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 11:46:14      -21.684692         0.941776
BFGS:    1 11:46:14      -21.737010         0.777061
BFGS:    2 11:46:14      -21.804567         0.444195
BFGS:    3 11:46:14      -21.815834         0.374515
BFGS:    4 11:46:14      -21.875873         0.162624
BFGS:    5 11:46:14      -21.889251         0.069352
BFGS:    6 11:46:14      -21.890424         0.009283
BFGS:    7 11:46:14      -21.890442         0.001953
BFGS:    8 11:46:14      -21.890442         0.000352
BFGS:    9 11:46:14      -21.890442         0.000017
BFGS:   10 11:46:14      -21.890442         0.000000
BFGS:   11 11:46:14      -21.890442         0.000000
BFGS:   12 11:46:14      -21.890442         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.5917571409533829e-10 eV/Angstrom
Maximum stress component: 2.092266857806638e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.         0.         0.        ]
 [0.26747254 0.26747254 0.26747254]
 [0.73252746 0.73252746 0.26747254]
 [0.73252746 0.26747254 0.73252746]
 [0.26747254 0.73252746 0.73252746]]
cellpar =  Cell([[3.961973073645059, -9.660520210763685e-34, -3.877301335194846e-34], [-6.825534640993265e-34, 3.961973073645059, 7.651439262856039e-20], [4.135161639170502e-34, 7.651439262855536e-20, 3.961973073645059]])
forces =  [[ 1.62783628e-32 -3.96917017e-66 -1.59304763e-66]
 [ 1.59175714e-10  1.59175714e-10  1.59175714e-10]
 [-1.59175714e-10 -1.59175714e-10  1.59175714e-10]
 [-1.59175714e-10  1.59175714e-10 -1.59175714e-10]
 [ 1.59175714e-10 -1.59175714e-10 -1.59175714e-10]]
stress =  [-2.09226686e-11 -2.09226686e-11 -2.09226686e-11 -5.55430559e-29
 -4.18789851e-33 -4.84557098e-51]
energy per atom =  -4.378088437715141
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0