92 lines
5.1 KiB
YAML
92 lines
5.1 KiB
YAML
---
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lammps_version: 10 Feb 2021
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date_generated: Fri Feb 26 23:09:10 2021
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epsilon: 2e-13
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skip_tests: single
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prerequisites: ! |
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atom sphere
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pair yukawa/colloid
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pre_commands: ! |
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variable atom_style index sphere
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variable units index lj
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post_commands: ! |
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neighbor 1.0 bin
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set type 1 diameter 10.0
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set type 2 diameter 2.0
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set type 1 mass 9
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set type 2 mass 1
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comm_style brick
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comm_modify mode single
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input_file: in.colloid
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pair_style: yukawa/colloid 2.0 10.0
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pair_coeff: ! |
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1 1 1.0
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2 2 1.0
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extract: ! ""
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natoms: 27
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init_vdwl: 1707.69163115118
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init_coul: 0
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init_stress: ! |2-
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2.4925595248180834e+03 1.1916297836190974e+04 4.2828223324219935e+03 -6.2926457403782319e+02 -1.7226034441498136e+03 5.5422724571118408e+02
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init_forces: ! |2
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1 -2.8073880670318630e+02 -3.6574615210967174e+01 4.7565224775875566e+02
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2 2.3027877541417990e-01 1.6647663238453284e-01 -2.1300802125032775e-01
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3 1.8622627556377072e+01 1.7418315889430680e+01 1.9280726577143295e+01
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4 -7.3743135329248597e+00 -6.4975793137692266e+00 1.9087670320521170e+01
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5 -7.3508494479766084e-01 -8.2412697672753554e-02 -1.5005702909189306e-01
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6 1.7320395916857287e+01 -6.9106780354930022e+00 6.7386175962978516e+00
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7 9.7499103643197738e-01 2.8721632142794878e-01 -1.3683232724866815e-01
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8 2.2391232246860548e+00 1.8632130657290362e+00 2.8452312139560512e+00
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9 2.6120269982516259e+01 -2.3547928165823137e+01 1.9856374488043990e+01
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10 -2.9190321849908918e-01 -7.0017048921340086e-01 -9.9615253363349865e-02
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11 -5.8024253397001047e+01 7.4184703338136487e+01 7.3828250135196384e+01
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12 -1.0277418233612232e+02 2.4686493514916592e+02 7.4290394668583573e+01
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13 1.3965005601545434e+02 -4.2084570633905948e+01 6.1958980300171035e+01
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14 3.6697320620807275e+01 8.6115282692863957e+00 -1.3906289416834983e+02
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15 -8.5092137312502928e+01 1.1159723118540235e+03 3.0461666086127067e+01
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16 -1.8099080349864165e+00 -1.3135880330559653e+00 -8.4442537815862126e-02
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17 2.4546690085251077e+00 1.7537421798378037e+00 -3.3817011465816957e+00
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18 4.4293462019142360e+01 2.8134418379238621e+01 -1.9735439838065982e+01
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19 7.8525271410608902e-02 -1.1498657067680788e-01 -7.4723395308434110e-02
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20 3.4699828137264332e-01 7.4355875426966742e-02 1.6880277552367914e-01
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21 6.1324943592158676e-03 -2.4185735692050653e-01 -6.1590239429122051e-01
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22 1.0804874612636051e+00 -2.2067492158303806e-01 1.6567391908442186e+00
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23 4.9915427835439715e+01 -1.1135563673834811e+01 -5.0251923876004341e+00
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24 2.0209221554195148e+02 -1.4144153617755655e+03 -6.2249923336790516e+02
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25 3.9091258782696285e+00 -3.5326654057532719e-01 4.7334165925855037e-01
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26 -6.0742511180270498e+01 2.1819250139897854e+01 -8.7460910512647203e+00
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27 5.1550993740012451e+01 2.7042786325070402e+01 1.3526090147715118e+01
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run_vdwl: 1323.07868576666
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run_coul: 0
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run_stress: ! |2-
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2.1967177306554954e+03 8.5663931752326953e+03 3.8861287529537371e+03 -4.2921958355450886e+02 -1.4997587809515621e+03 2.8001183019458591e+02
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run_forces: ! |2
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1 -2.5249310877828921e+02 -2.4945770046973646e+01 4.3161147880883379e+02
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2 2.5794595107526141e-01 1.8755164976885333e-01 -2.3820213021106212e-01
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3 2.2112042219233306e+01 1.4224822665127668e+01 2.3696724901469047e+01
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4 -9.9726138437261440e+00 -4.6243998770870478e+00 2.6256472781056406e+01
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5 -1.0404007171235226e+00 -1.4462051946583487e-01 -2.0675009410223422e-01
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6 1.9140463719868137e+01 -9.4186960926009178e+00 8.1044346939074714e+00
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7 1.0237114585742528e+00 3.2874546446902542e-01 -5.3071333522891534e-02
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8 6.3405180098392711e-01 1.5741657225855421e+00 2.5604883782175962e+00
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9 2.1725618911172706e+01 -2.0192716442293733e+01 1.6196399447149126e+01
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10 -3.5731179282367276e-01 -7.0614963500636108e-01 -2.5342046154241299e-01
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11 -3.9651629401382806e+01 6.6766373363073342e+01 4.8425165538202997e+01
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12 -7.6890300950610765e+01 1.8484032882931277e+02 5.6595657386931236e+01
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13 1.2589671618017137e+02 -2.7337021769775838e+01 5.3740137776718150e+01
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14 3.1095986991292310e+01 1.3684588519026317e+01 -1.1383098769404336e+02
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15 -8.1622112845551570e+01 4.6845904442913047e+02 4.1096429738368530e+00
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16 -1.3006854262157681e+00 -9.7151530756541304e-01 -7.6873396313466444e-02
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17 2.1456613651961907e+00 1.6761186329624558e+00 -3.0699395871280575e+00
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18 3.8962449077066637e+01 2.3823597716991934e+01 -1.7792685575035719e+01
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19 8.4399250187231517e-02 -1.0941150172182573e-01 -8.5840974741715453e-02
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20 3.5132577801247417e-01 6.1819274182332670e-02 1.2730939172922037e-01
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21 1.1622935836838841e-01 -2.7106053369116795e-01 -7.9186553354537637e-01
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22 8.7904548187446330e-01 -2.0579352589160624e-01 1.3787559034080152e+00
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23 4.2410540916742434e+01 -7.6501965295932157e+00 -5.9093527113343374e+00
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24 1.6863893072044945e+02 -7.2208189472567165e+02 -5.3018457902472585e+02
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25 4.9960264722835275e+00 -2.6335862866906223e-01 6.6079280675528396e-01
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26 -5.2213717178367361e+01 2.4028967934574769e+01 -1.0482783999543646e+01
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27 3.5070735281538624e+01 1.9266480934801731e+01 9.5128917275750453e+00
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...
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