Improper Coeffs # cvff
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Improper Coeffs
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1 0.37 -1 2
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Atoms # full
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Atoms
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1 1 1 0.0000000000000000e+00 -5.9597004484401577e+00 8.0906584303327698e+00 1.1226952187913573e+00 1 0 0
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2 1 1 0.0000000000000000e+00 -6.4753624980262243e+00 8.7481376051907702e+00 2.2302433998443507e+00 1 0 0
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File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
@ -1,4 +1,4 @@
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LAMMPS data file via write_data, version 31 Jan 2014-ICMS, timestep = 32
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LAMMPS data file via write_data, version 4 Mar 2014, timestep = 32
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604 atoms
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1 atom types
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@ -20,15 +20,15 @@ Masses
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1 12.0112
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Pair Coeffs # lj/class2/coul/cut
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Pair Coeffs
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1 0.064 4.01
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Bond Coeffs # class2
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Bond Coeffs
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1 1.417 470.836 -627.618 1327.63
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Angle Coeffs # class2
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Angle Coeffs
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1 118.9 61.0226 -34.9931 0
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@ -40,7 +40,7 @@ BondAngle Coeffs
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1 28.8708 28.8708 1.417 1.417
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Dihedral Coeffs # class2
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Dihedral Coeffs
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1 8.3667 0 1.1932 0 0 0
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@ -64,7 +64,7 @@ AngleTorsion Coeffs
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1 1.9767 1.0239 0 1.9767 1.0239 0 118.9 118.9
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Improper Coeffs # class2
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Improper Coeffs
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1 7.1794 0
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@ -72,11 +72,11 @@ AngleAngle Coeffs
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1 0 0 0 118.9 118.9 118.9
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Atoms # full
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Atoms
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1 1 1 0.0000000000000000e+00 -5.8155235401838343e+00 8.1866555657024112e+00 1.1226375149871666e+00 1 0 0
|
||||
2 1 1 0.0000000000000000e+00 -6.3492233307635493e+00 8.8637528669065251e+00 2.2305392145707712e+00 1 0 0
|
||||
3 1 1 0.0000000000000000e+00 -7.8574236250380913e+00 9.9254535143405374e+00 6.6304403231942177e-01 1 0 0
|
||||
3 1 1 0.0000000000000000e+00 -7.8574236250380913e+00 9.9254535143405374e+00 6.6304403231942166e-01 1 0 0
|
||||
4 1 1 0.0000000000000000e+00 -7.4356937387694373e+00 9.7128175429889225e+00 1.9933669316910529e+00 1 0 0
|
||||
5 1 1 0.0000000000000000e+00 -8.2198496692097329e+00 1.0070559643619744e+01 3.1013641208721419e+00 1 0 0
|
||||
6 1 1 0.0000000000000000e+00 -6.0416933554496826e+00 8.5055807840742794e+00 3.5609463579098919e+00 1 0 0
|
||||
@ -85,8 +85,8 @@ Atoms # full
|
||||
9 1 1 0.0000000000000000e+00 -6.9320095390287131e+00 9.3839207289803248e+00 7.1072317249795836e+00 1 0 0
|
||||
10 1 1 0.0000000000000000e+00 -5.7047105707875740e+00 8.0069537893961265e+00 8.6746850750560842e+00 1 0 0
|
||||
11 1 1 0.0000000000000000e+00 -5.9159400891357885e+00 8.3353569124820055e+00 1.1113077175978555e+01 1 0 0
|
||||
12 1 1 0.0000000000000000e+00 -9.1852904443454229e+00 1.0297084554037442e+01 4.2588055030623578e-01 1 0 0
|
||||
13 1 1 0.0000000000000000e+00 2.9665135679296819e+00 1.0324107196341956e+01 1.5338823581569432e+00 0 0 0
|
||||
12 1 1 0.0000000000000000e+00 -9.1852904443454229e+00 1.0297084554037442e+01 4.2588055030623573e-01 1 0 0
|
||||
13 1 1 0.0000000000000000e+00 2.9665135679296801e+00 1.0324107196341956e+01 1.5338823581569432e+00 0 0 0
|
||||
14 1 1 0.0000000000000000e+00 3.4389019183988880e+00 1.0329289520686501e+01 2.8642665834846470e+00 0 0 0
|
||||
15 1 1 0.0000000000000000e+00 2.5781751194562252e+00 1.0283381144000627e+01 3.9722546416700530e+00 0 0 0
|
||||
16 1 1 0.0000000000000000e+00 -7.7820119921592701e+00 9.8935323615212862e+00 4.4317173614821614e+00 1 0 0
|
||||
@ -102,7 +102,7 @@ Atoms # full
|
||||
26 1 1 0.0000000000000000e+00 -6.4172145269826588e+00 8.9340165839049561e+00 1.5989708171901391e+01 1 0 0
|
||||
27 1 1 0.0000000000000000e+00 -5.2619382030633588e-01 8.4246011718307496e+00 8.3717613049573003e-01 0 0 0
|
||||
28 1 1 0.0000000000000000e+00 1.6179970753606474e+00 1.0035777706476015e+01 1.2967679740992943e+00 0 0 0
|
||||
29 1 1 0.0000000000000000e+00 8.4170738841861326e-01 9.6612957841915534e+00 2.4047575574273208e+00 0 0 0
|
||||
29 1 1 0.0000000000000000e+00 8.4170738841861503e-01 9.6612957841915534e+00 2.4047575574273212e+00 0 0 0
|
||||
30 1 1 0.0000000000000000e+00 1.2586923946015807e+00 9.8830757085713845e+00 3.7350792193522611e+00 0 0 0
|
||||
31 1 1 0.0000000000000000e+00 5.1535136933356362e-01 9.4468293092839772e+00 4.8430507710989650e+00 0 0 0
