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 13:12:33      -10.901172         1.682617
BFGS:    1 13:12:33      -10.995540         1.470289
BFGS:    2 13:12:33      -11.152641         0.941057
BFGS:    3 13:12:33      -11.244680         0.611692
BFGS:    4 13:12:33      -11.263105         0.374416
BFGS:    5 13:12:33      -11.266497         0.354407
BFGS:    6 13:12:33      -11.279451         0.060045
BFGS:    7 13:12:33      -11.279742         0.013779
BFGS:    8 13:12:33      -11.279755         0.001208
BFGS:    9 13:12:33      -11.279755         0.000016
BFGS:   10 13:12:33      -11.279755         0.000000
BFGS:   11 13:12:33      -11.279755         0.000000
Minimization converged after 11 steps.
Maximum force component: 9.368456085768548e-32 eV/Angstrom
Maximum stress component: 2.9821344485524576e-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([[3.800297273707619, 1.7476376553120455e-18, -8.252716115418923e-37], [-1.9001486368538094, 3.291153980963542, 8.945865238834596e-37], [-5.32020009279747e-37, -3.176366247581782e-36, 2.358266390238241]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-9.36845609e-32  5.40888064e-32 -5.53255520e-52]
 [ 9.36845609e-32 -5.40888064e-32 -2.82651843e-68]]
stress =  [-2.98213445e-11 -2.98213445e-11 -6.77657279e-12 -4.16402714e-38
 -7.21230656e-38  1.97520377e-27]
energy per atom =  -3.7599182731830507
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0