element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:32:48     -133.532532         1.286568
BFGS:    1 17:32:49     -133.662543         0.558441
BFGS:    2 17:32:49     -133.688329         0.362691
BFGS:    3 17:32:50     -133.697727         0.342501
BFGS:    4 17:32:51     -133.716234         0.282120
BFGS:    5 17:32:51     -133.735309         0.264560
BFGS:    6 17:32:53     -133.757875         0.228228
BFGS:    7 17:32:54     -133.771989         0.153795
BFGS:    8 17:32:54     -133.775500         0.048547
BFGS:    9 17:32:55     -133.775846         0.005260
BFGS:   10 17:32:56     -133.775856         0.001250
BFGS:   11 17:32:56     -133.775857         0.000212
BFGS:   12 17:32:57     -133.775857         0.000033
BFGS:   13 17:32:57     -133.775857         0.000002
BFGS:   14 17:32:58     -133.775857         0.000000
BFGS:   15 17:32:59     -133.775857         0.000000
Minimization converged after 15 steps.
Maximum force component: 3.2257085416257872e-09 eV/Angstrom
Maximum stress component: 8.445147097602684e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.2605991  0.2605991  0.2605991 ]
 [0.7394009  0.7394009  0.2605991 ]
 [0.7394009  0.2605991  0.7394009 ]
 [0.2605991  0.7394009  0.7394009 ]
 [0.2605991  0.2605991  0.7394009 ]
 [0.7394009  0.7394009  0.7394009 ]
 [0.2605991  0.7394009  0.2605991 ]
 [0.7394009  0.2605991  0.2605991 ]
 [0.5        0.15307586 0.15307586]
 [0.5        0.84692414 0.15307586]
 [0.5        0.15307586 0.84692414]
 [0.5        0.84692414 0.84692414]
 [0.15307586 0.5        0.15307586]
 [0.15307586 0.5        0.84692414]
 [0.84692414 0.5        0.15307586]
 [0.84692414 0.5        0.84692414]
 [0.15307586 0.15307586 0.5       ]
 [0.84692414 0.15307586 0.5       ]
 [0.15307586 0.84692414 0.5       ]
 [0.84692414 0.84692414 0.5       ]]
cellpar =  Cell([[5.259577805023655, 1.263383521054836e-32, 5.9354561214093476e-33], [8.276152413782333e-33, 5.259577805023655, -1.7861590024966363e-18], [-5.703238656186788e-33, -1.7861590024966197e-18, 5.259577805023655]])
forces =  [[ 3.19197766e-10  3.19197766e-10  3.19197766e-10]
 [-3.19197766e-10 -3.19197766e-10  3.19197766e-10]
 [-3.19197766e-10  3.19197766e-10 -3.19197766e-10]
 [ 3.19197766e-10 -3.19197766e-10 -3.19197766e-10]
 [ 3.19197766e-10  3.19197766e-10 -3.19197766e-10]
 [-3.19197766e-10 -3.19197766e-10 -3.19197766e-10]
 [ 3.19197766e-10 -3.19197766e-10  3.19197766e-10]
 [-3.19197766e-10  3.19197766e-10  3.19197766e-10]
 [ 1.57797264e-42  3.22570854e-09  3.22570854e-09]
 [ 1.51268371e-31 -3.22570854e-09  3.22570854e-09]
 [ 8.57358572e-42  3.22570854e-09 -3.22570854e-09]
 [ 1.72878138e-31 -3.22570854e-09 -3.22570854e-09]
 [ 3.22570854e-09 -1.09534648e-27  3.22570854e-09]
 [ 3.22570854e-09  1.09580029e-27 -3.22570854e-09]
 [-3.22570854e-09 -1.09536809e-27  3.22570854e-09]
 [-3.22570854e-09  1.09545453e-27 -3.22570854e-09]
 [ 3.22570854e-09  3.22570854e-09 -1.09536809e-27]
 [-3.22570854e-09  3.22570854e-09 -1.09528166e-27]
 [ 3.22570854e-09 -3.22570854e-09  1.09545453e-27]
 [-3.22570854e-09 -3.22570854e-09  1.09536809e-27]]
stress =  [8.44514710e-11 8.44514710e-11 8.44514710e-11 3.94494948e-28
 4.15867966e-33 9.37412089e-51]
energy per atom =  -6.688792832767301
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0