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:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== 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 17:47:14      -21.684692         0.941776
BFGS:    1 17:47:14      -21.737010         0.777061
BFGS:    2 17:47:14      -21.804567         0.444195
BFGS:    3 17:47:14      -21.815834         0.374515
BFGS:    4 17:47:15      -21.875873         0.162624
BFGS:    5 17:47:15      -21.889251         0.069352
BFGS:    6 17:47:15      -21.890424         0.009283
BFGS:    7 17:47:15      -21.890442         0.001953
BFGS:    8 17:47:15      -21.890442         0.000352
BFGS:    9 17:47:15      -21.890442         0.000017
BFGS:   10 17:47:16      -21.890442         0.000000
BFGS:   11 17:47:16      -21.890442         0.000000
BFGS:   12 17:47:16      -21.890442         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.5919197934150499e-10 eV/Angstrom
Maximum stress component: 2.0923697441916488e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 4.15757098e-84 0.00000000e+00]
 [2.67472539e-01 2.67472539e-01 2.67472539e-01]
 [7.32527461e-01 7.32527461e-01 2.67472539e-01]
 [7.32527461e-01 2.67472539e-01 7.32527461e-01]
 [2.67472539e-01 7.32527461e-01 7.32527461e-01]]
cellpar =  Cell([[3.9619730736450585, 9.725728063404541e-33, -2.3798747677176132e-33], [2.8320493933730713e-33, 3.9619730736450585, -1.3042452510668185e-18], [-1.942182932883225e-33, -1.3042452510668204e-18, 3.9619730736450585]])
forces =  [[ 1.30226903e-31  1.30226903e-31  1.30226903e-31]
 [ 1.59191979e-10  1.59191979e-10  1.59191979e-10]
 [-1.59191979e-10 -1.59191979e-10  1.59191979e-10]
 [-1.59191979e-10  1.59191979e-10 -1.59191979e-10]
 [ 1.59191979e-10 -1.59191979e-10 -1.59191979e-10]]
stress =  [-2.09236974e-11 -2.09236974e-11 -2.09236974e-11 -1.58784750e-27
 -1.04697463e-33 -7.23618732e-50]
energy per atom =  -4.378088437715139
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0