|
||||
32 1 1 0.0000000000000000e+00 3.0482534987694763e+00 1.0328351061159198e+01 5.3026403008340965e+00 0 0 0
|
||||
@ -151,9 +151,9 @@ Atoms # full
|
||||
75 1 1 0.0000000000000000e+00 -7.6807864792574749e+00 9.8422045562059122e+00 2.5743096382354608e+01 1 0 0
|
||||
76 1 1 0.0000000000000000e+00 -5.7126803319685049e+00 8.0204706539030859e+00 2.6202660047080542e+01 1 0 0
|
||||
77 1 1 0.0000000000000000e+00 -6.2176666125627413e+00 8.7191339971994921e+00 2.7310602127215780e+01 1 0 0
|
||||
78 1 1 0.0000000000000000e+00 -5.9252807253007393e+00 8.3484538378108013e+00 2.8640999469650318e+01 1 0 0
|
||||
79 1 1 0.0000000000000000e+00 -6.4866469016745931e+00 9.0028605316384009e+00 2.9748887118948907e+01 1 0 0
|
||||
80 1 1 0.0000000000000000e+00 -1.3106945820932783e+00 4.5280541914610399e+00 1.4053361468839098e-01 0 0 0
|
||||
78 1 1 0.0000000000000000e+00 -5.9252807253007402e+00 8.3484538378108013e+00 2.8640999469650318e+01 1 0 0
|
||||
79 1 1 0.0000000000000000e+00 -6.4866469016745931e+00 9.0028605316384027e+00 2.9748887118948907e+01 1 0 0
|
||||
80 1 1 0.0000000000000000e+00 -1.3106945820932774e+00 4.5280541914610399e+00 1.4053361468839093e-01 0 0 0
|
||||
81 1 1 0.0000000000000000e+00 -1.3985544247147024e+00 4.9920110039699290e+00 1.4709160391500213e+00 0 0 0
|
||||
82 1 1 0.0000000000000000e+00 -1.2036449881300535e+00 4.1522264898445558e+00 2.5788783020817525e+00 0 0 0
|
||||
83 1 1 0.0000000000000000e+00 -1.2879118460464634e+00 6.8329651943513179e+00 3.0384285992998268e+00 0 0 0
|
||||
@ -184,7 +184,7 @@ Atoms # full
|
||||
108 1 1 0.0000000000000000e+00 -8.0371471005352468e+00 1.0001724968610375e+01 2.8181401427030522e+01 1 0 0
|
||||
109 1 1 0.0000000000000000e+00 -7.6069337400019199e+00 9.8068205981601455e+00 2.9511735439060804e+01 1 0 0
|
||||
110 1 1 0.0000000000000000e+00 -8.4053676418975733e+00 1.0131563331587166e+01 3.0619739562939113e+01 1 0 0
|
||||
111 1 1 0.0000000000000000e+00 -6.1645354164546085e+00 8.6577341497027724e+00 3.1079300395916825e+01 1 0 0
|
||||
111 1 1 0.0000000000000000e+00 -6.1645354164546067e+00 8.6577341497027724e+00 3.1079300395916825e+01 1 0 0
|
||||
112 1 1 0.0000000000000000e+00 -6.7782572554916323e+00 9.2632452574353117e+00 3.2187238781706512e+01 1 0 0
|
||||
113 1 1 0.0000000000000000e+00 -6.4287274697148984e+00 8.9458058139647907e+00 3.3517635609121506e+01 1 0 0
|
||||
114 1 1 0.0000000000000000e+00 -7.0907718397761235e+00 9.4978462767724814e+00 3.4625633615911795e+01 1 0 0
|
||||
@ -210,7 +210,7 @@ Atoms # full
|
||||
134 1 1 0.0000000000000000e+00 -5.3580711519815516e-01 8.4115327759934253e+00 1.8365072223236410e+01 0 0 0
|
||||
135 1 1 0.0000000000000000e+00 -9.7956865155557882e-01 7.6726430486769948e+00 1.9473080104907464e+01 0 0 0
|
||||
136 1 1 0.0000000000000000e+00 8.2779404422317349e-01 9.6537579718430173e+00 1.9932551868571721e+01 0 0 0
|
||||
137 1 1 0.0000000000000000e+00 1.3289492463049335e-01 9.1438431944481877e+00 2.1040552967317907e+01 0 0 0
|
||||
137 1 1 0.0000000000000000e+00 1.3289492463049157e-01 9.1438431944481877e+00 2.1040552967317907e+01 0 0 0
|
||||
138 1 1 0.0000000000000000e+00 5.0110540607630494e-01 9.4395530076081542e+00 2.2370915907097750e+01 0 0 0
|
||||
139 1 1 0.0000000000000000e+00 -1.4879966447895843e-01 8.8732108763001936e+00 2.3478903758543723e+01 0 0 0
|
||||
140 1 1 0.0000000000000000e+00 2.1780096295219380e+00 1.0207146786112165e+01 2.3938449210542583e+01 0 0 0
|
||||
@ -233,8 +233,8 @@ Atoms # full
|
||||
157 1 1 0.0000000000000000e+00 -6.2826995484642332e+00 8.7921105497454963e+00 4.1069775226228671e+01 1 0 0
|
||||
158 1 1 0.0000000000000000e+00 -5.9826692873690739e+00 8.4276197928350829e+00 4.2400176965815746e+01 1 0 0
|
||||
159 1 1 0.0000000000000000e+00 -6.5574938697644205e+00 9.0702438057236741e+00 4.3508067579837153e+01 1 0 0
|
||||
160 1 1 0.0000000000000000e+00 3.3450408761995458e+00 9.3780064006039454e-01 3.1468503141518800e-01 0 0 0
|
||||
161 1 1 0.0000000000000000e+00 7.6176361555523808e-01 1.6578717776153071e+00 7.7421683039926747e-01 0 0 0
|
||||
160 1 1 0.0000000000000000e+00 3.3450408761995458e+00 9.3780064006039454e-01 3.1468503141518794e-01 0 0 0
|
||||
161 1 1 0.0000000000000000e+00 7.6176361555523808e-01 1.6578717776153074e+00 7.7421683039926747e-01 0 0 0
|
||||
162 1 1 0.0000000000000000e+00 1.5305191900027930e+00 1.2681607132886130e+00 1.8821993938878587e+00 0 0 0
|
||||
163 1 1 0.0000000000000000e+00 1.1003052002420404e+00 1.4630655188557127e+00 3.2125333462371470e+00 0 0 0
|
||||
164 1 1 0.0000000000000000e+00 1.8987406195924565e+00 1.1383224570648482e+00 4.3205361237305935e+00 0 0 0
|
||||
@ -252,9 +252,9 @@ Atoms # full
|
||||
176 1 1 0.0000000000000000e+00 -1.1719174964341126e+00 4.0597524574945654e+00 1.6338055601749460e+01 0 0 0
|
||||
177 1 1 0.0000000000000000e+00 -1.3115636982299801e+00 6.7381832677007543e+00 1.6797613661916571e+01 0 0 0
|
||||
178 1 1 0.0000000000000000e+00 -1.4348189446746678e+00 5.8850836471136816e+00 1.7905617207980288e+01 0 0 0
|
||||
179 1 1 0.0000000000000000e+00 -1.3856413337306348e+00 6.3548181054048731e+00 1.9235953620125315e+01 0 0 0
|
||||
179 1 1 0.0000000000000000e+00 -1.3856413337306357e+00 6.3548181054048731e+00 1.9235953620125315e+01 0 0 0
|
||||
180 1 1 0.0000000000000000e+00 -1.4377080141650875e+00 5.4944994772728792e+00 2.0343939201844908e+01 0 0 0
|
||||
181 1 1 0.0000000000000000e+00 -7.5369118465012175e-01 8.0875428611414648e+00 2.0803463816466920e+01 0 0 0
|
||||
181 1 1 0.0000000000000000e+00 -7.5369118465012264e-01 8.0875428611414630e+00 2.0803463816466920e+01 0 0 0
|
||||
182 1 1 0.0000000000000000e+00 -1.1334846773424934e+00 7.3137464082683366e+00 2.1911441111883054e+01 0 0 0
|
||||
183 1 1 0.0000000000000000e+00 -9.4344233757725338e-01 7.7460009671042194e+00 2.3241831259372677e+01 0 0 0
|
||||
