93 lines
5.7 KiB
YAML
93 lines
5.7 KiB
YAML
---
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lammps_version: 10 Feb 2021
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tags: slow
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date_generated: Fri Feb 26 23:08:58 2021
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epsilon: 5e-12
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prerequisites: ! |
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pair atm
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pre_commands: ! |
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variable newton_pair delete
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if "$(is_active(package,gpu)) > 0.0" then "variable newton_pair index off" else "variable newton_pair index on"
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post_commands: ! ""
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input_file: in.metal
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pair_style: atm 12.0 5.0
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pair_coeff: ! |
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* * * 25.0
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extract: ! ""
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natoms: 32
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init_vdwl: 4.29790007480121
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init_coul: 0
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init_stress: ! |2-
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1.2907320878711678e+01 1.2784310537300177e+01 1.2989469257199106e+01 3.2388109042463260e-02 4.8727763023580862e-03 -4.0982848248419549e-03
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init_forces: ! |2
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1 3.5581409515979601e-02 6.6170603930536254e-02 -1.9657602591644043e-02
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2 -4.0181790045265731e-02 -2.0892933124588189e-02 4.3515647665365753e-02
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3 -5.2873801996566078e-02 1.9415917918634595e-01 -3.9730705882249660e-02
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4 4.3221201173691610e-02 -5.3912532143246582e-03 -3.2281153069682836e-02
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5 -1.8387318177822624e-02 8.7317610234375787e-02 2.7969018153540259e-02
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6 2.6185663882376260e-02 3.5171102644862277e-02 -5.1219375613743021e-03
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7 -3.1490819881942640e-02 6.5956101386308016e-02 6.8677867158615392e-03
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8 -1.9771689987523610e-02 -3.7594921850371769e-02 -8.4307495282797650e-03
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9 4.7919820371530121e-04 -5.9529779739449271e-02 4.5230340595518318e-03
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10 -3.8804555986763328e-02 -4.6922196051675163e-02 -1.0797129016352182e-01
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11 -3.2826076903999080e-02 -7.5503308259920576e-02 1.1970705076231533e-02
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12 -2.4613812864747092e-02 -6.7239447290304469e-02 -9.0121820237178494e-03
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13 2.7089300794964806e-03 -1.4528071587921704e-02 -2.7347662355917620e-02
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14 2.7986260739369110e-02 -6.5461527447112561e-02 7.5534446982419956e-02
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15 1.9271005231787620e-03 7.2359472904105380e-03 -3.0781693569678650e-02
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16 1.1687070682628822e-01 -6.4312104712192772e-02 2.1309553149323875e-02
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17 1.0888534531464095e-02 1.0454723570267324e-01 3.5614863964300483e-02
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18 -9.1983745551187018e-02 3.5982768868181726e-02 -6.5770192983863413e-02
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19 -9.7745812634025681e-02 -2.8662838433594975e-02 4.2884191392092347e-02
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20 6.6929579981924369e-03 -1.1324028905164241e-03 1.4621781626674010e-02
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21 9.8648813214533046e-02 3.7753727846415210e-02 -2.4132398124233179e-02
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22 7.8439198831445310e-03 -6.0335873260805896e-02 1.9437161621838246e-02
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23 4.6614292744932499e-02 1.1857041206603151e-01 -3.3964248081929875e-02
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24 7.7454114924576462e-02 5.7378617647303773e-02 5.6931300289059149e-02
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25 6.9887613104710547e-02 -4.2398102358800677e-02 -3.5028752068428398e-02
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26 -1.6224830127918644e-02 -1.1761564791910283e-01 1.0092892057253366e-01
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27 1.4972600768275168e-02 2.8960710760345877e-02 1.1372156522297028e-02
