element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:43:23      -57.151660        4.5928
BFGS:    1 16:43:23      -57.474035        2.1245
BFGS:    2 16:43:23      -57.559012        0.3708
BFGS:    3 16:43:23      -57.562127        0.3646
BFGS:    4 16:43:23      -57.569458        0.2655
BFGS:    5 16:43:23      -57.573762        0.1985
BFGS:    6 16:43:23      -57.575738        0.0829
BFGS:    7 16:43:23      -57.575991        0.0468
BFGS:    8 16:43:23      -57.576059        0.0361
BFGS:    9 16:43:23      -57.576143        0.0313
BFGS:   10 16:43:23      -57.576267        0.0391
BFGS:   11 16:43:23      -57.576361        0.0257
BFGS:   12 16:43:23      -57.576398        0.0173
BFGS:   13 16:43:23      -57.576410        0.0157
BFGS:   14 16:43:23      -57.576421        0.0135
BFGS:   15 16:43:23      -57.576441        0.0153
BFGS:   16 16:43:23      -57.576462        0.0130
BFGS:   17 16:43:23      -57.576471        0.0053
BFGS:   18 16:43:23      -57.576473        0.0007
BFGS:   19 16:43:23      -57.576473        0.0001
BFGS:   20 16:43:23      -57.576473        0.0000
BFGS:   21 16:43:23      -57.576473        0.0000
BFGS:   22 16:43:23      -57.576473        0.0000
BFGS:   23 16:43:23      -57.576473        0.0000
BFGS:   24 16:43:23      -57.576473        0.0000
BFGS:   25 16:43:23      -57.576473        0.0000
Minimization converged after 25 steps.
Maximum force component: 4.297042022986113e-09 eV/Angstrom
Maximum stress component: 6.653193658068514e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.90564244e-01 4.17539265e-35 0.00000000e+00]
 [4.09435756e-01 0.00000000e+00 1.50786539e-35]
 [9.05642435e-02 5.00000000e-01 0.00000000e+00]
 [9.09435756e-01 5.00000000e-01 1.20370565e-35]
 [6.86650433e-01 8.71402809e-37 5.00000000e-01]
 [3.13349567e-01 0.00000000e+00 5.00000000e-01]
 [1.86650433e-01 5.00000000e-01 5.00000000e-01]
 [8.13349567e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.85445192505535, -4.409470440122007e-37, 0.0], [-2.886360770246024e-36, 2.6908447225900036, 0.0], [0.0, 0.0, 2.4882136707923617]])
forces =  [[ 4.29704202e-09  1.99003332e-31  2.45356811e-31]
 [-4.29704202e-09  6.63344439e-32  0.00000000e+00]
 [ 4.29704202e-09 -3.31672219e-31  4.90713622e-31]
 [-4.29704202e-09  1.32668888e-31  0.00000000e+00]
 [-1.38395511e-09 -2.65337775e-31  0.00000000e+00]
 [ 1.38395511e-09 -4.14590274e-31  0.00000000e+00]
 [-1.38395511e-09 -1.99003332e-31  0.00000000e+00]
 [ 1.38395511e-09 -1.32668888e-31  0.00000000e+00]]
stress =  [6.65319366e-11 6.53398464e-11 1.60419447e-11 0.00000000e+00
 0.00000000e+00 6.31401881e-47]
energy per atom =  -7.197059083243597
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0