element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB_tP2_123_a_d
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:
['2.5968', '1.3704174']
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.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.5968, 0, 0], [0, 2.5968, 0], [0, 0, 3.5587]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:31:21       -8.790122        0.6559
BFGS:    1 14:31:21       -8.801471        0.5555
BFGS:    2 14:31:21       -8.831512        0.6434
BFGS:    3 14:31:21       -8.836791        0.6117
BFGS:    4 14:31:21       -8.856519        0.2496
BFGS:    5 14:31:21       -8.859288        0.0163
BFGS:    6 14:31:21       -8.859323        0.0049
BFGS:    7 14:31:21       -8.859325        0.0002
BFGS:    8 14:31:21       -8.859325        0.0000
BFGS:    9 14:31:21       -8.859325        0.0000
BFGS:   10 14:31:21       -8.859325        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0006258779658181e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.4893956083245765, -6.132625205908597e-36, 6.062706574149973e-38], [-4.982525948955183e-34, 2.4893956083245774, 1.9096303640179404e-19], [6.101905758730494e-34, 2.819744959551725e-19, 3.7145703251631943]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.00062588e-11 -1.00062588e-11 -1.47294454e-12  1.05732130e-27
 -1.04137701e-35  2.29418709e-51]
energy per atom =  -4.429662451211248
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0