element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:32:00      -88.143656        0.2485
BFGS:    1 14:32:00      -88.148455        0.2307
BFGS:    2 14:32:00      -88.152242        0.1936
BFGS:    3 14:32:00      -88.153002        0.1784
BFGS:    4 14:32:00      -88.156371        0.0941
BFGS:    5 14:32:00      -88.157535        0.0675
BFGS:    6 14:32:00      -88.157887        0.0154
BFGS:    7 14:32:00      -88.157906        0.0078
BFGS:    8 14:32:00      -88.157908        0.0070
BFGS:    9 14:32:00      -88.157912        0.0053
BFGS:   10 14:32:00      -88.157917        0.0046
BFGS:   11 14:32:00      -88.157921        0.0030
BFGS:   12 14:32:00      -88.157922        0.0008
BFGS:   13 14:32:00      -88.157922        0.0001
BFGS:   14 14:32:00      -88.157922        0.0000
BFGS:   15 14:32:00      -88.157922        0.0000
BFGS:   16 14:32:00      -88.157922        0.0000
Minimization converged after 16 steps.
Maximum force component: 8.082284008725793e-09 eV/Angstrom
Maximum stress component: 1.4029372242447048e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 1.87425152e-01]
 [3.87266614e-35 0.00000000e+00 6.87425152e-01]
 [1.36232415e-35 0.00000000e+00 8.12574848e-01]
 [0.00000000e+00 8.97682983e-36 3.12574848e-01]
 [3.33333333e-01 6.66666667e-01 5.20824948e-01]
 [6.66666667e-01 3.33333333e-01 2.08249481e-02]
 [6.66666667e-01 3.33333333e-01 4.79175052e-01]
 [3.33333333e-01 6.66666667e-01 9.79175052e-01]
 [3.33333333e-01 6.66666667e-01 6.45656898e-01]
 [6.66666667e-01 3.33333333e-01 1.45656898e-01]
 [6.66666667e-01 3.33333333e-01 3.54343102e-01]
 [3.33333333e-01 6.66666667e-01 8.54343102e-01]]
cellpar =  Cell([[2.5205104832422944, -1.0644901241182023e-19, -6.248461411660846e-38], [-1.2602552416211472, 2.182826108992818, -6.918450420121937e-38], [3.940980722200533e-39, 3.070286429070596e-38, 12.361281017143959]])
forces =  [[ 8.28471742e-32 -1.43495515e-31 -8.08228401e-09]
 [-1.03558968e-32 -2.00742838e-47 -8.08228401e-09]
 [-1.44982555e-31  1.07621636e-31  8.08228401e-09]
 [ 1.03558968e-31 -7.17477575e-32  8.08228401e-09]
 [-4.34947665e-31  2.51117151e-31  6.26866579e-10]
 [ 6.52421497e-31 -1.25558576e-31  6.26866579e-10]
 [ 3.93524078e-31 -1.79369394e-31 -6.26866579e-10]
 [-5.69574323e-31 -1.79369394e-32 -6.26866579e-10]
 [ 3.71517797e-31 -6.72635227e-32 -6.65203391e-09]
 [-8.28471742e-32  1.43495515e-31 -6.65203391e-09]
 [-4.14235871e-31  1.65397703e-47  6.65203391e-09]
 [ 4.55659458e-31 -7.17477575e-32  6.65203391e-09]]
stress =  [-4.57898984e-10 -4.57898984e-10 -1.40293722e-09 -5.75076786e-46
 -2.11880536e-46 -1.82889474e-26]
energy per atom =  -7.346493492383445
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0