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:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== 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 13:16:42      -12.071441         0.509429
BFGS:    1 13:16:42      -12.079210         0.434519
BFGS:    2 13:16:42      -12.099045         0.106871
BFGS:    3 13:16:42      -12.099703         0.115548
BFGS:    4 13:16:42      -12.099959         0.111144
BFGS:    5 13:16:42      -12.102036         0.032992
BFGS:    6 13:16:42      -12.102163         0.013457
BFGS:    7 13:16:42      -12.102178         0.000437
BFGS:    8 13:16:42      -12.102178         0.000004
BFGS:    9 13:16:42      -12.102178         0.000000
Minimization converged after 9 steps.
Maximum force component: 9.683972131379836e-32 eV/Angstrom
Maximum stress component: 4.410901014714757e-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 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 7.08254479e-37]]
cellpar =  Cell([[3.9282857871798704, -3.391384905900698e-18, 8.13915274642788e-37], [-1.9641428935899352, 3.4019952850231188, 8.818892708167967e-37], [7.2977525702853e-38, -3.3705417606983675e-37, 2.4619337870041167]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-9.68397213e-32  5.59104392e-32 -2.52880640e-33]
 [ 9.68397213e-32 -5.59104392e-32  2.52880640e-33]]
stress =  [-3.29452412e-10 -3.29452412e-10 -4.41090101e-10  3.06597879e-35
  4.29462026e-47  4.59754170e-26]
energy per atom =  -4.034059345252595
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0