element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
MEAM_LAMMPS_NouranianTschoppGwaltney_2014_CH__MO_354152387712_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:29:19      -57.289351         1.928596
BFGS:    1 17:29:19      -57.578920         1.639090
BFGS:    2 17:29:19      -57.814866         1.472925
BFGS:    3 17:29:19      -57.950646         1.366447
BFGS:    4 17:29:19      -58.088083         1.235091
BFGS:    5 17:29:19      -58.227241         1.084575
BFGS:    6 17:29:19      -58.359339         0.992234
BFGS:    7 17:29:19      -58.476219         0.848303
BFGS:    8 17:29:19      -58.571617         0.661660
BFGS:    9 17:29:19      -58.640523         0.438450
BFGS:   10 17:29:19      -58.677937         0.174245
BFGS:   11 17:29:19      -58.682902         0.122131
BFGS:   12 17:29:19      -58.683222         0.116516
BFGS:   13 17:29:19      -58.686485         0.109549
BFGS:   14 17:29:19      -58.688825         0.122257
BFGS:   15 17:29:19      -58.693113         0.115683
BFGS:   16 17:29:19      -58.695681         0.062571
BFGS:   17 17:29:19      -58.696142         0.020776
BFGS:   18 17:29:19      -58.696229         0.001087
BFGS:   19 17:29:19      -58.696230         0.000125
BFGS:   20 17:29:19      -58.696230         0.000003
BFGS:   21 17:29:19      -58.696230         0.000000
BFGS:   22 17:29:19      -58.696230         0.000000
Minimization converged after 22 steps.
Maximum force component: 7.213803929206898e-10 eV/Angstrom
Maximum stress component: 7.520121359269257e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.19594816e-01 8.19594816e-01 1.92353834e-33]
 [1.80405184e-01 1.80405184e-01 0.00000000e+00]
 [1.80405184e-01 8.19594816e-01 1.28235889e-33]
 [8.19594816e-01 1.80405184e-01 8.01474308e-35]
 [3.19594816e-01 3.19594816e-01 5.00000000e-01]
 [6.80405184e-01 6.80405184e-01 5.00000000e-01]
 [6.80405184e-01 3.19594816e-01 5.00000000e-01]
 [3.19594816e-01 6.80405184e-01 5.00000000e-01]]
cellpar =  Cell([[4.083363462061137, -5.74906055722024e-36, -1.0660535811192034e-33], [-1.628734127589458e-35, 4.083363462061136, -8.036765968203824e-18], [-1.4472214515074255e-33, -4.471984780502717e-18, 2.4029840064757986]])
forces =  [[-7.21380393e-10 -7.21380393e-10  1.41977184e-27]
 [ 7.21380393e-10  7.21380393e-10 -1.41980146e-27]
 [ 7.21380393e-10 -7.21380393e-10  1.41980146e-27]
 [-7.21380393e-10  7.21380393e-10 -1.41980146e-27]
 [-7.21380393e-10 -7.21380393e-10  1.41980146e-27]
 [ 7.21380393e-10  7.21380393e-10 -1.41980146e-27]
 [ 7.21380393e-10 -7.21380393e-10  1.41980146e-27]
 [-7.21380393e-10  7.21380393e-10 -1.41980146e-27]]
stress =  [ 2.47981447e-11  2.47981447e-11  7.52012136e-11 -2.22608279e-26
 -7.49709433e-46  2.28023241e-61]
energy per atom =  -7.337028695474925
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0