184 1 1 0.0000000000000000e+00 -1.2574292832934111e+00 6.9430511688103591e+00 2.4349729641619536e+01 0 0 0
|
||||
@ -284,8 +284,8 @@ Atoms # full
|
||||
208 1 1 0.0000000000000000e+00 -7.1719449035135687e+00 9.5522071744178483e+00 4.8384825488046879e+01 1 0 0
|
||||
209 1 1 0.0000000000000000e+00 -5.8605298381063795e+00 8.2549749207933640e+00 4.9952283453195626e+01 1 0 0
|
||||
210 1 1 0.0000000000000000e+00 -6.0921845342263552e+00 8.5693254649903015e+00 5.2390650462076870e+01 1 0 0
|
||||
211 1 1 0.0000000000000000e+00 4.7045911492300840e+00 1.1690045331469046e+00 7.7599253849889971e-02 0 0 0
|
||||
212 1 1 0.0000000000000000e+00 5.4957642939197209e+00 1.5109921996914486e+00 1.1856009541163379e+00 0 0 0
|
||||
211 1 1 0.0000000000000000e+00 4.7045911492300840e+00 1.1690045331469046e+00 7.7599253849889999e-02 0 0 0
|
||||
212 1 1 0.0000000000000000e+00 5.4957642939197209e+00 1.5109921996914482e+00 1.1856009541163379e+00 0 0 0
|
||||
213 1 1 0.0000000000000000e+00 2.8728805549060175e+00 9.5257618583069115e-01 1.6450685240303380e+00 0 0 0
|
||||
214 1 1 0.0000000000000000e+00 3.7347315496115172e+00 9.6205678265199968e-01 2.7530775099733464e+00 0 0 0
|
||||
215 1 1 0.0000000000000000e+00 3.2630567276097819e+00 9.3693332661258777e-01 4.0834603674265502e+00 0 0 0
|
||||
@ -293,11 +293,11 @@ Atoms # full
|
||||
217 1 1 0.0000000000000000e+00 1.4540771203919496e+00 1.2972557119521266e+00 5.6509142653636175e+00 0 0 0
|
||||
218 1 1 0.0000000000000000e+00 2.2770268219888044e+00 1.0404283410307060e+00 6.7588822176476615e+00 0 0 0
|
||||
219 1 1 0.0000000000000000e+00 1.8209042364032886e+00 1.1622538594832856e+00 8.0892938592627548e+00 0 0 0
|
||||
220 1 1 0.0000000000000000e+00 2.6624680268861818e+00 9.7476248943926325e-01 9.1971910424910597e+00 0 0 0
|
||||
220 1 1 0.0000000000000000e+00 2.6624680268861818e+00 9.7476248943926347e-01 9.1971910424910597e+00 0 0 0
|
||||
221 1 1 0.0000000000000000e+00 2.0970288107942103e-01 2.0598652088197817e+00 9.6567771361879036e+00 0 0 0
|
||||
222 1 1 0.0000000000000000e+00 9.1542299380445336e-01 1.5650603221085435e+00 1.0764771175304565e+01 0 0 0
|
||||
223 1 1 0.0000000000000000e+00 5.1840661051620351e-01 1.8208825574207197e+00 1.2095093662684938e+01 0 0 0
|
||||
224 1 1 0.0000000000000000e+00 1.2620844664397479e+00 1.3852132963586257e+00 1.3203066517621982e+01 0 0 0
|
||||
223 1 1 0.0000000000000000e+00 5.1840661051620351e-01 1.8208825574207197e+00 1.2095093662684937e+01 0 0 0
|
||||
224 1 1 0.0000000000000000e+00 1.2620844664397470e+00 1.3852132963586259e+00 1.3203066517621982e+01 0 0 0
|
||||
225 1 1 0.0000000000000000e+00 -7.4340446359865231e-01 3.1657954709279115e+00 1.3662648054248740e+01 0 0 0
|
||||
226 1 1 0.0000000000000000e+00 -2.2392710223515566e-01 2.4777777943159593e+00 1.4770568271161796e+01 0 0 0
|
||||
227 1 1 0.0000000000000000e+00 -5.2395696027562177e-01 2.8422686355288729e+00 1.6100970137878253e+01 0 0 0
|
||||
@ -305,10 +305,10 @@ Atoms # full
|
||||
229 1 1 0.0000000000000000e+00 -1.3069922535637124e+00 4.5121083132048048e+00 1.7668468908793312e+01 0 0 0
|
||||
230 1 1 0.0000000000000000e+00 -1.0259229725529586e+00 3.6970102602189123e+00 1.8776356956882964e+01 0 0 0
|
||||
231 1 1 0.0000000000000000e+00 -1.1980440538100972e+00 4.1366233667171466e+00 2.0106755699766548e+01 0 0 0
|
||||
232 1 1 0.0000000000000000e+00 -8.5032234977061893e-01 3.3477911008127128e+00 2.1214691234534417e+01 0 0 0
|
||||
233 1 1 0.0000000000000000e+00 -1.4279202394741533e+00 5.9666881847884907e+00 2.1674260622643732e+01 0 0 0
|
||||
232 1 1 0.0000000000000000e+00 -8.5032234977061893e-01 3.3477911008127137e+00 2.1214691234534417e+01 0 0 0
|
||||
233 1 1 0.0000000000000000e+00 -1.4279202394741524e+00 5.9666881847884907e+00 2.1674260622643732e+01 0 0 0
|
||||
234 1 1 0.0000000000000000e+00 -1.4101893179259042e+00 5.1049759475495389e+00 2.2782235166322291e+01 0 0 0
|
||||
235 1 1 0.0000000000000000e+00 -1.4401939450661114e+00 5.5763260128325376e+00 2.4112559745449655e+01 0 0 0
|
||||
235 1 1 0.0000000000000000e+00 -1.4401939450661105e+00 5.5763260128325376e+00 2.4112559745449655e+01 0 0 0
|
||||
236 1 1 0.0000000000000000e+00 -1.3519914229231009e+00 4.7189416699574309e+00 2.5220559290876579e+01 0 0 0
|
||||
237 1 1 0.0000000000000000e+00 -1.1040929952460612e+00 7.3895356258996596e+00 2.5680138409124453e+01 0 0 0
|
||||
238 1 1 0.0000000000000000e+00 -1.3504243323630778e+00 6.5632878436583031e+00 2.6788046703931538e+01 0 0 0
|
||||
@ -337,19 +337,19 @@ Atoms # full
|
||||
261 1 1 0.0000000000000000e+00 -6.7916513207684641e+00 9.2721319366004060e+00 4.9715163479270117e+01 1 0 0
|
||||
262 1 1 0.0000000000000000e+00 -7.5074126638392000e+00 9.7522845373837335e+00 5.0823150965635008e+01 1 0 0
|
||||
263 1 1 0.0000000000000000e+00 -7.1051068832462949e+00 9.5048765840675600e+00 5.2153471929637682e+01 1 0 0
|
||||
264 1 1 0.0000000000000000e+00 6.5987257899982170e+00 2.3385437101424982e+00 9.4843798018289094e-01 0 0 0
|
||||
264 1 1 0.0000000000000000e+00 6.5987257899982170e+00 2.3385437101424973e+00 9.4843798018289094e-01 0 0 0
|
||||
265 1 1 0.0000000000000000e+00 7.1458538655738275e+00 3.0048759059489338e+00 2.0563286046154352e+00 0 0 0
|
||||
266 1 1 0.0000000000000000e+00 5.0698459713376822e+00 1.3068636709648300e+00 2.5159287943794042e+00 0 0 0
|
||||
267 1 1 0.0000000000000000e+00 5.8301981655934201e+00 1.7127285704029320e+00 3.6239045584845631e+00 0 0 0
|
||||
266 1 1 0.0000000000000000e+00 5.0698459713376822e+00 1.3068636709648300e+00 2.5159287943794046e+00 0 0 0
|
||||
267 1 1 0.0000000000000000e+00 5.8301981655934201e+00 1.7127285704029322e+00 3.6239045584845639e+00 0 0 0
|
||||
268 1 1 0.0000000000000000e+00 5.4229558849444315e+00 1.4735430934421032e+00 4.9542236639945836e+00 0 0 0
|
||||
269 1 1 0.0000000000000000e+00 6.1480187612638355e+00 1.9395302681596769e+00 6.0622038707321337e+00 0 0 0
