89 lines
5.0 KiB
YAML
89 lines
5.0 KiB
YAML
---
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lammps_version: 21 Jul 2020
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date_generated: Fri Aug 7 11:57:40 202
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epsilon: 5e-14
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prerequisites: ! |
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pair colloid
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pre_commands: ! |
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variable units index lj
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variable atom_style index atomic
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post_commands: ! |
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mass 1 9.0
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mass 2 1.0
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neighbor 1.0 bin
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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: colloid 12.5
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pair_coeff: ! |
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1 1 1.0 1.0 5.0 5.0 12.5
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1 2 5.0 1.0 5.0 0.0 7.0
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2 2 10.0 1.0 0.0 0.0 2.5
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extract: ! ""
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natoms: 27
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init_vdwl: -0.250320882681727
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init_coul: 0
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init_stress: ! |2-
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1.6687682615057471e+00 1.1747891073356403e+01 1.0083450567161805e+00 -5.5144333681331359e+00 3.4548099128807436e-01 2.8508471154795298e+00
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init_forces: ! |2
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1 4.2502214537152215e-02 6.8580119035896456e-03 -6.8677100496229701e-02
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2 -2.4409971231138453e-04 -5.8282143696384295e-05 1.8044935805594862e-05
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3 -1.5879676810899343e-02 -1.3312213962585376e-02 -1.1959790230130810e-02
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4 5.4778343227770802e-04 -2.4424984321614867e-02 -3.6445490162239011e-02
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5 7.4458982140296120e-04 5.3043116325023629e-05 1.1848540218007466e-04
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6 2.2466945989092872e+00 -1.1355562227620619e+00 2.3685617789648648e+00
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7 -2.9420817632825609e-03 -7.4830177547552694e-04 -1.2326317038179185e-03
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8 1.0456973881919887e-01 -2.8794438516942737e-02 -1.0767233651978719e-02
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9 -1.8842568296905022e-02 1.7092235687070117e-02 -1.4248069827099535e-02
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10 1.8278642893333091e-04 4.1941592242561833e-04 9.8624961124789412e-05
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11 2.5605560774882609e-02 -1.0270993584697993e-01 -1.1452001476172027e-01
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12 -1.7190177814447427e+00 4.3689733469585290e+00 1.2971816478430653e+00
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13 -1.4111675314136360e-01 4.2420896699357280e-02 -6.2611143561577903e-02
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14 -4.1487669742220991e-02 -9.8022075695912841e-03 1.5709450788901494e-01
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15 1.8296904307488300e+00 -4.3363458812930853e+00 -1.2757754576582720e+00
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16 1.2006895887469950e-03 8.6089636114693700e-04 4.8031493704482794e-05
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17 6.1663662317927603e-04 -2.9235023723413710e-04 3.5387343984160454e-03
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18 -3.6474070486619430e-02 -2.2991550342271461e-02 1.6164948715920169e-02
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19 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
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20 -6.4513560799741325e-03 -1.0256280577842596e-03 -6.5496554886125568e-04
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21 6.2575756583543186e-03 1.1941945764063822e-03 8.5597303165342044e-04
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22 -8.0641944111498032e-04 1.1943078425573997e-04 -9.8433130461350886e-04
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23 -2.2951590782728504e+00 1.1606385208734131e+00 -2.3600356755963983e+00
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24 7.2701432066201874e-02 7.6224922982964613e-02 1.0727212071804378e-01
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25 -1.1259499193288544e-01 1.6395143300644177e-02 -9.0439962448757879e-04
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26 1.0304882476745540e-01 7.8050496446500431e-03 1.9255643852370385e-02
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27 -4.3346315050731818e-02 -2.2993111981455712e-02 -1.1392238078737215e-02
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run_vdwl: 0.0367182211916192
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run_coul: 0
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run_stress: ! |2-
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3.2545234036053254e+00 1.2817594721674045e+01 2.9383804763809485e+00 -6.5738604535059864e+00 2.3065705273606478e+00 1.5121755374667603e+00
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run_forces: ! |2
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1 4.1447236896055568e-02 8.4984633363665834e-03 -7.1565468520811443e-02
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2 -2.4451051586476304e-04 -5.7391827303752204e-05 1.6907428582411947e-05
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3 -1.6184661894786571e-02 -1.2047019655367870e-02 -1.2189740041384602e-02
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4 4.7049123492354846e-04 -3.0305522972900800e-02 -4.3609470856651497e-02
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5 7.9841068285770012e-04 6.5880880038333371e-05 1.3840659114887740e-04
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6 5.4775302106929926e+00 -3.3435741912382899e+00 5.8021270645808745e+00
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7 -3.4577504657755014e-03 -9.3349532033408413e-04 -1.5696706937008277e-03
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8 1.3392885595460452e-01 -2.9467417351771795e-02 -9.0902656642780702e-03
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9 -1.7123469245219562e-02 1.5862013571050645e-02 -1.3049795876411903e-02
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10 1.8544095678649998e-04 3.9928059116526140e-04 1.2197284521083842e-04
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11 1.5450042897697011e-02 -1.0557539868014379e-01 -1.1539698970598398e-01
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12 -1.6489596487183065e+00 4.4215309402003911e+00 1.2758457405639687e+00
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13 -1.3347630087741680e-01 3.6628535027741112e-02 -5.6719354360201757e-02
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14 -4.1553429683017021e-02 -1.1540368471833904e-02 1.5467778628554116e-01
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15 1.7577484997124488e+00 -4.3805631271698307e+00 -1.2463135748050815e+00
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16 1.0396685127639720e-03 7.5317296594891241e-04 4.1929174719427522e-05
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17 1.1778403499163440e-03 -7.1238534940179336e-05 3.8035065505820104e-03
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18 -3.3315903593767987e-02 -2.1130575404712599e-02 1.4962162894607431e-02
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19 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
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20 -6.6557683033616174e-03 -9.8089615075005066e-04 -4.5869764220629459e-04
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21 6.4422979624128504e-03 1.1468754348007283e-03 6.8525347184504311e-04
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22 -7.5216145678175033e-04 1.1318396788931372e-04 -9.2834078115899713e-04
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23 -5.5282158633416767e+00 3.3673691649465551e+00 -5.7944723588252627e+00
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24 5.8210356160171874e-02 7.7028326238927733e-02 1.0457588922155152e-01
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25 -1.4075156519665147e-01 1.8202248246942915e-02 -2.0674716237672891e-03
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26 1.1435050190904306e-01 8.6100147519947955e-03 2.0290916519561587e-02
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27 -3.8088820630046961e-02 -1.9961457381631506e-02 -9.8563367312923152e-03
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...
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