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---
lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:35 2021
epsilon: 4e-13
prerequisites: ! |
atom full
dihedral helix
pre_commands: ! ""
post_commands: ! ""
input_file: in.fourmol
dihedral_style: helix
dihedral_coeff: ! |
1 75 60 42
2 45 20 75
3 56 10 32
4 23 80 61
5 19 90 13
extract: ! ""
natoms: 29
init_energy: 4634.43654570767
init_stress: ! |-
-8.0823732518007063e+01 9.9479187244686372e+01 -1.8655454726675949e+01 3.1101576556766464e+01 7.4461883645297817e+01 4.1747530138691431e+01
init_forces: ! |2
1 1.5382329638267035e+02 -8.7367671314025870e+01 9.6804569946208261e+01
2 -1.1019792518885538e+02 5.6905003129041866e+01 -5.3841150676408077e+01
3 2.3246539083975540e+02 4.0296299562627843e+02 -1.1393686865859719e+02
4 3.1568060813146815e+01 7.2317480245219112e+00 -4.1634456256848267e+01
5 6.2738188559800125e+00 -1.7156050770489149e+00 7.1235927088545736e-01
6 -1.0269680933720128e+03 -1.1690454281502080e+03 2.1661954258810474e+02
7 4.5805034065516077e+02 4.9842112368971334e+02 -8.2004595690709891e+01
8 -5.7825681205863634e+02 -3.5494272038879524e+02 -3.0370616059225443e+02
9 4.4268140801703601e+02 4.4489087402560148e+02 -2.0831276526993508e+02
10 -8.7951164139994106e+01 1.0636363540938811e+02 -5.4515993120398562e+01
11 7.1220902371740760e+02 -3.3016873225873167e+02 2.5993521030531866e+01
12 -1.7787675730154284e+01 1.3423193485792939e+02 1.6661355844612928e+02
13 -1.3886141645948561e+02 -3.1919416278193785e+02 -6.6993643041455698e+02
14 -3.7790416886453352e+02 5.2586290618778116e+02 1.8698421427449404e+02
15 4.7485173910262199e+02 -1.6076127127963423e+02 4.8579258849115138e+02
16 -2.4610027154189740e+02 1.8711434954391689e+02 3.3675371434963506e+02
17 7.2104448971790220e+01 5.9211020756208853e+01 1.1614352282568388e+01
18 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
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20 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
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28 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
29 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
run_energy: 4604.29767615419
run_stress: ! |-
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run_forces: ! |2
1 1.5239538662222483e+02 -8.5304318790181981e+01 9.1857296044358804e+01
2 -1.0967028219095423e+02 5.6694684619133220e+01 -5.3333029655051035e+01
3 2.4083923292691799e+02 4.0545658790486630e+02 -1.0928376525899010e+02
4 2.9004572124849197e+01 3.3433497097463150e+00 -3.9484083494241339e+01
5 5.4495253574218356e+00 -2.3234784690594568e+00 3.6744082833339320e-01
6 -1.0416416920207600e+03 -1.1728713553808166e+03 2.1517006495886761e+02
7 4.6730984467782685e+02 5.0224210584028452e+02 -7.9280667353675966e+01
8 -5.6864896514161364e+02 -3.4977436236350320e+02 -3.0403472535369667e+02
9 4.3781190409126589e+02 4.4179927003638215e+02 -2.1089303274257958e+02
10 -8.5863568189987490e+01 1.0020124487504943e+02 -6.5522998341248922e+01
11 7.1073054117197967e+02 -3.3058374406671203e+02 3.2522201110837969e+01
12 -2.4832249967654064e+01 1.3872033356079328e+02 1.6239068437785096e+02
13 -1.4153451065060841e+02 -3.1548547899029609e+02 -6.6874565279275259e+02
14 -3.7582648536581155e+02 5.2528558881481820e+02 1.8878887552977594e+02
15 4.8083127351494102e+02 -1.6542050766651528e+02 4.8868255420903807e+02
16 -2.5031689931311919e+02 1.8736345330256745e+02 3.3892450313503065e+02
17 7.3962372353081548e+01 6.0656627063443544e+01 1.1874334798142684e+01
18 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
19 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
20 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
21 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
22 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
23 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
24 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
25 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
26 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
27 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
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29 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
...
|
