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_KimJungLee_2009_FeTiC__SM_531038274471_000
==== 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     -141.807035        6.2853
BFGS:    1 14:18:55     -144.223440        1.7991
BFGS:    2 14:18:55     -144.866850        0.5329
BFGS:    3 14:18:56     -144.917360        0.3150
BFGS:    4 14:18:56     -144.923112        0.3011
BFGS:    5 14:18:56     -144.935733        0.2580
BFGS:    6 14:18:56     -144.955630        0.3188
BFGS:    7 14:18:56     -144.976239        0.3013
BFGS:    8 14:18:56     -144.988063        0.1227
BFGS:    9 14:18:56     -144.989520        0.0212
BFGS:   10 14:18:56     -144.989610        0.0010
BFGS:   11 14:18:56     -144.989611        0.0001
BFGS:   12 14:18:56     -144.989611        0.0000
BFGS:   13 14:18:56     -144.989611        0.0000
BFGS:   14 14:18:56     -144.989611        0.0000
Minimization converged after 14 steps.
Maximum force component: 1.8529158700349102e-10 eV/Angstrom
Maximum stress component: 1.1862666815521577e-11 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 =  [[0.2675626  0.2675626  0.2675626 ]
 [0.7324374  0.7324374  0.2675626 ]
 [0.7324374  0.2675626  0.7324374 ]
 [0.2675626  0.7324374  0.7324374 ]
 [0.2675626  0.2675626  0.7324374 ]
 [0.7324374  0.7324374  0.7324374 ]
 [0.2675626  0.7324374  0.2675626 ]
 [0.7324374  0.2675626  0.2675626 ]
 [0.5        0.16328401 0.16328401]
 [0.5        0.83671599 0.16328401]
 [0.5        0.16328401 0.83671599]
 [0.5        0.83671599 0.83671599]
 [0.16328401 0.5        0.16328401]
 [0.16328401 0.5        0.83671599]
 [0.83671599 0.5        0.16328401]
 [0.83671599 0.5        0.83671599]
 [0.16328401 0.16328401 0.5       ]
 [0.83671599 0.16328401 0.5       ]
 [0.16328401 0.83671599 0.5       ]
 [0.83671599 0.83671599 0.5       ]]
cellpar =  Cell([[5.17224514110211, -7.532588517581086e-33, -9.76194732353636e-33], [-2.6562207366802685e-32, 5.17224514110211, -1.2573166584131726e-18], [1.4700239069435232e-32, -1.2573166584131917e-18, 5.17224514110211]])
forces =  [[-2.59286386e-11 -2.59286386e-11 -2.59286386e-11]
 [ 2.59286386e-11  2.59286386e-11 -2.59286386e-11]
 [ 2.59286386e-11 -2.59286386e-11  2.59286386e-11]
 [-2.59286386e-11  2.59286386e-11  2.59286386e-11]
 [-2.59286386e-11 -2.59286386e-11  2.59286386e-11]
 [ 2.59286386e-11  2.59286386e-11  2.59286386e-11]
 [-2.59286386e-11  2.59286386e-11 -2.59286386e-11]
 [ 2.59286386e-11 -2.59286386e-11 -2.59286386e-11]
 [-4.24945622e-43  1.85291587e-10  1.85291587e-10]
 [-1.70007583e-31 -1.85291587e-10  1.85291587e-10]
 [-1.47819447e-42  1.85291587e-10 -1.85291587e-10]
 [-2.55011374e-31 -1.85291587e-10 -1.85291587e-10]
 [ 1.85291587e-10 -4.49573700e-29  1.85291587e-10]
 [ 1.85291587e-10  4.51273776e-29 -1.85291587e-10]
 [-1.85291587e-10 -4.48723662e-29  1.85291587e-10]
 [-1.85291587e-10  4.48298643e-29 -1.85291587e-10]
 [ 1.85291587e-10  1.85291587e-10 -4.50423738e-29]
 [-1.85291587e-10  1.85291587e-10 -4.49573700e-29]
 [ 1.85291587e-10 -1.85291587e-10  4.51273776e-29]
 [-1.85291587e-10 -1.85291587e-10  4.48723662e-29]]
stress =  [ 1.18626668e-11  1.18626668e-11  1.18626668e-11 -6.28617751e-28
  2.45731588e-33 -1.01418909e-49]
energy per atom =  -7.249480532369745
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0