element(s):
['Fe', 'Ni']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7004']
model name:
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7004, 0, 0], [0, 3.7004, 0], [0, 0, 3.7004]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:32:17      -17.085882         0.856001
BFGS:    1 10:32:17      -17.115625         0.764880
BFGS:    2 10:32:17      -17.200298         0.353343
BFGS:    3 10:32:17      -17.220120         0.054379
BFGS:    4 10:32:17      -17.220559         0.003110
BFGS:    5 10:32:17      -17.220560         0.000025
BFGS:    6 10:32:17      -17.220560         0.000000
BFGS:    7 10:32:17      -17.220560         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.11553503770281e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Ni']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[3.6081259174722966, -1.565434575566778e-33, -3.697490343355778e-33], [-1.0705908888626992e-32, 3.6081259174722966, -2.3728682024070733e-19], [2.5679649143529737e-33, -2.37286820240717e-19, 3.6081259174722966]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.11553504e-15  4.11553504e-15  4.11553504e-15 -1.56144365e-31
  1.57799578e-34 -7.56942279e-51]
energy per atom =  -4.305140112754425
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0