element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:16:43      -55.521875        7.3948
BFGS:    1 17:16:43      -57.196283        2.0954
BFGS:    2 17:16:43      -57.303064        1.8930
BFGS:    3 17:16:44      -57.430410        1.5251
BFGS:    4 17:16:44      -57.528920        1.1355
BFGS:    5 17:16:44      -57.597728        0.7268
BFGS:    6 17:16:44      -57.635145        0.2966
BFGS:    7 17:16:44      -57.642016        0.0102
BFGS:    8 17:16:44      -57.642022        0.0066
BFGS:    9 17:16:44      -57.642025        0.0074
BFGS:   10 17:16:44      -57.642031        0.0061
BFGS:   11 17:16:44      -57.642033        0.0033
BFGS:   12 17:16:44      -57.642034        0.0014
BFGS:   13 17:16:44      -57.642034        0.0003
BFGS:   14 17:16:44      -57.642034        0.0000
BFGS:   15 17:16:44      -57.642034        0.0000
BFGS:   16 17:16:44      -57.642034        0.0000
BFGS:   17 17:16:44      -57.642034        0.0000
BFGS:   18 17:16:44      -57.642034        0.0000
Minimization converged after 18 steps.
Maximum force component: 4.221626576085454e-10 eV/Angstrom
Maximum stress component: 4.1723940250133535e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.81054252 0.81054252 0.        ]
 [0.18945748 0.18945748 0.        ]
 [0.18945748 0.81054252 0.        ]
 [0.81054252 0.18945748 0.        ]
 [0.31054252 0.31054252 0.5       ]
 [0.68945748 0.68945748 0.5       ]
 [0.68945748 0.31054252 0.5       ]
 [0.31054252 0.68945748 0.5       ]]
cellpar =  Cell([[4.460634134742956, -6.416443716731586e-37, 5.203656117219386e-34], [-1.182501493900996e-36, 4.460634134742955, 1.539375587736324e-17], [4.8626310274607686e-33, 8.641251221540595e-18, 2.423926029105334]])
forces =  [[-4.22162658e-10 -4.22162658e-10 -1.45689350e-27]
 [ 4.22162658e-10  4.22162658e-10  1.45714746e-27]
 [ 4.22162658e-10 -4.22162658e-10 -1.45711758e-27]
 [-4.22162658e-10  4.22162658e-10  1.45689350e-27]
 [-4.22162658e-10 -4.22162658e-10 -1.45689350e-27]
 [ 4.22162658e-10  4.22162658e-10  1.45713252e-27]
 [ 4.22162658e-10 -4.22162658e-10 -1.45713252e-27]
 [-4.22162658e-10  4.22162658e-10  1.45687856e-27]]
stress =  [2.81281519e-10 2.81281519e-10 4.17239403e-10 2.95340593e-27
 4.55999625e-33 3.19051798e-49]
energy per atom =  -7.205254290306543
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0