element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 22:15:15     -145.216501         1.819996
BFGS:    1 22:15:15     -144.590476         6.481021
BFGS:    2 22:15:15     -145.323161         0.272178
BFGS:    3 22:15:16     -145.329810         0.262418
BFGS:    4 22:15:16     -145.336723         0.239234
BFGS:    5 22:15:16     -145.344651         0.202683
BFGS:    6 22:15:16     -145.360340         0.243272
BFGS:    7 22:15:16     -145.371899         0.183280
BFGS:    8 22:15:16     -145.376255         0.062837
BFGS:    9 22:15:17     -145.376782         0.007010
BFGS:   10 22:15:17     -145.376801         0.000579
BFGS:   11 22:15:17     -145.376801         0.000064
BFGS:   12 22:15:17     -145.376801         0.000004
BFGS:   13 22:15:17     -145.376801         0.000000
BFGS:   14 22:15:17     -145.376801         0.000000
BFGS:   15 22:15:18     -145.376801         0.000000
Minimization converged after 15 steps.
Maximum force component: 3.6399964003600936e-09 eV/Angstrom
Maximum stress component: 3.2313327012099064e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.26380656 0.26380656 0.26380656]
 [0.73619344 0.73619344 0.26380656]
 [0.73619344 0.26380656 0.73619344]
 [0.26380656 0.73619344 0.73619344]
 [0.26380656 0.26380656 0.73619344]
 [0.73619344 0.73619344 0.73619344]
 [0.26380656 0.73619344 0.26380656]
 [0.73619344 0.26380656 0.26380656]
 [0.5        0.15042374 0.15042374]
 [0.5        0.84957626 0.15042374]
 [0.5        0.15042374 0.84957626]
 [0.5        0.84957626 0.84957626]
 [0.15042374 0.5        0.15042374]
 [0.15042374 0.5        0.84957626]
 [0.84957626 0.5        0.15042374]
 [0.84957626 0.5        0.84957626]
 [0.15042374 0.15042374 0.5       ]
 [0.84957626 0.15042374 0.5       ]
 [0.15042374 0.84957626 0.5       ]
 [0.84957626 0.84957626 0.5       ]]
cellpar =  Cell([[5.248835879226697, -2.0489064236990304e-32, 1.6872845475030076e-32], [-4.490533335055521e-32, 5.248835879226697, 7.637620314764967e-19], [-2.0083162562110265e-32, 7.637620314765154e-19, 5.248835879226697]])
forces =  [[-9.87528470e-10 -9.87528470e-10 -9.87528470e-10]
 [ 9.87528470e-10  9.87528470e-10 -9.87528470e-10]
 [ 9.87528470e-10 -9.87528470e-10  9.87528470e-10]
 [-9.87528470e-10  9.87528470e-10  9.87528470e-10]
 [-9.87528470e-10 -9.87528470e-10  9.87528470e-10]
 [ 9.87528470e-10  9.87528470e-10  9.87528470e-10]
 [-9.87528470e-10  9.87528470e-10 -9.87528470e-10]
 [ 9.87528470e-10 -9.87528470e-10 -9.87528470e-10]
 [ 4.50686393e-41 -3.63999640e-09 -3.63999640e-09]
 [-1.72138383e-41  3.63999640e-09 -3.63999640e-09]
 [ 1.72138383e-41 -3.63999640e-09  3.63999640e-09]
 [-4.50686393e-41  3.63999640e-09  3.63999640e-09]
 [-3.63999640e-09 -5.29658597e-28 -3.63999640e-09]
 [-3.63999640e-09  5.29658597e-28  3.63999640e-09]
 [ 3.63999640e-09 -5.29658597e-28 -3.63999640e-09]
 [ 3.63999640e-09  5.29658597e-28  3.63999640e-09]
 [-3.63999640e-09 -3.63999640e-09 -5.29658597e-28]
 [ 3.63999640e-09 -3.63999640e-09 -5.29658597e-28]
 [-3.63999640e-09  3.63999640e-09  5.29658597e-28]
 [ 3.63999640e-09  3.63999640e-09  5.29658597e-28]]
stress =  [-3.23133270e-12 -3.23133270e-12 -3.23133270e-12  1.51712907e-28
 -2.38612505e-33  8.86185205e-50]
energy per atom =  -7.268840072100649
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0