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_JeongLee_2020_PdC__MO_068985622065_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 16:28:20      -55.521875         7.394793
BFGS:    1 16:28:20      -57.196283         2.095372
BFGS:    2 16:28:20      -57.303064         1.893008
BFGS:    3 16:28:20      -57.430410         1.525099
BFGS:    4 16:28:20      -57.528920         1.135484
BFGS:    5 16:28:20      -57.597728         0.726842
BFGS:    6 16:28:20      -57.635145         0.296643
BFGS:    7 16:28:20      -57.642016         0.010174
BFGS:    8 16:28:20      -57.642022         0.006611
BFGS:    9 16:28:20      -57.642025         0.007394
BFGS:   10 16:28:20      -57.642031         0.006102
BFGS:   11 16:28:20      -57.642033         0.003262
BFGS:   12 16:28:20      -57.642034         0.001389
BFGS:   13 16:28:20      -57.642034         0.000281
BFGS:   14 16:28:20      -57.642034         0.000026
BFGS:   15 16:28:20      -57.642034         0.000003
BFGS:   16 16:28:20      -57.642034         0.000000
BFGS:   17 16:28:20      -57.642034         0.000000
BFGS:   18 16:28:20      -57.642034         0.000000
Minimization converged after 18 steps.
Maximum force component: 4.200036894494795e-10 eV/Angstrom
Maximum stress component: 4.173155185167284e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.10542523e-01 8.10542523e-01 3.97274906e-35]
 [1.89457477e-01 1.89457477e-01 0.00000000e+00]
 [1.89457477e-01 8.10542523e-01 7.94549811e-35]
 [8.10542523e-01 1.89457477e-01 0.00000000e+00]
 [3.10542523e-01 3.10542523e-01 5.00000000e-01]
 [6.89457477e-01 6.89457477e-01 5.00000000e-01]
 [6.89457477e-01 3.10542523e-01 5.00000000e-01]
 [3.10542523e-01 6.89457477e-01 5.00000000e-01]]
cellpar =  Cell([[4.460634101801484, -1.3671470166142634e-35, -2.957114218128714e-38], [-2.5672649243318653e-36, 4.460634101801484, -7.602287414049524e-19], [1.3869692787272893e-33, -4.1728259225634966e-19, 2.4239259983600534]])
forces =  [[-4.20003689e-10 -4.20003689e-10  7.14918676e-29]
 [ 4.20003689e-10  4.20003689e-10 -7.14918676e-29]
 [ 4.20003689e-10 -4.20003689e-10  7.14619904e-29]
 [-4.20003689e-10  4.20003689e-10 -7.17010079e-29]
 [-4.20003689e-10 -4.20003689e-10  7.16412536e-29]
 [ 4.20003689e-10  4.20003689e-10 -7.15217448e-29]
 [ 4.20003689e-10 -4.20003689e-10  7.15814992e-29]
 [-4.20003689e-10  4.20003689e-10 -7.17010079e-29]]
stress =  [ 2.81028314e-10  2.81028314e-10  4.17315519e-10  1.51309238e-26
 -9.11999268e-33 -1.01252259e-48]
energy per atom =  -7.2052542899824745
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0