element(s):
['Co', 'Pt']
AFLOW prototype label:
AB_tP2_123_a_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7881', '1.3009576']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.7881, 0, 0], [0, 2.7881, 0], [0, 0, 3.6272]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:51:47      -31.974880        14.664700
BFGS:    1 15:51:48      -33.864023        10.392893
BFGS:    2 15:51:48      -34.866672         3.127422
BFGS:    3 15:51:48      -34.915401         1.461042
BFGS:    4 15:51:48      -34.926634         0.223214
BFGS:    5 15:51:48      -34.927105         0.109127
BFGS:    6 15:51:48      -34.927361         0.008036
BFGS:    7 15:51:48      -34.927361         0.000632
BFGS:    8 15:51:48      -34.927361         0.000011
BFGS:    9 15:51:48      -34.927361         0.000000
BFGS:   10 15:51:48      -34.927361         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.982694273389343e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6443544440173516, 2.576737730359122e-34, -7.108230112463566e-33], [2.1470221481893363e-34, 2.644354444017352, 6.18114230427089e-18], [1.303630779075023e-33, 8.087042836148967e-18, 3.399387608962004]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.98269427e-11  5.98269427e-11  1.94909383e-11 -7.01168160e-27
 -2.74239559e-33  1.60926877e-48]
energy per atom =  -17.463680667111763
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0