element(s):
['C']
AFLOW prototype label:
A_oC8_67_m
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.41667285 0.24954517]]
spacegroup =  67
cell =  [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:45:23      -59.212741        0.2668
BFGS:    1 16:45:23      -59.214661        0.2401
BFGS:    2 16:45:23      -59.222763        0.0028
BFGS:    3 16:45:23      -59.222764        0.0006
BFGS:    4 16:45:23      -59.222764        0.0006
BFGS:    5 16:45:23      -59.222764        0.0001
BFGS:    6 16:45:23      -59.222764        0.0000
BFGS:    7 16:45:23      -59.222764        0.0000
BFGS:    8 16:45:23      -59.222764        0.0000
Minimization converged after 8 steps.
Maximum force component: 8.013064066447752e-10 eV/Angstrom
Maximum stress component: 3.7917768543093593e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 4.16666667e-01 2.49545170e-01]
 [0.00000000e+00 8.33333334e-02 2.49545170e-01]
 [0.00000000e+00 9.16666667e-01 7.50454830e-01]
 [4.04076183e-39 5.83333333e-01 7.50454830e-01]
 [5.00000000e-01 9.16666667e-01 2.49545170e-01]
 [5.00000000e-01 5.83333333e-01 2.49545170e-01]
 [5.00000000e-01 4.16666667e-01 7.50454830e-01]
 [5.00000000e-01 8.33333334e-02 7.50454830e-01]]
cellpar =  Cell([[2.456185420616706, -3.036036953156434e-40, 0.0], [-6.486398103441737e-45, 4.254237943080703, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[-1.81648936e-31 -8.01306407e-10  0.00000000e+00]
 [ 2.42198582e-31  8.01306407e-10  0.00000000e+00]
 [ 1.22174463e-54 -8.01306407e-10  0.00000000e+00]
 [ 1.21099291e-31  8.01306407e-10  0.00000000e+00]
 [-2.42198582e-31 -8.01306407e-10  0.00000000e+00]
 [ 1.21099291e-31  8.01306407e-10  0.00000000e+00]
 [-1.21099291e-31 -8.01306407e-10  0.00000000e+00]
 [ 1.21099291e-31  8.01306407e-10  0.00000000e+00]]
stress =  [-3.79177685e-10  3.50308249e-10  0.00000000e+00  0.00000000e+00
  0.00000000e+00 -2.18046424e-54]
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