element(s):
['Cr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6528']
model name:
MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.6528, 0, 0], [0, 3.6528, 0], [0, 0, 3.6528]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:52:10      -16.119410        0.0646
BFGS:    1 16:52:10      -16.119576        0.0548
BFGS:    2 16:52:10      -16.120003        0.0005
BFGS:    3 16:52:10      -16.120003        0.0000
BFGS:    4 16:52:10      -16.120003        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.633129411413865e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [4.6757300e-50 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 4.1128156e-37 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 2.0564078e-37]]
cellpar =  Cell([[3.658400751533348, -1.7407863415774757e-32, -7.110619392862201e-34], [-2.6673054212966895e-33, 3.658400751533348, 1.0028557335403421e-20], [-1.853191734855857e-33, 1.0028557335404265e-20, 3.658400751533348]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.63312941e-11 -1.63312941e-11 -1.63312941e-11  5.20986388e-28
 -1.49894845e-37  2.31719276e-54]
energy per atom =  -4.030000670542719
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0