|
||||
270 1 1 0.0000000000000000e+00 3.6535030477572290e+00 9.5433214082998485e-01 6.5218033683485723e+00 0 0 0
|
||||
271 1 1 0.0000000000000000e+00 4.5019939567984579e+00 1.1074220877493381e+00 7.6296914348273575e+00 0 0 0
|
||||
272 1 1 0.0000000000000000e+00 4.0413292337116582e+00 1.0042059989579337e+00 8.9601034166508633e+00 0 0 0
|
||||
272 1 1 0.0000000000000000e+00 4.0413292337116564e+00 1.0042059989579333e+00 8.9601034166508633e+00 0 0 0
|
||||
273 1 1 0.0000000000000000e+00 4.8741558185629019e+00 1.2271751800344608e+00 1.0068033980258502e+01 0 0 0
|
||||
274 1 1 0.0000000000000000e+00 2.1978548881168285e+00 1.0584230922846269e+00 1.0527595291454910e+01 0 0 0
|
||||
275 1 1 0.0000000000000000e+00 3.0520042773335119e+00 9.4137203101793088e-01 1.1635503633128341e+01 0 0 0
|
||||
276 1 1 0.0000000000000000e+00 2.5818878299068837e+00 9.8596252009188357e-01 1.2965891563397793e+01 0 0 0
|
||||
276 1 1 0.0000000000000000e+00 2.5818878299068837e+00 9.8596252009188368e-01 1.2965891563397793e+01 0 0 0
|
||||
277 1 1 0.0000000000000000e+00 3.4426496933063024e+00 9.4075188961954759e-01 1.4073881176083557e+01 0 0 0
|
||||
278 1 1 0.0000000000000000e+00 8.4492058654301694e-01 1.6066560746465373e+00 1.4533388102031367e+01 0 0 0
|
||||
279 1 1 0.0000000000000000e+00 1.6215066794072852e+00 1.2327879739738854e+00 1.5641378211588185e+01 0 0 0
|
||||
@ -359,10 +359,10 @@ Atoms # full
|
||||
283 1 1 0.0000000000000000e+00 3.4786667782875114e-01 1.9454810464407357e+00 1.9647232228197524e+01 0 0 0
|
||||
284 1 1 0.0000000000000000e+00 -8.1257983306590731e-03 2.2556992025382292e+00 2.0977619025766629e+01 0 0 0
|
||||
285 1 1 0.0000000000000000e+00 6.6531883636743760e-01 1.7176827385052371e+00 2.2085622104337645e+01 0 0 0
|
||||
286 1 1 0.0000000000000000e+00 -1.0587842067634408e+00 3.7716042734836766e+00 2.2545076518151525e+01 0 0 0
|
||||
286 1 1 0.0000000000000000e+00 -1.0587842067634416e+00 3.7716042734836766e+00 2.2545076518151525e+01 0 0 0
|
||||
287 1 1 0.0000000000000000e+00 -6.4609530037407570e-01 3.0149148385995614e+00 2.3653082266999618e+01 0 0 0
|
||||
288 1 1 0.0000000000000000e+00 -8.8963083617048788e-01 3.4197126066961685e+00 2.4983465813123452e+01 0 0 0
|
||||
289 1 1 0.0000000000000000e+00 -4.1444076442886191e-01 2.7005644412985852e+00 2.6091449422559577e+01 0 0 0
|
||||
289 1 1 0.0000000000000000e+00 -4.1444076442886280e-01 2.7005644412985852e+00 2.6091449422559577e+01 0 0 0
|
||||
290 1 1 0.0000000000000000e+00 -1.4207922023541135e+00 5.1861660985425901e+00 2.6550918141518803e+01 0 0 0
|
||||
291 1 1 0.0000000000000000e+00 -1.2611916789893072e+00 4.3390383332949751e+00 2.7658909989314107e+01 0 0 0
|
||||
292 1 1 0.0000000000000000e+00 -1.3680139291318323e+00 4.7989413111544206e+00 2.8989312731491445e+01 0 0 0
|
||||
@ -380,17 +380,17 @@ Atoms # full
|
||||
304 1 1 0.0000000000000000e+00 -1.5998550859247729e-01 8.8610253653703612e+00 4.1006812997118438e+01 0 0 0
|
||||
305 1 1 0.0000000000000000e+00 -6.9314426692323217e-01 8.1835032521504409e+00 4.2114715952077788e+01 0 0 0
|
||||
306 1 1 0.0000000000000000e+00 1.3473748575404683e+00 9.9239178776203119e+00 4.2574309223832543e+01 0 0 0
|
||||
307 1 1 0.0000000000000000e+00 5.9538469418674911e-01 9.5027578969509285e+00 4.3682281230915272e+01 0 0 0
|
||||
307 1 1 0.0000000000000000e+00 5.9538469418674822e-01 9.5027578969509285e+00 4.3682281230915272e+01 0 0 0
|
||||
308 1 1 0.0000000000000000e+00 9.9748957772200697e-01 9.7504916472257310e+00 4.5012601890423149e+01 0 0 0
|
||||
309 1 1 0.0000000000000000e+00 2.8210678138596013e-01 9.2697750547831372e+00 4.6120590309011419e+01 0 0 0
|
||||
310 1 1 0.0000000000000000e+00 2.7558505470828338e+00 1.0306112710613721e+01 4.6580185284281647e+01 0 0 0
|
||||
311 1 1 0.0000000000000000e+00 1.9107090510076796e+00 1.0135453364375302e+01 4.7688073861361694e+01 0 0 0
|
||||
312 1 1 0.0000000000000000e+00 2.3691489754089101e+00 1.0248183869928637e+01 4.9018485269377990e+01 0 0 0
|
||||
312 1 1 0.0000000000000000e+00 2.3691489754089119e+00 1.0248183869928637e+01 4.9018485269377990e+01 0 0 0
|
||||
313 1 1 0.0000000000000000e+00 1.5411779725253369e+00 1.0007916870457182e+01 5.0126435102414582e+01 0 0 0
|
||||
314 1 1 0.0000000000000000e+00 -8.7999459787796184e+00 1.0232528959379724e+01 5.0585969511950495e+01 1 0 0
|
||||
315 1 1 0.0000000000000000e+00 3.3569977061564895e+00 1.0331768231870587e+01 5.1693896679479856e+01 0 0 0
|
||||
316 1 1 0.0000000000000000e+00 -5.1562001577835721e+00 4.7066000693862202e+00 4.8884595686846838e-01 1 0 0
|
||||
317 1 1 0.0000000000000000e+00 -5.2721105456269868e+00 4.2489243362032374e+00 1.8192542484329031e+00 1 0 0
|
||||
316 1 1 0.0000000000000000e+00 -5.1562001577835712e+00 4.7066000693862202e+00 4.8884595686846799e-01 1 0 0
|
||||
317 1 1 0.0000000000000000e+00 -5.2721105456269877e+00 4.2489243362032374e+00 1.8192542484329028e+00 1 0 0
|
||||
318 1 1 0.0000000000000000e+00 -5.0954801957074105e+00 5.0927037967250737e+00 2.9272333304671361e+00 1 0 0
|
||||
319 1 1 0.0000000000000000e+00 6.8615589748450150e+00 2.6279036626597061e+00 3.3867209927162767e+00 0 0 0
|
||||
320 1 1 0.0000000000000000e+00 7.3512107864368916e+00 3.3373385228488659e+00 4.4946842830575759e+00 0 0 0
|
||||
@ -410,13 +410,13 @@ Atoms # full
|
||||
334 1 1 0.0000000000000000e+00 4.2170282461320809e+00 1.0381342848398663e+00 1.8950579126947439e+01 0 0 0
|
||||
335 1 1 0.0000000000000000e+00 1.5446737971380049e+00 1.2606006975507444e+00 1.9410113481464599e+01 0 0 0
|
||||
336 1 1 0.0000000000000000e+00 2.3728376409577310e+00 1.0209968979812283e+00 2.0518063930504514e+01 0 0 0
|
||||
337 1 1 0.0000000000000000e+00 1.9143090565216134e+00 1.1333628241376676e+00 2.1848477484995691e+01 0 0 0
|
||||
337 1 1 0.0000000000000000e+00 1.9143090565216134e+00 1.1333628241376679e+00 2.1848477484995691e+01 0 0 0
|
