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 09:28:55      -43.843479         6.933323
BFGS:    1 09:28:55      -44.747370         4.994502
BFGS:    2 09:28:55      -45.306198         2.341002
BFGS:    3 09:28:55      -45.423698         0.662042
BFGS:    4 09:28:55      -45.432142         0.076710
BFGS:    5 09:28:55      -45.432261         0.001800
BFGS:    6 09:28:55      -45.432261         0.000005
BFGS:    7 09:28:55      -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 =  [[9.56929212e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.575122158990564, -3.481179346424092e-33, 5.082946683103291e-34], [-3.951254570952704e-33, 3.575122158990564, -9.142313894291665e-18], [2.100285763057025e-33, -9.142313894291662e-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  8.56128841e-28
 -7.23269167e-34 -9.86624757e-51]
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