element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
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.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:27:30      -29.606437         0.264200
BFGS:    1 14:27:30      -29.608231         0.211108
BFGS:    2 14:27:30      -29.611382         0.001679
BFGS:    3 14:27:30      -29.611382         0.000014
BFGS:    4 14:27:30      -29.611382         0.000000
Minimization converged after 4 steps.
Maximum force component: 1.0091607576826934e-31 eV/Angstrom
Maximum stress component: 1.2283843626488762e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 8.08789092e-36 2.50000000e-01]
 [1.76890472e-37 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.456185421190223, 1.6404865012248286e-18, 3.536591814774078e-42], [-1.2280927105951116, 2.1271189711557135, -3.536591813277315e-42], [-4.068711312406863e-37, 2.349071589040376e-37, 8.333199999999998]])
forces =  [[-1.00916076e-031  3.49583541e-032 -1.74367439e-073]
 [ 1.13530585e-032 -1.96640742e-032  2.06063744e-067]
 [ 0.00000000e+000  0.00000000e+000  0.00000000e+000]
 [ 6.03667561e-104 -3.48527631e-104 -1.23638227e-066]]
stress =  [ 1.22838436e-10  1.22838436e-10  7.80896604e-85 -3.46273077e-48
  5.99762558e-48 -4.37852351e-27]
energy per atom =  -7.402845523106752
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0