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:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== 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 14:18:55     -145.216501        1.8200
BFGS:    1 14:18:55     -144.590476        6.4810
BFGS:    2 14:18:55     -145.323161        0.2722
BFGS:    3 14:18:55     -145.329810        0.2624
BFGS:    4 14:18:55     -145.336723        0.2392
BFGS:    5 14:18:55     -145.344651        0.2027
BFGS:    6 14:18:55     -145.360340        0.2433
BFGS:    7 14:18:55     -145.371899        0.1833
BFGS:    8 14:18:55     -145.376255        0.0628
BFGS:    9 14:18:55     -145.376782        0.0070
BFGS:   10 14:18:55     -145.376801        0.0006
BFGS:   11 14:18:55     -145.376801        0.0001
BFGS:   12 14:18:55     -145.376801        0.0000
BFGS:   13 14:18:55     -145.376801        0.0000
BFGS:   14 14:18:55     -145.376801        0.0000
BFGS:   15 14:18:55     -145.376801        0.0000
Minimization converged after 15 steps.
Maximum force component: 3.639857206148383e-09 eV/Angstrom
Maximum stress component: 3.230788741724679e-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([[5.248835879226682, 6.130303416943993e-32, 2.577746941250338e-32], [2.419336091082829e-32, 5.248835879226682, 8.062455405714828e-18], [3.1564808003328917e-32, 8.062455405714842e-18, 5.248835879226682]])
forces =  [[-9.87512147e-10 -9.87512147e-10 -9.87512147e-10]
 [ 9.87512147e-10  9.87512147e-10 -9.87512147e-10]
 [ 9.87512147e-10 -9.87512147e-10  9.87512147e-10]
 [-9.87512147e-10  9.87512147e-10  9.87512147e-10]
 [-9.87512147e-10 -9.87512147e-10  9.87512147e-10]
 [ 9.87512147e-10  9.87512147e-10  9.87512147e-10]
 [-9.87512147e-10  9.87512147e-10 -9.87512147e-10]
 [ 9.87512147e-10 -9.87512147e-10 -9.87512147e-10]
 [-3.86660543e-41 -3.63985721e-09 -3.63985721e-09]
 [-5.11180297e-42  3.63985721e-09 -3.63985721e-09]
 [-3.45050119e-31 -3.63985721e-09  3.63985721e-09]
 [-8.62625296e-31  3.63985721e-09  3.63985721e-09]
 [-3.63985721e-09 -5.59167962e-27 -3.63985721e-09]
 [-3.63985721e-09  5.59081700e-27  3.63985721e-09]
 [ 3.63985721e-09 -5.59167962e-27 -3.63985721e-09]
 [ 3.63985721e-09  5.59107579e-27  3.63985721e-09]
 [-3.63985721e-09 -3.63985721e-09 -5.59167962e-27]
 [ 3.63985721e-09 -3.63985721e-09 -5.59098952e-27]
 [-3.63985721e-09  3.63985721e-09  5.59064447e-27]
 [ 3.63985721e-09  3.63985721e-09  5.59064447e-27]]
stress =  [-3.23078874e-12 -3.23078874e-12 -3.23078874e-12  3.39749214e-28
 -7.15837516e-33  1.11354831e-48]
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