element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5687']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.5687, 0, 0], [0, 3.5687, 0], [0, 0, 3.5687]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:00:56      -58.534060        8.2411
BFGS:    1 09:00:56      -59.561595        5.3142
BFGS:    2 09:00:56      -60.079402        1.4073
BFGS:    3 09:00:56      -60.111190        0.2112
BFGS:    4 09:00:56      -60.111866        0.0190
BFGS:    5 09:00:56      -60.111871        0.0001
BFGS:    6 09:00:56      -60.111871        0.0000
BFGS:    7 09:00:56      -60.111871        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.58089152891929e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.89796790e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.66924099e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.4653357643208818, 2.4618833535337072e-32, -8.413266939116783e-34], [4.816551284470922e-32, 3.4653357643208818, 1.1465153368842972e-17], [-3.126850514000072e-32, 1.1465153368842997e-17, 3.4653357643208818]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.58089153e-15  6.58089153e-15  6.58089153e-15  7.58187607e-32
  4.10572455e-33 -4.54966990e-49]
energy per atom =  -15.027967798618413
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0