||||
338 1 1 0.0000000000000000e+00 2.7595855690585891e+00 9.6337749713353682e-01 2.2956366822453194e+01 0 0 0
|
||||
339 1 1 0.0000000000000000e+00 2.8502548103624914e-01 1.9977581399015054e+00 2.3415961611421281e+01 0 0 0
|
||||
339 1 1 0.0000000000000000e+00 2.8502548103625003e-01 1.9977581399015056e+00 2.3415961611421281e+01 0 0 0
|
||||
340 1 1 0.0000000000000000e+00 1.0007865629304362e+00 1.5176058451453456e+00 2.4523949595239166e+01 0 0 0
|
||||
341 1 1 0.0000000000000000e+00 5.9848148467405693e-01 1.7650133067383251e+00 2.5854271184406716e+01 0 0 0
|
||||
342 1 1 0.0000000000000000e+00 1.3507971109474317e+00 1.3444369892692807e+00 2.6962244855417737e+01 0 0 0
|
||||
343 1 1 0.0000000000000000e+00 -6.9110163288975812e-01 3.0832341142642661e+00 2.7421838616809353e+01 0 0 0
|
||||
342 1 1 0.0000000000000000e+00 1.3507971109474317e+00 1.3444369892692802e+00 2.6962244855417737e+01 0 0 0
|
||||
343 1 1 0.0000000000000000e+00 -6.9110163288975901e-01 3.0832341142642665e+00 2.7421838616809353e+01 0 0 0
|
||||
344 1 1 0.0000000000000000e+00 -1.5740185388739203e-01 2.4061368055703971e+00 2.8529741617498594e+01 0 0 0
|
||||
345 1 1 0.0000000000000000e+00 -4.6493147736079132e-01 2.7643083589544726e+00 2.9860148838358690e+01 0 0 0
|
||||
346 1 1 0.0000000000000000e+00 1.2310491401937051e-01 2.1337637616312692e+00 3.0968051934037078e+01 0 0 0
|
||||
@ -432,7 +432,7 @@ Atoms # full
|
||||
356 1 1 0.0000000000000000e+00 -1.3686788941845807e+00 6.4672509673954597e+00 4.0547242861912245e+01 0 0 0
|
||||
357 1 1 0.0000000000000000e+00 -1.2622202772990447e+00 6.9272395998997673e+00 4.1877645094672395e+01 0 0 0
|
||||
358 1 1 0.0000000000000000e+00 -1.4211386458295006e+00 6.0799844559140563e+00 4.2985636204959945e+01 0 0 0
|
||||
359 1 1 0.0000000000000000e+00 -4.1679077370028406e-01 8.5663985195030108e+00 4.3445103777866869e+01 0 0 0
|
||||
359 1 1 0.0000000000000000e+00 -4.1679077370028228e-01 8.5663985195030108e+00 4.3445103777866869e+01 0 0 0
|
||||
360 1 1 0.0000000000000000e+00 -8.9139891744991129e-01 7.8468667615580454e+00 4.4553086995692802e+01 0 0 0
|
||||
361 1 1 0.0000000000000000e+00 -6.4819159887165689e-01 8.2518631194600403e+00 4.5883470489774737e+01 0 0 0
|
||||
362 1 1 0.0000000000000000e+00 -1.0602655068121090e+00 7.4948377857971913e+00 4.6991475414318778e+01 0 0 0
|
||||
@ -440,10 +440,10 @@ Atoms # full
|
||||
364 1 1 0.0000000000000000e+00 -1.0834504499662501e-02 9.0115914819955876e+00 4.8558931387387332e+01 0 0 0
|
||||
365 1 1 0.0000000000000000e+00 3.4491289038196449e-01 9.3220894039430178e+00 4.9889316847027267e+01 0 0 0
|
||||
366 1 1 0.0000000000000000e+00 -2.8080385240385208e-01 8.7290249849875838e+00 5.0997273256026027e+01 0 0 0
|
||||
367 1 1 0.0000000000000000e+00 1.9888593226869418e+00 1.0158046869886189e+01 5.1456826131141689e+01 0 0 0
|
||||
367 1 1 0.0000000000000000e+00 1.9888593226869400e+00 1.0158046869886189e+01 5.1456826131141689e+01 0 0 0
|
||||
368 1 1 0.0000000000000000e+00 1.1840128135907007e+00 9.8494474393103637e+00 5.2564827453786890e+01 0 0 0
|
||||
369 1 1 0.0000000000000000e+00 -5.0858324029421489e+00 6.0837218744602382e+00 2.5171709837997241e-01 1 0 0
|
||||
370 1 1 0.0000000000000000e+00 -5.2454330970015999e+00 6.9308511817882579e+00 1.3597081406476341e+00 1 0 0
|
||||
369 1 1 0.0000000000000000e+00 -5.0858324029421489e+00 6.0837218744602382e+00 2.5171709837997236e-01 1 0 0
|
||||
370 1 1 0.0000000000000000e+00 -5.2454330970015999e+00 6.9308511817882579e+00 1.3597081406476339e+00 1 0 0
|
||||
371 1 1 0.0000000000000000e+00 -5.1386106307656831e+00 6.4709469215921676e+00 2.6901115487009806e+00 1 0 0
|
||||
372 1 1 0.0000000000000000e+00 -5.3683671787321332e+00 7.3019363087914098e+00 3.7980354472203377e+00 1 0 0
|
||||
373 1 1 0.0000000000000000e+00 -5.1734610688345999e+00 4.6269521241162774e+00 4.2576026580832513e+00 1 0 0
|
||||
@ -476,14 +476,14 @@ Atoms # full
|
||||
400 1 1 0.0000000000000000e+00 2.0867948452261622e+00 1.0853399391592722e+00 3.1838915710725136e+01 0 0 0
|
||||
401 1 1 0.0000000000000000e+00 -2.1302045181549989e-01 2.4652983485741249e+00 3.2298462239125293e+01 0 0 0
|
||||
402 1 1 0.0000000000000000e+00 4.2538374183264693e-01 1.8859685900717302e+00 3.3406436795112910e+01 0 0 0
|
||||
403 1 1 0.0000000000000000e+00 6.3087208616032786e-02 2.1888499682214171e+00 3.4736811729737248e+01 0 0 0
|
||||
404 1 1 0.0000000000000000e+00 7.4762714734260971e-01 1.6650740108956772e+00 3.5844815453987593e+01 0 0 0
|
||||
405 1 1 0.0000000000000000e+00 -1.0193026606028401e+00 3.6823025401165048e+00 3.6304274431754060e+01 0 0 0
|
||||
403 1 1 0.0000000000000000e+00 6.3087208616031898e-02 2.1888499682214171e+00 3.4736811729737248e+01 0 0 0
|
||||
404 1 1 0.0000000000000000e+00 7.4762714734260971e-01 1.6650740108956776e+00 3.5844815453987593e+01 0 0 0
|
||||
405 1 1 0.0000000000000000e+00 -1.0193026606028406e+00 3.6823025401165057e+00 3.6304274431754060e+01 0 0 0
|
||||
406 1 1 0.0000000000000000e+00 -5.9068644039141560e-01 2.9345314549512667e+00 3.7412284144810229e+01 0 0 0
|
||||
407 1 1 0.0000000000000000e+00 -8.4269982132862786e-01 3.3340667665984958e+00 3.8742667979778602e+01 0 0 0
|
||||
408 1 1 0.0000000000000000e+00 -3.5247616906570478e-01 2.6250264121148894e+00 3.9850631610874075e+01 0 0 0
|
||||
409 1 1 0.0000000000000000e+00 -1.4107197991586422e+00 5.0889746914176728e+00 4.0310120536730160e+01 0 0 0
|
||||
410 1 1 0.0000000000000000e+00 -1.2334111231830249e+00 4.2453361067270619e+00 4.1418099404027302e+01 0 0 0
|
||||
410 1 1 0.0000000000000000e+00 -1.2334111231830258e+00 4.2453361067270619e+00 4.1418099404027302e+01 0 0 0
|
||||
411 1 1 0.0000000000000000e+00 -1.3496841802260167e+00 4.7029189270604412e+00 4.2748507649533273e+01 0 0 0
|
||||
412 1 1 0.0000000000000000e+00 -1.1026932079404221e+00 3.8768664486745537e+00 4.3856413668313920e+01 0 0 0
