element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:48:37      -58.276686         1.898268
BFGS:    1 15:48:38      -58.399765         1.755136
BFGS:    2 15:48:38      -58.584823         1.482305
BFGS:    3 15:48:38      -58.735883         1.200502
BFGS:    4 15:48:38      -58.855149         0.910993
BFGS:    5 15:48:38      -58.941137         0.613254
BFGS:    6 15:48:38      -58.992030         0.307166
BFGS:    7 15:48:38      -59.006639         0.027290
BFGS:    8 15:48:38      -59.006688         0.028420
BFGS:    9 15:48:38      -59.006738         0.028258
BFGS:   10 15:48:38      -59.006780         0.022130
BFGS:   11 15:48:39      -59.006824         0.013385
BFGS:   12 15:48:39      -59.006839         0.006160
BFGS:   13 15:48:39      -59.006841         0.000885
BFGS:   14 15:48:39      -59.006841         0.000131
BFGS:   15 15:48:39      -59.006841         0.000063
BFGS:   16 15:48:39      -59.006841         0.000001
BFGS:   17 15:48:39      -59.006841         0.000000
BFGS:   18 15:48:39      -59.006841         0.000000
Minimization converged after 18 steps.
Maximum force component: 6.926432094545023e-09 eV/Angstrom
Maximum stress component: 1.0106578218573266e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.36637163e-35 0.00000000e+00 9.37500000e-02]
 [0.00000000e+00 6.46394242e-35 5.93750000e-01]
 [0.00000000e+00 1.09595639e-34 9.06250000e-01]
 [0.00000000e+00 0.00000000e+00 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.439354710662868, -1.2440620051497885e-17, 4.9144072347591355e-36], [-1.219677355331434, 2.1125431482752823, 9.896455129164616e-36], [1.5603850108543278e-35, 4.268798110263136e-35, 7.966899123648793]])
forces =  [[-2.40538946e-31 -1.38875225e-31  6.92643209e-09]
 [-3.20718594e-31  1.38875225e-31  6.92643209e-09]
 [-3.20718594e-31 -3.71113487e-44 -6.92643209e-09]
 [ 3.20718594e-31 -1.38875225e-31 -6.92643209e-09]
 [ 8.01796486e-32  4.16625675e-31  2.46410753e-09]
 [ 5.61257540e-31 -1.38875225e-31  2.46410753e-09]
 [-4.81077891e-31  2.77750450e-31 -2.46410753e-09]
 [ 4.81077891e-31 -2.77750450e-31 -2.46410753e-09]]
stress =  [-8.78016676e-10 -8.78016676e-10 -1.01065782e-09 -6.83537475e-33
 -1.69131662e-33  3.71411162e-26]
energy per atom =  -7.37585518375999
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0