element(s):
['C', 'Fe']
AFLOW prototype label:
AB4_cP5_215_a_e
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.088', '0.26455447']
model name:
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Fe']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.26455447 0.26455447 0.26455447]]
spacegroup =  215
cell =  [[4.088, 0, 0], [0, 4.088, 0], [0, 0, 4.088]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:02:49      -21.684692         0.941776
BFGS:    1 16:02:49      -21.737010         0.777062
BFGS:    2 16:02:49      -21.804567         0.444195
BFGS:    3 16:02:49      -21.815834         0.374515
BFGS:    4 16:02:49      -21.875873         0.162624
BFGS:    5 16:02:49      -21.889251         0.069352
BFGS:    6 16:02:49      -21.890424         0.009283
BFGS:    7 16:02:49      -21.890442         0.001953
BFGS:    8 16:02:49      -21.890442         0.000352
BFGS:    9 16:02:49      -21.890442         0.000017
BFGS:   10 16:02:49      -21.890442         0.000000
BFGS:   11 16:02:49      -21.890442         0.000000
BFGS:   12 16:02:49      -21.890442         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.591663865007605e-10 eV/Angstrom
Maximum stress component: 2.0922102117417935e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+000 2.20531033e-102 5.52177396e-085]
 [2.67472539e-001 2.67472539e-001 2.67472539e-001]
 [7.32527461e-001 7.32527461e-001 2.67472539e-001]
 [7.32527461e-001 2.67472539e-001 7.32527461e-001]
 [2.67472539e-001 7.32527461e-001 7.32527461e-001]]
cellpar =  Cell([[3.9619730736450642, 2.774348270441925e-32, -2.3785559776166138e-33], [-7.256822864825586e-33, 3.9619730736450642, -1.5823502001372052e-17], [5.529865704157618e-33, -1.5823502001372077e-17, 3.9619730736450642]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.59166387e-10  1.59166387e-10  1.59166387e-10]
 [-1.59166387e-10 -1.59166387e-10  1.59166387e-10]
 [-1.59166387e-10  1.59166387e-10 -1.59166387e-10]
 [ 1.59166387e-10 -1.59166387e-10 -1.59166387e-10]]
stress =  [-2.09221021e-11 -2.09221021e-11 -2.09221021e-11 -1.08620464e-27
  2.09394925e-33  2.66211554e-50]
energy per atom =  -4.378088437715135
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0