|
||||
413 1 1 0.0000000000000000e+00 -1.3527056111643527e+00 6.5472644615505429e+00 4.4315993116665616e+01 0 0 0
|
||||
@ -493,7 +493,7 @@ Atoms # full
|
||||
417 1 1 0.0000000000000000e+00 -8.5214788701609034e-01 7.9188183995595711e+00 4.8321859421194958e+01 0 0 0
|
||||
418 1 1 0.0000000000000000e+00 -1.1992387816899326e+00 7.1297046002276891e+00 4.9429792729174473e+01 0 0 0
|
||||
419 1 1 0.0000000000000000e+00 -1.0274698277880336e+00 7.5694551004783097e+00 5.0760191609523602e+01 0 0 0
|
||||
420 1 1 0.0000000000000000e+00 -1.3078894341785787e+00 6.7541323516759535e+00 5.1868078885098825e+01 0 0 0
|
||||
420 1 1 0.0000000000000000e+00 -1.3078894341785796e+00 6.7541323516759544e+00 5.1868078885098825e+01 0 0 0
|
||||
421 1 1 0.0000000000000000e+00 4.8118658568730766e-02 9.0676834349470603e+00 5.2327686179666728e+01 0 0 0
|
||||
422 1 1 0.0000000000000000e+00 -5.2239586999068699e+00 6.8524817499813082e+00 5.1284452014898969e+00 1 0 0
|
||||
423 1 1 0.0000000000000000e+00 -5.5218699999922833e+00 7.6615621336413087e+00 6.2363334378586863e+00 1 0 0
|
||||
@ -512,7 +512,7 @@ Atoms # full
|
||||
436 1 1 0.0000000000000000e+00 7.5669366416499555e+00 3.7750512084733998e+00 2.0692270650390416e+01 0 0 0
|
||||
437 1 1 0.0000000000000000e+00 5.8444936484241170e+00 1.7197384221810137e+00 2.1151725090655422e+01 0 0 0
|
||||
438 1 1 0.0000000000000000e+00 6.5175057264618212e+00 2.2582979609796547e+00 2.2259728076918311e+01 0 0 0
|
||||
439 1 1 0.0000000000000000e+00 6.1617584469268243e+00 1.9478004885337064e+00 2.3590115261478999e+01 0 0 0
|
||||
439 1 1 0.0000000000000000e+00 6.1617584469268225e+00 1.9478004885337064e+00 2.3590115261478999e+01 0 0 0
|
||||
440 1 1 0.0000000000000000e+00 6.7874748072920896e+00 2.5408648868096053e+00 2.4698072033699130e+01 0 0 0
|
||||
441 1 1 0.0000000000000000e+00 4.5178134541867800e+00 1.1118439337028978e+00 2.5157624450860766e+01 0 0 0
|
||||
442 1 1 0.0000000000000000e+00 5.3226586503945077e+00 1.4204426201632796e+00 2.6265626501809827e+01 0 0 0
|
||||
@ -524,7 +524,7 @@ Atoms # full
|
||||
448 1 1 0.0000000000000000e+00 4.3124763880567869e+00 1.0592723333960976e+00 3.2709753275972609e+01 0 0 0
|
||||
449 1 1 0.0000000000000000e+00 1.6360413688177395e+00 1.2258782629651792e+00 3.3169315777627766e+01 0 0 0
|
||||
450 1 1 0.0000000000000000e+00 2.4690462570919234e+00 1.0035753519287589e+00 3.4277246999799125e+01 0 0 0
|
||||
451 1 1 0.0000000000000000e+00 2.0083001227300663e+00 1.1064250240623170e+00 3.5607659640534642e+01 0 0 0
|
||||
451 1 1 0.0000000000000000e+00 2.0083001227300663e+00 1.1064250240623170e+00 3.5607659640534635e+01 0 0 0
|
||||
452 1 1 0.0000000000000000e+00 2.8569119475839306e+00 9.5401137725022978e-01 3.6715547255414002e+01 0 0 0
|
||||
453 1 1 0.0000000000000000e+00 3.6162025026767575e-01 1.9372357546500203e+00 3.7175146258905251e+01 0 0 0
|
||||
454 1 1 0.0000000000000000e+00 1.0870470786159734e+00 1.4718159438334457e+00 3.8283126811909113e+01 0 0 0
|
||||
@ -534,13 +534,13 @@ Atoms # full
|
||||
458 1 1 0.0000000000000000e+00 -8.9413149279690352e-02 2.3358709661695856e+00 4.2288914747908279e+01 0 0 0
|
||||
459 1 1 0.0000000000000000e+00 -4.0430364437218946e-01 2.6875892965851986e+00 4.3619324678418778e+01 0 0 0
|
||||
460 1 1 0.0000000000000000e+00 1.9669970760653355e-01 2.0694156037371569e+00 4.4727243448539852e+01 0 0 0
|
||||
461 1 1 0.0000000000000000e+00 -1.2563856805498848e+00 4.3232288580060860e+00 4.5186821910236660e+01 0 0 0
|
||||
461 1 1 0.0000000000000000e+00 -1.2563856805498856e+00 4.3232288580060860e+00 4.5186821910236660e+01 0 0 0
|
||||
462 1 1 0.0000000000000000e+00 -9.4175889068341645e-01 3.5205307136995585e+00 4.6294720798265921e+01 0 0 0
|
||||
463 1 1 0.0000000000000000e+00 -1.1321506487584792e+00 3.9526341850712292e+00 4.7625109985326503e+01 0 0 0
|
||||
464 1 1 0.0000000000000000e+00 -7.5173230713878247e-01 3.1791452307227033e+00 4.8733086409130422e+01 0 0 0
|
||||
464 1 1 0.0000000000000000e+00 -7.5173230713878203e-01 3.1791452307227037e+00 4.8733086409130422e+01 0 0 0
|
||||
465 1 1 0.0000000000000000e+00 -1.4378303412209954e+00 5.7716390296583464e+00 4.9192609643252432e+01 0 0 0
|
||||
466 1 1 0.0000000000000000e+00 -1.3850870798315182e+00 4.9113611577623155e+00 5.0300594626267980e+01 0 0 0
|
||||
467 1 1 0.0000000000000000e+00 -1.4346369483125025e+00 5.3810565648183930e+00 5.1630931322196034e+01 0 0 0
|
||||
467 1 1 0.0000000000000000e+00 -1.4346369483125034e+00 5.3810565648183948e+00 5.1630931322196034e+01 0 0 0
|
||||
468 1 1 0.0000000000000000e+00 -5.4873235750527352e+00 7.5875858884970295e+00 1.0005067988458277e+01 1 0 0
|
||||
469 1 1 0.0000000000000000e+00 -5.6639270543265887e+00 7.9358214184796569e+00 1.2443461064438408e+01 1 0 0
|
||||
470 1 1 0.0000000000000000e+00 -5.0959075163595271e+00 6.1809132231903821e+00 1.4010913776557018e+01 1 0 0
|
||||
@ -559,10 +559,10 @@ Atoms # full
|
||||
483 1 1 0.0000000000000000e+00 7.0328643399744033e+00 2.8452880241363863e+00 2.7136377130614147e+01 0 0 0
|
||||
484 1 1 0.0000000000000000e+00 6.7331253997428080e+00 2.4805573586865077e+00 2.8466779222379500e+01 0 0 0
|
||||
485 1 1 0.0000000000000000e+00 7.2520507492555675e+00 3.1689888881784491e+00 2.9574700619472303e+01 0 0 0
|
||||
486 1 1 0.0000000000000000e+00 5.2479803489443713e+00 1.3868146542834072e+00 3.0034281693687380e+01 0 0 0
|
||||
486 1 1 0.0000000000000000e+00 5.2479803489443730e+00 1.3868146542834074e+00 3.0034281693687380e+01 0 0 0
|
||||
487 1 1 0.0000000000000000e+00 5.9913199605024099e+00 1.8230600407636248e+00 3.1142254577326366e+01 0 0 0
|
||||
488 1 1 0.0000000000000000e+00 5.5945099416267441e+00 1.5669178600071052e+00 3.2472577308569690e+01 0 0 0
|
||||
489 1 1 0.0000000000000000e+00 6.2998363763323644e+00 2.0622834292472545e+00 3.3580572641223299e+01 0 0 0
|
||||
