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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_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 15:41:28      -58.659324        0.5021
BFGS:    1 15:41:28      -58.670472        0.4684
BFGS:    2 15:41:28      -58.675938        0.3916
BFGS:    3 15:41:28      -58.680980        0.2763
BFGS:    4 15:41:28      -58.687079        0.1521
BFGS:    5 15:41:28      -58.688793        0.0536
BFGS:    6 15:41:28      -58.688959        0.0125
BFGS:    7 15:41:28      -58.688967        0.0109
BFGS:    8 15:41:28      -58.688973        0.0095
BFGS:    9 15:41:28      -58.688983        0.0048
BFGS:   10 15:41:28      -58.688987        0.0027
BFGS:   11 15:41:28      -58.688988        0.0006
BFGS:   12 15:41:28      -58.688988        0.0000
BFGS:   13 15:41:29      -58.688988        0.0000
BFGS:   14 15:41:29      -58.688988        0.0000
BFGS:   15 15:41:29      -58.688988        0.0000
Minimization converged after 15 steps.
Maximum force component: 9.700523162514685e-10 eV/Angstrom
Maximum stress component: 1.195890385003786e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.98119155e-35 0.00000000e+00 9.37459201e-02]
 [0.00000000e+00 1.18481243e-35 5.93745920e-01]
 [0.00000000e+00 0.00000000e+00 9.06254080e-01]
 [8.70696823e-36 0.00000000e+00 4.06254080e-01]
 [3.33333333e-01 6.66666667e-01 6.56248791e-01]
 [6.66666667e-01 3.33333333e-01 1.56248791e-01]
 [6.66666667e-01 3.33333333e-01 3.43751209e-01]
 [3.33333333e-01 6.66666667e-01 8.43751209e-01]]
cellpar =  Cell([[2.5170532315302907, 3.6006376135589404e-20, -3.4331086784264857e-37], [-1.2585266157651454, 2.1798320411829453, -3.4989626827653543e-37], [5.280309943550486e-37, -2.2073177440189666e-37, 8.220805075042836]])
forces =  [[-6.61868297e-31  2.60368093e-47 -9.70052316e-10]
 [ 1.15826952e-30  2.86597380e-31 -9.70052316e-10]
 [-2.89567380e-31 -7.16493449e-32  9.70052316e-10]
 [ 8.27335371e-32 -1.43298690e-31  9.70052316e-10]
 [-3.30934148e-31  5.73194759e-31  3.17718990e-10]
 [-3.30934148e-31 -8.53561094e-48  3.17718990e-10]
 [ 3.30934148e-31 -5.73194759e-31 -3.17718990e-10]
 [-1.07553598e-30  1.43298690e-31 -3.17718990e-10]]
stress =  [ 2.37977773e-11  2.37977773e-11 -1.19589039e-10  2.87536823e-45
  9.87907533e-46 -4.32345420e-27]
energy per atom =  -7.336123500361299
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0