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 10:31:21      -44.226882        10.137740
BFGS:    1 10:31:23      -45.664960         8.961914
BFGS:    2 10:31:26      -46.891957         7.291900
BFGS:    3 10:31:26      -47.820802         5.011735
BFGS:    4 10:31:26      -48.352800         1.934413
BFGS:    5 10:31:26      -48.421574         0.548568
BFGS:    6 10:31:26      -48.426851         0.038171
BFGS:    7 10:31:26      -48.426878         0.000684
BFGS:    8 10:31:26      -48.426878         0.000001
BFGS:    9 10:31:26      -48.426878         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8449933427258954e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Ni']
basis =  [[3.96618739e-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]
 [6.60502885e-65 6.07359624e-17 6.07359624e-17]]
cellpar =  Cell([[3.45030477802614, -2.2248190126780148e-33, -3.3418279870393715e-34], [-8.698820469210105e-33, 3.45030477802614, 3.256897904290326e-19], [3.150740256363128e-33, 3.2568979042902743e-19, 3.45030477802614]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.84499334e-12 1.84499334e-12 1.84499334e-12 6.68315783e-29
 3.45131251e-34 2.95381857e-50]
energy per atom =  -12.106719392796311
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0