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 16:48:15      -88.143656         0.248493
BFGS:    1 16:48:15      -88.148455         0.230716
BFGS:    2 16:48:15      -88.152242         0.193622
BFGS:    3 16:48:15      -88.153002         0.178366
BFGS:    4 16:48:15      -88.156371         0.094093
BFGS:    5 16:48:15      -88.157535         0.067453
BFGS:    6 16:48:15      -88.157887         0.015389
BFGS:    7 16:48:15      -88.157906         0.007818
BFGS:    8 16:48:15      -88.157908         0.006991
BFGS:    9 16:48:15      -88.157912         0.005307
BFGS:   10 16:48:15      -88.157917         0.004615
BFGS:   11 16:48:16      -88.157921         0.003025
BFGS:   12 16:48:16      -88.157922         0.000815
BFGS:   13 16:48:16      -88.157922         0.000084
BFGS:   14 16:48:16      -88.157922         0.000006
BFGS:   15 16:48:16      -88.157922         0.000000
BFGS:   16 16:48:16      -88.157922         0.000000
Minimization converged after 16 steps.
Maximum force component: 8.082362945582846e-09 eV/Angstrom
Maximum stress component: 1.4029356807858295e-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 2.32967904e-36 1.87425152e-01]
 [2.80747425e-36 0.00000000e+00 6.87425152e-01]
 [1.31234856e-35 6.45879403e-36 8.12574848e-01]
 [0.00000000e+00 1.36636379e-35 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([[2.5205104832422953, -2.4351240416089365e-20, 5.315089706986997e-38], [-1.2602552416211477, 2.1828261089928187, -5.436763886313616e-37], [-1.0770172451569671e-36, -2.432441459849218e-36, 12.361281017143959]])
forces =  [[ 4.14235871e-32  7.17477575e-32 -8.08236295e-09]
 [-2.07117936e-32  1.79369394e-31 -8.08236295e-09]
 [-1.44982555e-31 -1.07621636e-31  8.08236295e-09]
 [ 8.28471742e-32 -1.43495515e-31  8.08236295e-09]
 [-5.32629694e-47 -7.17477575e-32  6.26808064e-10]
 [ 1.03558968e-31 -3.58738788e-32  6.26808064e-10]
 [ 5.32629694e-47  7.17477575e-32 -6.26808064e-10]
 [-2.07117936e-32 -1.07621636e-31 -6.26808064e-10]
 [ 2.27829729e-31  3.58738788e-32 -6.65197141e-09]
 [ 5.76875389e-46  1.43495515e-31 -6.65197141e-09]
 [-1.08736916e-31 -1.70400924e-31  6.65197141e-09]
 [-5.76875389e-46 -1.43495515e-31  6.65197141e-09]]
stress =  [-4.57897192e-10 -4.57897192e-10 -1.40293568e-09 -1.21816628e-33
  2.10992588e-33  1.40490659e-25]
energy per atom =  -7.346493492383446
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0