488 1 1 0.0000000000000000e+00 5.5945099416267441e+00 1.5669178600071054e+00 3.2472577308569690e+01 0 0 0
|
||||
489 1 1 0.0000000000000000e+00 6.2998363763323644e+00 2.0622834292472545e+00 3.3580572641223306e+01 0 0 0
|
||||
490 1 1 0.0000000000000000e+00 3.8479310609979391e+00 9.7524140477531784e-01 3.4040158887604981e+01 0 0 0
|
||||
491 1 1 0.0000000000000000e+00 4.6893437182543938e+00 1.1634038755920253e+00 3.5148057346737787e+01 0 0 0
|
||||
492 1 1 0.0000000000000000e+00 4.2333173299628832e+00 1.0412163598591255e+00 3.6478468519437882e+01 0 0 0
|
||||
@ -576,12 +576,12 @@ Atoms # full
|
||||
500 1 1 0.0000000000000000e+00 1.3642993138314834e+00 1.3358448776455414e+00 4.4490119286225791e+01 0 0 0
|
||||
501 1 1 0.0000000000000000e+00 2.1816629069890272e+00 1.0618751028361539e+00 4.5598102847144332e+01 0 0 0
|
||||
502 1 1 0.0000000000000000e+00 -1.4620696358238083e-01 2.3939621555664790e+00 4.6057648935536861e+01 0 0 0
|
||||
503 1 1 0.0000000000000000e+00 5.0415305768688423e-01 1.8281436931176878e+00 4.7165636501843373e+01 0 0 0
|
||||
504 1 1 0.0000000000000000e+00 1.3570863272544109e-01 2.1235650425752031e+00 4.8495996834073459e+01 0 0 0
|
||||
505 1 1 0.0000000000000000e+00 8.3101528781494416e-01 1.6142062430878765e+00 4.9603996504938699e+01 0 0 0
|
||||
503 1 1 0.0000000000000000e+00 5.0415305768688512e-01 1.8281436931176882e+00 4.7165636501843373e+01 0 0 0
|
||||
504 1 1 0.0000000000000000e+00 1.3570863272544109e-01 2.1235650425752040e+00 4.8495996834073459e+01 0 0 0
|
||||
505 1 1 0.0000000000000000e+00 8.3101528781494327e-01 1.6142062430878767e+00 4.9603996504938699e+01 0 0 0
|
||||
506 1 1 0.0000000000000000e+00 -9.7794755014346446e-01 3.5938632022713537e+00 5.0063469153586063e+01 0 0 0
|
||||
507 1 1 0.0000000000000000e+00 -5.3358457476994126e-01 2.8553337212219820e+00 5.1171476320828837e+01 0 0 0
|
||||
508 1 1 0.0000000000000000e+00 -7.9394918968269135e-01 3.2494164645752313e+00 5.2501860268148690e+01 0 0 0
|
||||
508 1 1 0.0000000000000000e+00 -7.9394918968269046e-01 3.2494164645752313e+00 5.2501860268148690e+01 0 0 0
|
||||
509 1 1 0.0000000000000000e+00 -5.2502429873387610e+00 6.9466586665253853e+00 1.8887616728606812e+01 1 0 0
|
||||
510 1 1 0.0000000000000000e+00 -5.5648699437021367e+00 7.7493565870770462e+00 1.9995515590917083e+01 1 0 0
|
||||
511 1 1 0.0000000000000000e+00 -5.3744784580368155e+00 7.3172534156511029e+00 2.1325905623385960e+01 1 0 0
|
||||
@ -591,10 +591,10 @@ Atoms # full
|
||||
515 1 1 0.0000000000000000e+00 -5.1959347840815999e+00 6.7418329012936518e+00 2.6439733826422970e+01 1 0 0
|
||||
516 1 1 0.0000000000000000e+00 -5.3334555141220505e+00 4.0632929556517947e+00 2.6899291604105077e+01 1 0 0
|
||||
517 1 1 0.0000000000000000e+00 -5.1217316070295471e+00 4.8990286532348915e+00 2.8007236486872021e+01 1 0 0
|
||||
518 1 1 0.0000000000000000e+00 -5.2187176292998165e+00 4.4369234675491906e+00 2.9337630173587897e+01 1 0 0
|
||||
518 1 1 0.0000000000000000e+00 -5.2187176292998165e+00 4.4369234675491915e+00 2.9337630173587897e+01 1 0 0
|
||||
519 1 1 0.0000000000000000e+00 -5.0776004713120804e+00 5.2872856539835160e+00 3.0445630369373522e+01 1 0 0
|
||||
520 1 1 0.0000000000000000e+00 6.9837820350055653e+00 2.7803146344660528e+00 3.0905086942463637e+01 0 0 0
|
||||
521 1 1 0.0000000000000000e+00 7.4430869286606720e+00 3.5096683983964230e+00 3.2013085980975632e+01 0 0 0
|
||||
521 1 1 0.0000000000000000e+00 7.4430869286606720e+00 3.5096683983964221e+00 3.2013085980975632e+01 0 0 0
|
||||
522 1 1 0.0000000000000000e+00 7.2084862853089087e+00 3.0996171053501933e+00 3.3343469354133184e+01 0 0 0
|
||||
523 1 1 0.0000000000000000e+00 -5.4088200079632136e+00 3.8652060060119453e+00 3.4451463552356039e+01 1 0 0
|
||||
524 1 1 0.0000000000000000e+00 5.9256231800074213e+00 1.7741647447870692e+00 3.4910923354328055e+01 0 0 0
|
||||
@ -608,19 +608,19 @@ Atoms # full
|
||||
532 1 1 0.0000000000000000e+00 3.1653831477313847e+00 9.3772979645210841e-01 4.2922668622772591e+01 0 0 0
|
||||
533 1 1 0.0000000000000000e+00 4.0249955270921616e+00 1.0017412380735911e+00 4.4030638148860632e+01 0 0 0
|
||||
534 1 1 0.0000000000000000e+00 3.5560198067445983e+00 9.4691600142337684e-01 4.5361029079891267e+01 0 0 0
|
||||
535 1 1 0.0000000000000000e+00 4.4074817447343646e+00 1.0823668194912457e+00 4.6468923181537065e+01 0 0 0
|
||||
536 1 1 0.0000000000000000e+00 1.7281329786005344e+00 1.1930942749544475e+00 4.6928510221602302e+01 0 0 0
|
||||
537 1 1 0.0000000000000000e+00 2.5656053793726867e+00 9.8816225417319392e-01 4.8036421608195553e+01 0 0 0
|
||||
538 1 1 0.0000000000000000e+00 2.1028317522452085e+00 1.0814430790594589e+00 4.9366830027306662e+01 0 0 0
|
||||
539 1 1 0.0000000000000000e+00 2.9544006417142228e+00 9.4667113712971196e-01 5.0474724529493763e+01 0 0 0
|
||||
540 1 1 0.0000000000000000e+00 4.3943355835867504e-01 1.8782831224002055e+00 5.0934322513675994e+01 0 0 0
|
||||
541 1 1 0.0000000000000000e+00 1.1741585939976247e+00 1.4276811941624006e+00 5.2042297233047535e+01 0 0 0
|
||||
535 1 1 0.0000000000000000e+00 4.4074817447343646e+00 1.0823668194912459e+00 4.6468923181537065e+01 0 0 0
|
||||
536 1 1 0.0000000000000000e+00 1.7281329786005335e+00 1.1930942749544480e+00 4.6928510221602302e+01 0 0 0
|
||||
537 1 1 0.0000000000000000e+00 2.5656053793726858e+00 9.8816225417319403e-01 4.8036421608195553e+01 0 0 0
|
||||
538 1 1 0.0000000000000000e+00 2.1028317522452076e+00 1.0814430790594594e+00 4.9366830027306662e+01 0 0 0
|
||||
539 1 1 0.0000000000000000e+00 2.9544006417142228e+00 9.4667113712971207e-01 5.0474724529493763e+01 0 0 0
|
||||
540 1 1 0.0000000000000000e+00 4.3943355835867504e-01 1.8782831224002057e+00 5.0934322513675994e+01 0 0 0
|
||||
541 1 1 0.0000000000000000e+00 1.1741585939976247e+00 1.4276811941624008e+00 5.2042297233047535e+01 0 0 0
|
||||
