111 lines
7.0 KiB
YAML
111 lines
7.0 KiB
YAML
---
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lammps_version: 27 Jun 2024
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tags: generated
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date_generated: Sun Aug 4 23:05:44 2024
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epsilon: 5e-14
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skip_tests:
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prerequisites: ! |
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atom full
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atom dipole
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atom sphere
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fix nve/sphere
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pair lj/cut/dipole/cut
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pre_commands: ! ""
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post_commands: ! |
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pair_style lj/cut/dipole/cut 8.0
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pair_coeff * * 0.0 3.0
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fix test solute nve/sphere
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input_file: in.dipole
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natoms: 29
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run_pos: ! |2
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1 -2.7835201600161724e-01 2.4739635854534794e+00 -1.7266529159533381e-01
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2 3.0956103448813443e-01 2.9513901683650312e+00 -8.4519651860039569e-01
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3 -6.9665388827099395e-01 1.2476305197459465e+00 -6.2308633790835477e-01
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4 -1.5806537977080743e+00 1.4898724624011970e+00 -1.2603672720324142e+00
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5 -9.0717200386943198e-01 9.2534244484276396e-01 4.0971062893387816e-01
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6 2.9372031055501280e-01 2.2980352699256024e-01 -1.2829701888814602e+00
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7 3.4004500250432684e-01 -1.0586419947851007e-02 -2.4647781104797737e+00
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8 1.1647778686298806e+00 -4.8521860573422493e-01 -6.7576451345363708e-01
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9 1.3829157998107842e+00 -2.6565307188585591e-01 2.5173761233997971e-01
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10 2.0193699262014606e+00 -1.4271086980367889e+00 -9.6774682990296845e-01
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11 1.7884196964387378e+00 -1.9958841177406170e+00 -1.8938559206044039e+00
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12 3.0052615603252124e+00 -4.9066073995751519e-01 -1.6219039335607899e+00
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13 4.0475793689415624e+00 -8.9569728772577217e-01 -1.6399185944813628e+00
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14 2.6066884436546016e+00 -4.2009332682164852e-01 -2.6567757591856020e+00
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15 2.9673761534618444e+00 5.6046814860711702e-01 -1.2240283568299068e+00
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16 2.6514444904275640e+00 -2.3965661912341849e+00 3.6272891734414767e-02
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17 2.2323418147609932e+00 -2.1015989434988138e+00 1.1506700987376535e+00
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18 2.1384791188033843e+00 3.0177261773770208e+00 -3.5160827596876225e+00
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19 1.5349125211132961e+00 2.6315969880333707e+00 -4.2472859440220647e+00
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20 2.7641167828863153e+00 3.6833419064000221e+00 -3.9380850623312638e+00
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21 4.9064454390208301e+00 -4.0751205255383196e+00 -3.6215576073601046e+00
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22 4.3687453488627543e+00 -4.2054270536772504e+00 -4.4651491269372565e+00
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23 5.7374928154769504e+00 -3.5763355905184966e+00 -3.8820297194230728e+00
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24 2.0684115301174013e+00 3.1518221747664397e+00 3.1554242678474576e+00
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25 1.2998381073113014e+00 3.2755513587518097e+00 2.5092990173114837e+00
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26 2.5807438597688113e+00 4.0120175892854135e+00 3.2133398379059099e+00
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27 -1.9613581876744359e+00 -4.3556300596085160e+00 2.1101467673534788e+00
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28 -2.7406520384725965e+00 -4.0207251278130975e+00 1.5828689861678511e+00
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29 -1.3108232656499081e+00 -3.5992986322410760e+00 2.2680459788743503e+00
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run_vel: ! |2
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1 8.0441098013536922e-04 7.1566696890216987e-04 -4.3319530641127346e-04
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2 4.9019924927833974e-03 -4.7801485992371336e-03 8.0763763167138562e-03
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3 -1.0296827041707426e-03 1.9681821177098763e-03 -4.0661362502986766e-04
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4 -2.4750904667702675e-03 -4.0142184848872438e-04 -7.4645414457473643e-03
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5 -1.0920223377262466e-02 -1.0990650916587274e-02 7.1259821326181451e-03
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6 -9.5250936177773566e-05 1.3338845867289183e-03 5.4216231888479466e-04
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7 -4.3622272484028061e-05 -6.9095838256533388e-04 -6.9347553685684493e-04
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8 2.6770309186413674e-04 -6.5039173203211488e-04 6.8080720281545992e-04
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9 3.9551108074098729e-03 -9.3129436730056761e-03 -1.8150317067617373e-02
