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_LeeLee_2005_C__MO_996970420049_001
==== 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 17:17:13      -55.521875        7.3948
BFGS:    1 17:17:13      -57.198186        2.0702
BFGS:    2 17:17:13      -57.303820        1.8739
BFGS:    3 17:17:13      -57.430320        1.5158
BFGS:    4 17:17:13      -57.528454        1.1343
BFGS:    5 17:17:13      -57.597401        0.7294
BFGS:    6 17:17:13      -57.635070        0.2996
BFGS:    7 17:17:13      -57.642004        0.0130
BFGS:    8 17:17:13      -57.642013        0.0089
BFGS:    9 17:17:13      -57.642019        0.0101
BFGS:   10 17:17:13      -57.642028        0.0085
BFGS:   11 17:17:13      -57.642033        0.0048
BFGS:   12 17:17:13      -57.642035        0.0022
BFGS:   13 17:17:13      -57.642035        0.0005
BFGS:   14 17:17:13      -57.642035        0.0000
BFGS:   15 17:17:13      -57.642035        0.0000
BFGS:   16 17:17:13      -57.642035        0.0000
BFGS:   17 17:17:13      -57.642035        0.0000
BFGS:   18 17:17:13      -57.642035        0.0000
Minimization converged after 18 steps.
Maximum force component: 1.3337746462838147e-09 eV/Angstrom
Maximum stress component: 7.559580398268643e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.10542493e-01 8.10542493e-01 0.00000000e+00]
 [1.89457507e-01 1.89457507e-01 7.94549468e-35]
 [1.89457507e-01 8.10542493e-01 0.00000000e+00]
 [8.10542493e-01 1.89457507e-01 7.94549468e-35]
 [3.10542493e-01 3.10542493e-01 5.00000000e-01]
 [6.89457507e-01 6.89457507e-01 5.00000000e-01]
 [6.89457507e-01 3.10542493e-01 5.00000000e-01]
 [3.10542493e-01 6.89457507e-01 5.00000000e-01]]
cellpar =  Cell([[4.460632993332811, -4.024062544816735e-36, 5.1549000081960124e-33], [-4.747648524775844e-36, 4.460632993332811, -5.3225513377902856e-18], [-2.2129609365211285e-32, -2.956441879022714e-18, 2.4239270449692216]])
forces =  [[-1.33377465e-09 -1.33377465e-09  1.59155675e-27]
 [ 1.33377465e-09  1.33377465e-09 -1.59155675e-27]
 [ 1.33377465e-09 -1.33377465e-09  1.59149700e-27]
 [-1.33377465e-09  1.33377465e-09 -1.59152688e-27]
 [-1.33377465e-09 -1.33377465e-09  1.59161651e-27]
 [ 1.33377465e-09  1.33377465e-09 -1.59173602e-27]
 [ 1.33377465e-09 -1.33377465e-09  1.59148206e-27]
 [-1.33377465e-09  1.33377465e-09 -1.59161651e-27]]
stress =  [ 6.04905188e-10  6.04905188e-10  7.55958040e-10 -1.19838688e-25
 -4.55999550e-33 -3.63000105e-49]
energy per atom =  -7.205254380938712
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0