element(s):
['C', 'Fe']
AFLOW prototype label:
AB2_hP3_191_a_c
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:
['3.9831', '0.6320956']
model name:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Fe']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.        ]]
spacegroup =  191
cell =  [[3.9831, 0, 0], [-1.99155, 3.4494657858138, 0], [0, 0, 2.5177]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 22:12:59      -12.071441         0.509429
BFGS:    1 22:12:59      -12.079210         0.434519
BFGS:    2 22:12:59      -12.099045         0.106871
BFGS:    3 22:12:59      -12.099703         0.115548
BFGS:    4 22:12:59      -12.099959         0.111144
BFGS:    5 22:12:59      -12.102036         0.032992
BFGS:    6 22:12:59      -12.102163         0.013457
BFGS:    7 22:13:00      -12.102178         0.000437
BFGS:    8 22:13:00      -12.102178         0.000004
BFGS:    9 22:13:00      -12.102178         0.000000
Minimization converged after 9 steps.
Maximum force component: 3.349040362102175e-31 eV/Angstrom
Maximum stress component: 4.410929673957198e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.33333333e-01 6.66666667e-01 1.03443503e-36]
 [6.66666667e-01 3.33333333e-01 0.00000000e+00]]
cellpar =  Cell([[3.928285787179849, -9.751291804154268e-18, 7.7592953594731e-37], [-1.9641428935899246, 3.4019952850230997, 3.507898071918476e-37], [4.800647680104749e-37, 1.178992562934105e-35, 2.461933787004085]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.77539489e-31  8.38656588e-32 -1.68565501e-68]
 [ 3.34904036e-31 -1.32787293e-31  3.73162820e-68]]
stress =  [-3.29454638e-10 -3.29454638e-10 -4.41092967e-10  6.89845228e-35
  1.32760776e-35 -5.94626022e-26]
energy per atom =  -4.034059345252596
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0