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:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001
==== 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 11:46:46      -22.545023         1.968362
BFGS:    1 11:46:46      -22.733214         1.896592
BFGS:    2 11:46:46      -23.040599         1.733111
BFGS:    3 11:46:46      -23.310274         1.526931
BFGS:    4 11:46:46      -23.536794         1.276301
BFGS:    5 11:46:46      -23.714426         0.978619
BFGS:    6 11:46:46      -23.837349         0.630002
BFGS:    7 11:46:46      -23.899685         0.223948
BFGS:    8 11:46:46      -23.906938         0.082929
BFGS:    9 11:46:46      -23.907260         0.039296
BFGS:   10 11:46:46      -23.907348         0.000095
BFGS:   11 11:46:46      -23.907348         0.000001
BFGS:   12 11:46:46      -23.907348         0.000000
Minimization converged after 12 steps.
Maximum force component: 5.618443451223717e-09 eV/Angstrom
Maximum stress component: 5.542928895752156e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[7.18901202e-36 0.00000000e+00 2.16660428e-84]
 [2.76795866e-01 2.76795866e-01 2.76795866e-01]
 [7.23204134e-01 7.23204134e-01 2.76795866e-01]
 [7.23204134e-01 2.76795866e-01 7.23204134e-01]
 [2.76795866e-01 7.23204134e-01 7.23204134e-01]]
cellpar =  Cell([[3.80138274898291, 2.4243311079628642e-32, -3.203025759424215e-33], [-1.6492936358482466e-32, 3.80138274898291, 1.069991624908568e-17], [1.4030328210008524e-35, 1.069991624908566e-17, 3.80138274898291]])
forces =  [[-1.35412133e-64  3.12371066e-32  3.12371066e-32]
 [ 5.61844345e-09  5.61844345e-09  5.61844345e-09]
 [-5.61844345e-09 -5.61844345e-09  5.61844345e-09]
 [-5.61844345e-09  5.61844345e-09 -5.61844345e-09]
 [ 5.61844345e-09 -5.61844345e-09 -5.61844345e-09]]
stress =  [ 5.54292890e-10  5.54292890e-10  5.54292890e-10  1.26294672e-25
 -1.13730251e-33 -8.05364087e-50]
energy per atom =  -4.781469513310299
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0