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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:04:10      -43.843479         6.933323
BFGS:    1 15:04:10      -44.747370         4.994502
BFGS:    2 15:04:10      -45.306198         2.341002
BFGS:    3 15:04:10      -45.423698         0.662042
BFGS:    4 15:04:10      -45.432142         0.076710
BFGS:    5 15:04:10      -45.432261         0.001800
BFGS:    6 15:04:10      -45.432261         0.000005
BFGS:    7 15:04:10      -45.432261         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8144724919469153e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Ni']
basis =  [[3.58848454e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.30962604e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.575122158990564, 3.986881287701018e-33, -2.0543735857707073e-34], [5.0160049246496614e-34, 3.575122158990564, -9.263419504225811e-18], [-1.3128066922307894e-33, -9.263419504225811e-18, 3.575122158990564]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.81447249e-11  2.81447249e-11  2.81447249e-11  6.83711737e-28
 -1.04472213e-33  5.58953014e-50]
energy per atom =  -11.358065171800972
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0