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---
lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:58 2021
epsilon: 2e-14
prerequisites: ! |
atom full
fix spring
pre_commands: ! ""
post_commands: ! |
fix move all nve
fix test solute spring couple solvent 10.0 1.0 1.0 1.0 2.0
input_file: in.fourmol
natoms: 29
global_scalar: 0.0745600021880662
global_vector: ! |-
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run_pos: ! |2
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2 3.1003734035005548e-01 2.9612355031681896e+00 -8.5465767199405718e-01
3 -7.0398846939763016e-01 1.2305510356412508e+00 -6.2776931106751632e-01
4 -1.5818188890389260e+00 1.4837408219517443e+00 -1.2538651252302153e+00
5 -9.0720059211686166e-01 9.2652107891551694e-01 3.9954806325973802e-01
6 2.4831424985874301e-01 2.8313025503592970e-01 -1.2314173747941828e+00
7 3.4143232102587662e-01 -2.2646510981129606e-02 -2.5292231831151448e+00
8 1.1743522675207747e+00 -4.8863224560038016e-01 -6.3782837073133847e-01
9 1.3800494675610551e+00 -2.5274717024523280e-01 2.8354581724698807e-01
10 2.0510735666648618e+00 -1.4604063339712172e+00 -9.8323149244059127e-01
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13 4.0515373405302482e+00 -8.9202007600744393e-01 -1.6399945946163834e+00
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29 -1.3126000191359430e+00 -3.5962518039482481e+00 2.2746342468737524e+00
run_vel: ! |2
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8 7.9035081634799484e-03 -3.3506842779195667e-03 3.4563071923978395e-02
9 1.5614545698480605e-03 3.7365957889788368e-03 1.5053382251661831e-02
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13 2.7502110031512803e-03 5.8171473405184589e-03 -7.8870111045942410e-04
14 3.5216551951876380e-03 -5.7939583798635912e-03 -3.9418696877854152e-03
15 -1.8577574059657112e-03 -5.8554318156634260e-03 6.2998219436421867e-03
16 1.8678536930086594e-02 -1.3262425025023551e-02 -4.5632678025461573e-02
17 -1.2899233023551178e-02 9.7528077053395442e-03 3.7302508790818492e-02
18 -7.9440130110467366e-04 -8.6279167842954693e-04 -1.4609173378236297e-03
19 1.2514957291990608e-03 -2.5061966621517458e-03 7.2872498362114985e-03
20 3.5992626684105246e-03 3.6937990802613915e-03 3.2196600049196173e-03
21 -1.4626653887940357e-03 -2.7360825248647872e-04 6.9320297545580442e-04
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28 -6.2544520861563657e-03 1.4127711176388342e-03 -1.8429821884847254e-03
29 6.4110631543493459e-04 3.1273432720553373e-03 3.7253671105021797e-03
...
|
