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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_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 13:23:29      -10.901172        1.6826
BFGS:    1 13:23:29      -10.995540        1.4703
BFGS:    2 13:23:29      -11.152641        0.9411
BFGS:    3 13:23:29      -11.244680        0.6117
BFGS:    4 13:23:29      -11.263105        0.3744
BFGS:    5 13:23:29      -11.266497        0.3544
BFGS:    6 13:23:29      -11.279451        0.0600
BFGS:    7 13:23:29      -11.279742        0.0138
BFGS:    8 13:23:29      -11.279755        0.0012
BFGS:    9 13:23:29      -11.279755        0.0000
BFGS:   10 13:23:29      -11.279755        0.0000
BFGS:   11 13:23:29      -11.279755        0.0000
Minimization converged after 11 steps.
Maximum force component: 4.684228042884271e-31 eV/Angstrom
Maximum stress component: 2.9823580311726276e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Fe', 'Fe']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.        ]
 [0.66666667 0.33333333 0.        ]]
cellpar =  Cell([[3.800297273707616, -8.467029192174606e-18, 1.7383354574474761e-37], [-1.900148636853808, 3.29115398096354, 6.606577510098038e-37], [1.6786019337966174e-36, -2.8059379375483835e-35, 2.358266390238241]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.68422804e-31 -1.62266419e-31 -1.21116156e-33]
 [-4.68422804e-31  1.62266419e-31  2.42232312e-33]]
stress =  [-2.98235803e-11 -2.98235803e-11 -6.77686732e-12 -1.34157804e-34
  2.26078485e-34  1.17556835e-26]
energy per atom =  -3.759918273183049
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0