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 19:06:41      -17.429223        0.9776
BFGS:    1 19:06:41      -17.467733        0.8602
BFGS:    2 19:06:41      -17.563172        0.4140
BFGS:    3 19:06:41      -17.591113        0.0141
BFGS:    4 19:06:41      -17.591145        0.0001
BFGS:    5 19:06:41      -17.591145        0.0000
BFGS:    6 19:06:41      -17.591145        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.0978176879407655e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Ni']
basis =  [[1.92392458e-49 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([[3.5564167881155293, -1.6356769683202024e-32, -1.3707420639577234e-32], [-9.486688904204254e-33, 3.5564167881155293, -3.321006324766962e-18], [7.86019138680147e-34, -3.321006324766964e-18, 3.5564167881155293]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.09781769e-15 -5.09781769e-15 -5.09781769e-15 -1.06890077e-32
  1.21816234e-34 -3.37136934e-51]
energy per atom =  -4.378118792980058
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0