element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:24:08      -59.302917         0.172371
BFGS:    1 15:24:08      -59.304138         0.158228
BFGS:    2 15:24:08      -59.310580         0.003386
BFGS:    3 15:24:08      -59.310583         0.000065
BFGS:    4 15:24:08      -59.310583         0.000000
BFGS:    5 15:24:08      -59.310583         0.000000
Minimization converged after 5 steps.
Maximum force component: 6.142476942882342e-31 eV/Angstrom
Maximum stress component: 3.464657068594992e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.75901682e-32 4.55576008e-33]
 [5.64939450e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.14368311e-35]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.5595495239007366, 1.352899773100942e-34, -1.0314522179445295e-33], [-4.328499108006184e-34, 3.5595495239007366, -1.6727167614682636e-20], [5.26365893651991e-35, -1.6727167614682636e-20, 3.5595495239007366]])
forces =  [[-1.46249451e-31  4.09498463e-31 -1.16999561e-31]
 [-4.38748353e-31 -4.89935661e-31 -3.27118889e-31]
 [ 7.31247255e-32 -2.19374177e-31  5.26498024e-31]
 [ 4.89935661e-31  2.33999122e-31 -1.97436759e-31]
 [-4.09498463e-31 -8.77496706e-32 -1.16999561e-31]
 [ 3.19006615e-31 -5.84997804e-31 -2.92498902e-31]
 [-1.31624506e-31  6.14247694e-31  1.46249451e-31]
 [ 1.46249451e-31  1.59046278e-31  5.84997804e-32]]
stress =  [-3.46465707e-14 -3.46465707e-14 -3.46465707e-14  7.32614288e-30
 -2.78546160e-64 -3.87850539e-64]
energy per atom =  -7.413822837832269
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0