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:
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002
==== 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 16:28:19      -55.521875         7.394794
BFGS:    1 16:28:19      -57.196283         2.095370
BFGS:    2 16:28:19      -57.303064         1.893010
BFGS:    3 16:28:19      -57.430410         1.525098
BFGS:    4 16:28:20      -57.528920         1.135486
BFGS:    5 16:28:20      -57.597728         0.726844
BFGS:    6 16:28:20      -57.635145         0.296645
BFGS:    7 16:28:20      -57.642016         0.010174
BFGS:    8 16:28:20      -57.642022         0.006610
BFGS:    9 16:28:20      -57.642025         0.007393
BFGS:   10 16:28:20      -57.642031         0.006102
BFGS:   11 16:28:20      -57.642033         0.003264
BFGS:   12 16:28:20      -57.642034         0.001390
BFGS:   13 16:28:20      -57.642034         0.000281
BFGS:   14 16:28:20      -57.642034         0.000026
BFGS:   15 16:28:20      -57.642034         0.000003
BFGS:   16 16:28:20      -57.642034         0.000000
BFGS:   17 16:28:20      -57.642034         0.000000
BFGS:   18 16:28:20      -57.642034         0.000000
Minimization converged after 18 steps.
Maximum force component: 4.222022156430678e-10 eV/Angstrom
Maximum stress component: 4.17249187914982e-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([[4.460634134742961, 9.280890127774827e-36, -1.569727432811863e-33], [5.7859075342603374e-36, 4.460634134742963, -2.462291627469489e-17], [-5.5804477771950074e-33, -1.407701219050875e-17, 2.423926029105336]])
forces =  [[-4.22202216e-10 -4.22202216e-10  2.33045715e-27]
 [ 4.22202216e-10  4.22202216e-10 -2.33069617e-27]
 [ 4.22202216e-10 -4.22202216e-10  2.33069617e-27]
 [-4.22202216e-10  4.22202216e-10 -2.33045715e-27]
 [-4.22202216e-10 -4.22202216e-10  2.33051691e-27]
 [ 4.22202216e-10  4.22202216e-10 -2.33069617e-27]
 [ 4.22202216e-10 -4.22202216e-10  2.33075592e-27]
 [-4.22202216e-10  4.22202216e-10 -2.33045342e-27]]
stress =  [ 2.81281171e-10  2.81281171e-10  4.17249188e-10 -1.06746358e-25
  5.26449396e-33 -9.52820023e-49]
energy per atom =  -7.205254290306546
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0