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 17:32:45     -145.216501         1.819996
BFGS:    1 17:32:45     -144.590476         6.481021
BFGS:    2 17:32:46     -145.323161         0.272178
BFGS:    3 17:32:46     -145.329810         0.262418
BFGS:    4 17:32:47     -145.336723         0.239234
BFGS:    5 17:32:47     -145.344651         0.202683
BFGS:    6 17:32:48     -145.360340         0.243272
BFGS:    7 17:32:48     -145.371899         0.183280
BFGS:    8 17:32:49     -145.376255         0.062837
BFGS:    9 17:32:49     -145.376782         0.007010
BFGS:   10 17:32:49     -145.376801         0.000579
BFGS:   11 17:32:50     -145.376801         0.000064
BFGS:   12 17:32:51     -145.376801         0.000004
BFGS:   13 17:32:51     -145.376801         0.000000
BFGS:   14 17:32:51     -145.376801         0.000000
BFGS:   15 17:32:52     -145.376801         0.000000
Minimization converged after 15 steps.
Maximum force component: 3.6398294725459314e-09 eV/Angstrom
Maximum stress component: 3.2296251706270312e-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([[5.248835879226683, 1.0606595777423479e-32, 3.493823648426445e-33], [2.3860519451713654e-32, 5.248835879226683, -2.5920559622131884e-18], [4.070242595756211e-34, -2.5920559622131776e-18, 5.248835879226683]])
forces =  [[-9.87518426e-10 -9.87518426e-10 -9.87518426e-10]
 [ 9.87518426e-10  9.87518426e-10 -9.87518426e-10]
 [ 9.87518426e-10 -9.87518426e-10  9.87518426e-10]
 [-9.87518426e-10  9.87518426e-10  9.87518426e-10]
 [-9.87518426e-10 -9.87518426e-10  9.87518426e-10]
 [ 9.87518426e-10  9.87518426e-10  9.87518426e-10]
 [-9.87518426e-10  9.87518426e-10 -9.87518426e-10]
 [ 9.87518426e-10 -9.87518426e-10 -9.87518426e-10]
 [ 2.15656324e-32 -3.63982947e-09 -3.63982947e-09]
 [ 1.62639345e-41  3.63982947e-09 -3.63982947e-09]
 [-2.15656324e-32 -3.63982947e-09  3.63982947e-09]
 [ 2.15656324e-32  3.63982947e-09  3.63982947e-09]
 [-3.63982947e-09  1.79747317e-27 -3.63982947e-09]
 [-3.63982947e-09 -1.79747317e-27  3.63982947e-09]
 [ 3.63982947e-09  1.79747317e-27 -3.63982947e-09]
 [ 3.63982947e-09 -1.79749204e-27  3.63982947e-09]
 [-3.63982947e-09 -3.63982947e-09  1.79745161e-27]
 [ 3.63982947e-09 -3.63982947e-09  1.79746778e-27]
 [-3.63982947e-09  3.63982947e-09 -1.79747317e-27]
 [ 3.63982947e-09  3.63982947e-09 -1.79747317e-27]]
stress =  [-3.22962517e-12 -3.22962517e-12 -3.22962517e-12  2.76596007e-29
  4.77225011e-33 -1.20624846e-49]
energy per atom =  -7.268840072100652
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0