element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:22:07      -29.492329        0.3425
BFGS:    1 15:22:07      -29.495654        0.2724
BFGS:    2 15:22:07      -29.502304        0.1452
BFGS:    3 15:22:07      -29.502643        0.1452
BFGS:    4 15:22:07      -29.509933        0.1433
BFGS:    5 15:22:07      -29.517044        0.1396
BFGS:    6 15:22:07      -29.523906        0.1338
BFGS:    7 15:22:07      -29.530413        0.1255
BFGS:    8 15:22:07      -29.536433        0.1143
BFGS:    9 15:22:07      -29.541812        0.0997
BFGS:   10 15:22:07      -29.546367        0.0812
BFGS:   11 15:22:07      -29.549889        0.0583
BFGS:   12 15:22:07      -29.552137        0.0301
BFGS:   13 15:22:07      -29.552833        0.0040
BFGS:   14 15:22:07      -29.552843        0.0021
BFGS:   15 15:22:07      -29.552844        0.0009
BFGS:   16 15:22:07      -29.552844        0.0000
BFGS:   17 15:22:07      -29.552844        0.0000
BFGS:   18 15:22:07      -29.552844        0.0000
Minimization converged after 18 steps.
Maximum force component: 4.8424252196526495e-31 eV/Angstrom
Maximum stress component: 9.265064761631042e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 4.18818841e-36 2.50000000e-01]
 [5.98828946e-36 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.4554012945011987, 4.640086858521134e-19, -7.084119660377604e-33], [-1.2277006472505994, 2.126439897523234, -1.4167343161463908e-32], [-2.1803890451467443e-32, -6.294008163066285e-32, 7.269024803590061]])
forces =  [[ 4.84242522e-31 -2.79577550e-31  9.31279684e-64]
 [-4.84242522e-31  2.79577550e-31 -3.73323534e-32]
 [-2.01767717e-31  6.98943876e-32  2.94560429e-68]
 [-2.42121261e-31  1.39788775e-31 -3.73323534e-32]]
stress =  [ 9.26506476e-10  9.26506476e-10 -1.65421442e-10  5.31618308e-33
  1.84157984e-33  7.75338125e-27]
energy per atom =  -7.388210937173368
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0