element(s):
['C']
AFLOW prototype label:
A_hP12_194_bc2f
Parameter names:
['a', 'c/a', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4678', '13.950077', '0.86916696', '0.13083843']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.86916696]
 [0.33333333 0.66666667 0.13083843]]
spacegroup =  194
cell =  [[2.4678, 0, 0], [-1.2339, 2.1371774914592, 0], [0, 0, 34.426]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:21:22      -88.819048         0.266481
BFGS:    1 15:21:22      -88.821011         0.248669
BFGS:    2 15:21:22      -88.833866         0.084981
BFGS:    3 15:21:22      -88.834115         0.029742
BFGS:    4 15:21:22      -88.834146         0.000037
BFGS:    5 15:21:22      -88.834146         0.000000
BFGS:    6 15:21:22      -88.834146         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.4668266247765648e-09 eV/Angstrom
Maximum stress component: 3.755812109670991e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.00218546e-36 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 1.64875174e-35 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 8.69164265e-01]
 [6.66666667e-01 3.33333333e-01 3.69164265e-01]
 [6.66666667e-01 3.33333333e-01 1.30835735e-01]
 [3.33333333e-01 6.66666667e-01 6.30835735e-01]
 [3.33333333e-01 6.66666667e-01 1.30835735e-01]
 [6.66666667e-01 3.33333333e-01 6.30835735e-01]
 [6.66666667e-01 3.33333333e-01 8.69164265e-01]
 [3.33333333e-01 6.66666667e-01 3.69164265e-01]]
cellpar =  Cell([[2.456185421107856, 2.3493238272211632e-18, 6.712143308086093e-45], [-1.228092710553928, 2.1271189710843825, 2.847016714711296e-41], [-2.0420341294081155e-37, -5.871807761171093e-37, 34.42599788330582]])
forces =  [[-1.61465721e-31  1.39833416e-31 -5.44823973e-65]
 [ 2.42198582e-31 -1.39833416e-31 -1.87114224e-72]
 [ 5.65130024e-31 -4.19500249e-31 -5.61386797e-72]
 [-4.84397164e-31  1.39833416e-31  1.87048037e-72]
 [-2.01832152e-31 -6.99167082e-32  1.46682662e-09]
 [ 2.82565012e-31 -1.39833416e-31  1.46682662e-09]
 [ 3.02748227e-31 -1.74791771e-31 -1.46682662e-09]
 [ 8.07328606e-32  1.39833416e-31 -1.46682662e-09]
 [ 1.41282506e-31  3.49583541e-31  1.46682662e-09]
 [ 1.61465721e-31 -2.79666833e-31  1.46682662e-09]
 [ 3.43114658e-31 -6.99167082e-32 -1.46682662e-09]
 [ 7.03600244e-48 -2.79666833e-31 -1.46682662e-09]]
stress =  [-3.75581211e-11 -3.75581211e-11  8.14605714e-22 -6.40602556e-49
 -2.22781866e-49  6.87861310e-27]
energy per atom =  -7.402845523106751
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0