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28 8.8185313442822003e-02 2.8854403352889186e-03 4.1475457222057879e-02
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29 -1.5664166042089471e-02 4.4232213894541059e-02 -5.4316410243832438e-03
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30 -5.4737231063771909e-02 -7.4768574267284921e-04 -7.9319198647640782e-02
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31 -1.6935816002065361e-02 -1.0547543496314456e-01 5.0982604012348082e-02
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32 -1.2390716429105794e-01 -7.2578142947119742e-02 -4.1957221348949782e-02
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run_vdwl: 4.2978376627225
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run_coul: 0
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run_stress: ! |2-
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1.2906967061285989e+01 1.2784294465524448e+01 1.2989277437691916e+01 3.2259383532254583e-02 4.8758996531777293e-03 -4.1128361419111841e-03
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run_forces: ! |2
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1 3.5401721309115237e-02 6.6151336873749966e-02 -1.9719724377827347e-02
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2 -4.0186763809660464e-02 -2.0854993702571011e-02 4.3564156334967394e-02
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3 -5.2820010582647819e-02 1.9402027303196295e-01 -3.9782002457720449e-02
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4 4.3294629615879932e-02 -5.3566645090954174e-03 -3.2263283314663521e-02
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5 -1.8378897090245969e-02 8.7246556653410343e-02 2.8053245131795038e-02
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6 2.6232367484997965e-02 3.5060350748682835e-02 -5.2206558017400973e-03
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7 -3.1527323048459593e-02 6.5984312542039444e-02 6.7389658719831658e-03
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8 -1.9855910842240573e-02 -3.7622802584800094e-02 -8.4482312154984043e-03
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9 5.4856672365414410e-04 -5.9571065857357122e-02 4.4768992945615847e-03
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10 -3.8675871678911206e-02 -4.6879733954323363e-02 -1.0782500098987788e-01
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11 -3.2817216375070735e-02 -7.5514260839380135e-02 1.1968644424281518e-02
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12 -2.4475979845238492e-02 -6.7196817501989303e-02 -9.0388543456681111e-03
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13 2.6155879085454393e-03 -1.4537088966496406e-02 -2.7380086488130857e-02
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14 2.8022126159726869e-02 -6.5267741664761889e-02 7.5447861721112994e-02
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15 1.9864184880557258e-03 7.2165814788740035e-03 -3.0735996532295987e-02
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16 1.1665348252753197e-01 -6.4232317162071603e-02 2.1257641389521350e-02
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17 1.0970114277397797e-02 1.0455135710732520e-01 3.5692908103572597e-02
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18 -9.2033642815095240e-02 3.6070951951039168e-02 -6.5805442692928498e-02
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19 -9.7758656960776430e-02 -2.8758989687168304e-02 4.2814225276081364e-02
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20 6.6052526704885707e-03 -1.1412669164007950e-03 1.4620703883852976e-02
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21 9.8556356324640437e-02 3.7647350349833450e-02 -2.4134796120472056e-02
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22 7.9143649713514612e-03 -6.0296720982841029e-02 1.9530903648322953e-02
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23 4.6716657905498074e-02 1.1858326999885892e-01 -3.3798456551843312e-02
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24 7.7516105367544330e-02 5.7413902243213376e-02 5.6960262870515956e-02
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25 6.9931796492555598e-02 -4.2434731189407528e-02 -3.5026903538419231e-02
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26 -1.6191450675578506e-02 -1.1756583460234057e-01 1.0093058326973189e-01
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27 1.4993409909210692e-02 2.8999867813830314e-02 1.1307382558895171e-02
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28 8.8224082745384930e-02 2.9470751338946514e-03 4.1471260624656496e-02
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29 -1.5741505346307305e-02 4.4269590456497976e-02 -5.3499638747653271e-03
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30 -5.4772143709541747e-02 -8.1097185829389999e-04 -7.9266803882798428e-02
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31 -1.6955755719736010e-02 -1.0553514857043328e-01 5.0965681063917891e-02
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32 -1.2399191238206866e-01 -7.2585625833481202e-02 -4.2005123283120671e-02
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...
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