542 1 1 0.0000000000000000e+00 -5.5286818454153721e+00 7.6760238475519786e+00 2.3764267284901283e+01 1 0 0
|
||||
543 1 1 0.0000000000000000e+00 -5.1080751254139720e+00 6.2778768365305968e+00 2.7770117369039706e+01 1 0 0
|
||||
544 1 1 0.0000000000000000e+00 -5.3029844012339442e+00 7.1176607222977850e+00 2.8878080176123383e+01 1 0 0
|
||||
545 1 1 0.0000000000000000e+00 -5.1772905842565642e+00 6.6625948787535529e+00 3.0208492706531207e+01 1 0 0
|
||||
546 1 1 0.0000000000000000e+00 -5.4413868882866883e+00 7.4833495887339243e+00 3.1316387242010013e+01 1 0 0
|
||||
547 1 1 0.0000000000000000e+00 -5.1364379062327847e+00 4.8186776758561063e+00 3.1775976750022142e+01 1 0 0
|
||||
545 1 1 0.0000000000000000e+00 -5.1772905842565633e+00 6.6625948787535529e+00 3.0208492706531207e+01 1 0 0
|
||||
546 1 1 0.0000000000000000e+00 -5.4413868882866883e+00 7.4833495887339261e+00 3.1316387242010013e+01 1 0 0
|
||||
547 1 1 0.0000000000000000e+00 -5.1364379062327847e+00 4.8186776758561054e+00 3.1775976750022142e+01 1 0 0
|
||||
548 1 1 0.0000000000000000e+00 -5.0666999844442424e+00 5.6777486376427131e+00 3.2883969645827989e+01 1 0 0
|
||||
549 1 1 0.0000000000000000e+00 -5.0864354859656791e+00 5.2058641362734663e+00 3.4214291784464677e+01 1 0 0
|
||||
550 1 1 0.0000000000000000e+00 -5.0867693179623350e+00 6.0677597187816623e+00 3.5322264299505413e+01 1 0 0
|
||||
@ -637,10 +637,10 @@ Atoms # full
|
||||
561 1 1 0.0000000000000000e+00 5.6788798534258822e+00 1.6161285722519918e+00 4.6231757638416511e+01 0 0 0
|
||||
562 1 1 0.0000000000000000e+00 6.3737794198984252e+00 2.1260436192233754e+00 4.7339757713924605e+01 0 0 0
|
||||
563 1 1 0.0000000000000000e+00 3.9447821865478829e+00 9.8871707622644456e-01 4.7799332390575337e+01 0 0 0
|
||||
564 1 1 0.0000000000000000e+00 4.7820906995527226e+00 1.1943178002245189e+00 4.8907244705111175e+01 0 0 0
|
||||
564 1 1 0.0000000000000000e+00 4.7820906995527226e+00 1.1943178002245185e+00 4.8907244705111175e+01 0 0 0
|
||||
565 1 1 0.0000000000000000e+00 4.3286641116542244e+00 1.0627389816825146e+00 5.0237651629209140e+01 0 0 0
|
||||
566 1 1 0.0000000000000000e+00 5.1458054623967930e+00 1.3373651674709444e+00 5.1345634833621880e+01 0 0 0
|
||||
567 1 1 0.0000000000000000e+00 2.4853782389904877e+00 1.0011187015828555e+00 5.1805115184375879e+01 0 0 0
|
||||
567 1 1 0.0000000000000000e+00 2.4853782389904877e+00 1.0011187015828558e+00 5.1805115184375879e+01 0 0 0
|
||||
568 1 1 0.0000000000000000e+00 -5.2784591847432427e+00 7.0402674293745786e+00 3.2646790958604306e+01 1 0 0
|
||||
569 1 1 0.0000000000000000e+00 -5.6096859015740215e+00 7.8362172518204636e+00 3.3754705894217828e+01 1 0 0
|
||||
570 1 1 0.0000000000000000e+00 -5.4102277640401439e+00 7.4081598983857635e+00 3.5085093012873656e+01 1 0 0
|
||||
@ -652,11 +652,11 @@ Atoms # full
|
||||
576 1 1 0.0000000000000000e+00 -5.1075677809442048e+00 4.9957313054383077e+00 4.1766437980574032e+01 1 0 0
|
||||
577 1 1 0.0000000000000000e+00 -5.1950625002967934e+00 4.5317044111190583e+00 4.3096819948907019e+01 1 0 0
|
||||
578 1 1 0.0000000000000000e+00 -5.0718068338549154e+00 5.3848046076615752e+00 4.4204822458712002e+01 1 0 0
|
||||
579 1 1 0.0000000000000000e+00 7.0424813551046350e+00 2.8583545412563756e+00 4.4664277230574569e+01 0 0 0
|
||||
580 1 1 0.0000000000000000e+00 7.4862432667532071e+00 3.5972441896588574e+00 4.5772285290107803e+01 0 0 0
|
||||
581 1 1 0.0000000000000000e+00 7.2603655585609959e+00 3.1823436209202249e+00 4.7102669005429469e+01 0 0 0
|
||||
579 1 1 0.0000000000000000e+00 7.0424813551046368e+00 2.8583545412563756e+00 4.4664277230574569e+01 0 0 0
|
||||
580 1 1 0.0000000000000000e+00 7.4862432667532106e+00 3.5972441896588569e+00 4.5772285290107803e+01 0 0 0
|
||||
581 1 1 0.0000000000000000e+00 7.2603655585609959e+00 3.1823436209202258e+00 4.7102669005429469e+01 0 0 0
|
||||
582 1 1 0.0000000000000000e+00 -5.3731403555370463e+00 3.9561410969701463e+00 4.8210644380140465e+01 1 0 0
|
||||
583 1 1 0.0000000000000000e+00 6.0055686719727008e+00 1.8303333371287160e+00 4.8670118235776563e+01 0 0 0
|
||||
583 1 1 0.0000000000000000e+00 6.0055686719727008e+00 1.8303333371287158e+00 4.8670118235776563e+01 0 0 0
|
||||
584 1 1 0.0000000000000000e+00 6.6554744862690756e+00 2.3966755027082649e+00 4.9778104888513184e+01 0 0 0
|
||||
585 1 1 0.0000000000000000e+00 6.3128251630328256e+00 2.0718577142120895e+00 5.1108510855305163e+01 0 0 0
|
||||
586 1 1 0.0000000000000000e+00 6.9133356986156196e+00 2.6905121563207501e+00 5.2216428772062777e+01 0 0 0
|
||||
@ -669,9 +669,9 @@ Atoms # full
|
||||
593 1 1 0.0000000000000000e+00 -5.0689173012432009e+00 5.7753887523156511e+00 4.6643144089652274e+01 1 0 0
|
||||
594 1 1 0.0000000000000000e+00 -5.0787049201162375e+00 5.3031991082895127e+00 4.7973464344828443e+01 1 0 0
|
||||
595 1 1 0.0000000000000000e+00 -5.0964355899453313e+00 6.1649129069059061e+00 4.9081437650404169e+01 1 0 0
|
||||
596 1 1 0.0000000000000000e+00 7.4501175808015256e+00 3.5238862419368915e+00 4.9541033097288135e+01 0 0 0
|
||||
596 1 1 0.0000000000000000e+00 7.4501175808015256e+00 3.5238862419368906e+00 4.9541033097288135e+01 0 0 0
|
||||
597 1 1 0.0000000000000000e+00 -5.2491952146754919e+00 4.3268364222109259e+00 5.0648931185621215e+01 1 0 0
|
||||
598 1 1 0.0000000000000000e+00 -5.4025318189920704e+00 3.8803510430821579e+00 5.1979339236891263e+01 1 0 0
|
||||
598 1 1 0.0000000000000000e+00 -5.4025318189920704e+00 3.8803510430821575e+00 5.1979339236891263e+01 1 0 0
|
||||
599 1 1 0.0000000000000000e+00 -5.3085811910792708e+00 7.1332653807721691e+00 4.6405961413535238e+01 1 0 0
|
||||
600 1 1 0.0000000000000000e+00 -5.6563031800561800e+00 7.9220982312337229e+00 4.7513895763255562e+01 1 0 0
|
||||
601 1 1 0.0000000000000000e+00 -5.4478408840854158e+00 7.4982847198286287e+00 4.8844278767228275e+01 1 0 0
|
||||
|
||||
Reference in New Issue
Block a user