element(s):
['Co', '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:
['3.6559']
model name:
Sim_LAMMPS_HybridOverlay_BelandLuOsetskiy_2016_CoNi__SM_445377835613_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.6559, 0, 0], [0, 3.6559, 0], [0, 0, 3.6559]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:25:09      -17.429223         0.977622
BFGS:    1 09:25:09      -17.467733         0.860207
BFGS:    2 09:25:09      -17.563172         0.414003
BFGS:    3 09:25:09      -17.591113         0.014064
BFGS:    4 09:25:09      -17.591145         0.000123
BFGS:    5 09:25:09      -17.591145         0.000000
BFGS:    6 09:25:09      -17.591145         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.676894602703751e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Ni']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.07359624e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.07359624e-17]
 [2.13598536e-65 6.07359624e-17 6.07359624e-17]]
cellpar =  Cell([[3.5564167881155297, -5.721341369493795e-33, -3.771374268053584e-33], [-4.6782527339374335e-33, 3.5564167881155297, -2.2563285761513263e-18], [1.6529260569662546e-32, -2.256328576151351e-18, 3.5564167881155297]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.67689460e-15 -4.67689460e-15 -4.67689460e-15  1.70497226e-30
 -8.12108227e-34  3.14780140e-49]
energy per atom =  -4.378118792980059
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0