element(s):
['Co']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5722']
model name:
Sim_LAMMPS_HybridOverlay_BelandLuOsetskiy_2016_CoNi__SM_445377835613_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.5722, 0, 0], [0, 3.5722, 0], [0, 0, 3.5722]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:14:23      -17.530786         0.092337
BFGS:    1 15:14:23      -17.531124         0.078584
BFGS:    2 15:14:23      -17.532009         0.000432
BFGS:    3 15:14:24      -17.532009         0.000002
BFGS:    4 15:14:24      -17.532009         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.7178086957441e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Co']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.59827277e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.11068250e-37]]
cellpar =  Cell([[3.5643275717978864, -1.8221801432004845e-35, -6.569973941823329e-36], [-1.728948298528666e-33, 3.5643275717978864, -7.880110393630762e-21], [-1.8391797108356616e-34, -7.880110393630628e-21, 3.5643275717978864]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.71780870e-12  2.71780870e-12  2.71780870e-12  6.08392873e-29
 -1.01063424e-35 -1.71263371e-52]
energy per atom =  -4.365866122420383
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0