78 lines
4.8 KiB
YAML
78 lines
4.8 KiB
YAML
---
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lammps_version: 17 Feb 2022
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date_generated: Fri Mar 18 22:17:58 2022
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epsilon: 2e-13
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skip_tests:
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prerequisites: ! |
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atom full
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fix drag
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pre_commands: ! ""
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post_commands: ! |
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fix move all nve
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fix test solute drag 2.4 -1.0 -1.0 10.0 0.6
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input_file: in.fourmol
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natoms: 29
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global_vector: ! |-
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3 49.37386569186292 -47.91054585938017 2.7675838589028423
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run_pos: ! |2
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1 -2.7009921016892235e-01 2.4907528197219242e+00 -1.6706714742004872e-01
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2 3.1102754907763769e-01 2.9594027135767238e+00 -8.5473698877862359e-01
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3 -7.0341245968566879e-01 1.2301368186713786e+00 -6.2784532277539096e-01
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4 -1.5800754141862727e+00 1.4826400216615525e+00 -1.2537661019410140e+00
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5 -9.0551985520028100e-01 9.2552850343442328e-01 3.9883606607154776e-01
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6 2.4889979318182220e-01 2.8279798387704186e-01 -1.2313288119237860e+00
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7 3.4183130472378914e-01 -2.2840316788830771e-02 -2.5289657703463995e+00
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8 1.1748766924664271e+00 -4.8884547615224400e-01 -6.3798037333935742e-01
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9 1.3812557384528446e+00 -2.5359438142640300e-01 2.8212931861687268e-01
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10 2.0511008425571324e+00 -1.4604295217499343e+00 -9.8323768143111301e-01
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11 1.7886612283034122e+00 -1.9907964477021713e+00 -1.8878280028824912e+00
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12 3.0058773477814476e+00 -4.9049281496219399e-01 -1.6227540908579672e+00
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13 4.0496284046487334e+00 -8.9214812510857799e-01 -1.6392496185507874e+00
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14 2.6064486577696244e+00 -4.1858286397784850e-01 -2.6614777350069176e+00
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15 2.9688187183894881e+00 5.5231783710810345e-01 -1.2338930341849850e+00
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16 2.6746089785699212e+00 -2.4118620888291584e+00 -2.3855010361450477e-02
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17 2.2153906337644615e+00 -2.0895596496269095e+00 1.1958621828113769e+00
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18 2.1369701704069621e+00 3.0158507413473430e+00 -3.5179348336963914e+00
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19 1.5355837136075170e+00 2.6255292355385769e+00 -4.2353987779863020e+00
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20 2.7727573005671085e+00 3.6923910449616164e+00 -3.9330842459130770e+00
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21 4.9040128073079865e+00 -4.0752348172925501e+00 -3.6210314709803710e+00
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22 4.3582355554437813e+00 -4.2126119427287394e+00 -4.4612844196310357e+00
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23 5.7439382849306133e+00 -3.5821957939284732e+00 -3.8766361295936838e+00
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24 2.0689243582545647e+00 3.1513346907116913e+00 3.1550389754738388e+00
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25 1.3045351331613000e+00 3.2665125705751850e+00 2.5111855257457640e+00
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26 2.5809237402717207e+00 4.0117602605475788e+00 3.2212060529089568e+00
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27 -1.9611343130483321e+00 -4.3563411931417928e+00 2.1098293115519544e+00
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28 -2.7473562684516057e+00 -4.0200819932381568e+00 1.5830052163434070e+00
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29 -1.3126000191368539e+00 -3.5962518039489728e+00 2.2746342468742613e+00
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run_vel: ! |2
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1 8.5245692419034496e-03 1.6054359615288078e-02 4.6835706342010664e-03
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2 6.4469181534162999e-03 3.3572509925720367e-03 -1.5167252018059574e-03
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3 -7.6446099104923197e-03 -1.3347273672018592e-02 -4.1697832271252828e-03
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4 -2.0567476876389729e-03 -7.6669151224523190e-03 -1.0198053461907117e-03
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5 -9.3569552193218750e-03 -1.0882851843050203e-02 -3.5334700439280079e-03
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6 -3.9106465978160643e-02 4.6496857496481636e-02 3.7247257153434250e-02
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7 1.3059086080740997e-03 -1.0323892210522569e-02 -5.1314637706566767e-02
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8 8.4142216534211708e-03 -3.5565684772021241e-03 3.4400630540566572e-02
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9 2.7821506314630175e-03 2.9127766895719028e-03 1.3711312410369396e-02
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10 2.9245154884128464e-02 -2.9289778535465775e-02 -1.5017110420116284e-02
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11 -3.9376008935933897e-03 -2.3830258447108204e-03 -1.1504378141809892e-03
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12 1.8415493135460392e-03 -7.1221479538782599e-04 -2.6222068799362824e-03
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13 8.7397591637950627e-04 5.6786568476995388e-03 -4.6959188559555559e-05
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14 3.2686129061490756e-03 -6.4777672751304858e-03 -2.0572626109492979e-03
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15 -2.5621680789949001e-03 -7.7318113961355383e-03 6.6113139508743451e-03
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16 1.8591880620408618e-02 -1.2716970618980193e-02 -4.6060427771778933e-02
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17 -1.2865567938515560e-02 9.9920280977181114e-03 3.6850337974210626e-02
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18 -8.0065795856943756e-04 -8.6270476392988208e-04 -1.4483040184797812e-03
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19 1.2452390810585078e-03 -2.5061097098477442e-03 7.2998631044991014e-03
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20 3.5930060212105179e-03 3.6938860319506088e-03 3.2322732695887475e-03
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21 -1.4689220629138244e-03 -2.7352129045937388e-04 7.0581626051508613e-04
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22 -7.0694199261113425e-03 -4.2577148925603452e-03 2.8079117696165341e-04
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23 6.0446963112475291e-03 -1.4000131635613822e-03 2.5819754846041656e-03
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24 3.1926370424225096e-04 -9.9445667906353057e-04 1.4999995101417707e-04
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25 1.3789756975914497e-04 -4.4335895072924554e-03 -8.1808136260541446e-04
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26 2.0485904046666234e-03 2.7813358617992958e-03 4.3245727148598419e-03
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27 4.5604117722843030e-04 -1.0305523146029965e-03 2.1188058296474322e-04
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28 -6.2544520868644520e-03 1.4127711171995712e-03 -1.8429821885457452e-03
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29 6.4110631343027870e-04 3.1273432703629580e-03 3.7253671115222860e-03
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...
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