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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 12:39:31      -44.226882        10.137740
BFGS:    1 12:39:31      -45.664960         8.961914
BFGS:    2 12:39:31      -46.891957         7.291900
BFGS:    3 12:39:31      -47.820802         5.011735
BFGS:    4 12:39:32      -48.352800         1.934413
BFGS:    5 12:39:32      -48.421574         0.548568
BFGS:    6 12:39:32      -48.426851         0.038171
BFGS:    7 12:39:33      -48.426878         0.000684
BFGS:    8 12:39:33      -48.426878         0.000001
BFGS:    9 12:39:33      -48.426878         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8497865722822003e-12 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]
 [0.00000000e+00 6.07359624e-17 6.07359624e-17]]
cellpar =  Cell([[3.4503047780261404, -5.772957967245324e-33, -1.679017940911637e-33], [-4.1439382585760154e-33, 3.4503047780261404, -3.910959710757024e-19], [3.8725868207632714e-33, -3.910959710756983e-19, 3.4503047780261404]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.84978657e-12  1.84978657e-12  1.84978657e-12 -1.55442958e-29
  6.90262502e-34 -1.20597272e-50]
energy per atom =  -12.106719392796297
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0