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_NiFe__MO_321233176498_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 15:45:30      -17.085882        0.8560
BFGS:    1 15:45:30      -17.115625        0.7649
BFGS:    2 15:45:30      -17.200298        0.3533
BFGS:    3 15:45:30      -17.220120        0.0544
BFGS:    4 15:45:30      -17.220559        0.0031
BFGS:    5 15:45:30      -17.220560        0.0000
BFGS:    6 15:45:30      -17.220560        0.0000
BFGS:    7 15:45:30      -17.220560        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.860074451730069e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Ni']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.67219627e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.67219627e-36]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.608125917472296, 4.273284154336209e-34, -2.6403307378295146e-33], [-1.0421227774078935e-32, 3.608125917472296, -2.3728695994543974e-19], [1.998346613685077e-33, -2.37286959945446e-19, 3.608125917472296]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.86007445e-15  3.86007445e-15  3.86007445e-15 -1.15563713e-31
 -9.86247365e-36  2.53642394e-52]
energy per atom =  -4.305140112754424
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0