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10 3.9268045122209367e-04 7.8613414593941687e-04 -1.8443604077645888e-04
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11 -4.1884490183000996e-03 -7.1206276521598860e-03 -6.7115880881258904e-03
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12 1.1515461519926524e-03 -7.7600056283407166e-04 -1.7352241098650581e-03
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13 -1.2037022170798490e-03 2.1033375439546290e-03 -6.8928778601844891e-04
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14 3.5046339401241904e-03 -8.0020522800663824e-03 2.6034033369112253e-03
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15 -3.9825896439104579e-03 1.5687388979248213e-04 1.6410860063121459e-02
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16 -2.1359275515571666e-04 -3.5441416299211248e-04 1.8682699034667436e-03
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17 6.8808524051577229e-04 3.2653076879221409e-04 6.4078607994587312e-04
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18 -6.0936815808025862e-04 -9.3774557532468582e-04 -3.3558072507805731e-04
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19 -6.9919768291957119e-04 -3.6060777270430031e-03 4.2833405289822791e-03
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20 4.7777805013736515e-03 5.1003745845520452e-03 1.8002873923729241e-03
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21 -9.5568188553430398e-04 1.6594630943762931e-04 -1.8199788009966615e-04
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22 -3.3137518957653462e-03 -2.8683968287936054e-03 3.6384389958326871e-03
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23 2.4209481134686401e-04 -4.5457709985051130e-03 2.7663581642115042e-03
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24 2.5447450568861086e-04 4.8412447786110117e-04 -4.8021914527341357e-04
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25 4.3722771097312743e-03 -4.5184411669545515e-03 2.5200952006556795e-03
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26 -1.9250110555001179e-03 -3.0342169883610837e-03 3.5062814567984532e-03
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27 -2.6510179146429716e-04 3.6306203629019116e-04 -5.6235585400647747e-04
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28 -2.3068708109787484e-04 -8.5663070212203200e-04 2.1302563179109169e-03
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29 -2.5054744388303732e-03 -1.6773997805290820e-04 2.8436699761004796e-03
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run_torque: ! |2
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1 -6.1369442148570865e+00 1.9344329280997965e+01 3.7344506939264207e+01
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2 3.0372242336331482e+01 3.0516736906001874e+01 3.1837679095375965e+01
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3 2.1817318817985253e+01 9.4576413065995695e+00 9.8636459614053820e+00
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4 -2.1859322113371874e+01 -1.0401405983068739e+00 -6.4154018256568133e+00
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5 -1.6984681658568327e+01 5.5916090651560040e+01 8.8272011818718816e+00
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6 -5.5445401523514889e+01 1.0180538866331212e+01 1.0772053030432435e+01
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7 1.8266604749251279e+01 2.1133479721233556e+01 1.4209146957622119e+01
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8 -4.3619353226873464e+01 3.0173491608019667e+01 7.5845536355433731e+00
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9 -1.4972711327577034e+01 -3.2426165839548453e+01 4.7557419242889260e+01
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10 1.0333541801876125e+01 1.3064173904648970e+00 -1.6281096208357916e+01
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11 9.9463019103210613e+00 7.5793545085830772e+01 7.3376780539143125e+00
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12 -4.3477468764010609e+00 -8.1149312707506045e+00 2.1294974920295019e+01
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13 -2.5499326677842884e+01 -4.0243913648910663e+00 5.7246138756449035e+01
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14 -1.9683515377820925e+01 2.4820181675524071e+00 4.9348962151675231e+01
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15 -3.7855165768175027e+01 2.1221904028945908e+00 3.4104393401183650e+01
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16 8.7158940337050286e+00 2.1868069478502083e+01 1.5554899051274487e+00
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17 -1.3272387048726866e+01 1.1831520641370773e+01 -2.7741884943671709e+00
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18 3.6389100706671151e+01 -4.6952265624106118e+01 4.5604293213892028e+01
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19 -3.6996258348060067e+00 -1.1557494761353593e+00 2.0757209307809553e+01
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20 5.7445951329295376e+01 -2.4306027467396433e+01 -7.4743937873436552e+00
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21 -1.6223863094107173e+01 -1.4593925365079004e+01 1.9953362336512413e+01
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22 -3.2058029620351300e+00 -3.5223897380584305e+01 -2.9218653334039352e+01
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23 -8.1678114304270526e+00 3.3245566444795379e+01 -1.2476865309174510e+01
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24 1.8570656282853857e+01 -1.5481789966966369e+01 -2.2352134119257013e+01
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25 1.7658057211937717e+00 -8.1674590394669622e+00 -2.8080610896993186e+01
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26 1.9981245915490664e+01 -7.8110010956728546e+00 -1.0521226534863638e+01
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27 -1.0527945105027145e+01 -3.9204819734927668e+01 -5.1025650554957828e+01
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28 3.9126067084806371e+00 2.3092835764055835e+00 -1.3933264500680171e+00
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29 2.4598237451858992e+01 4.2569045443064546e+01 -2.2681691321733148e+01
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...
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