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 16:30:45      -31.974880       14.6647
BFGS:    1 16:30:45      -33.864023       10.3929
BFGS:    2 16:30:45      -34.866672        3.1274
BFGS:    3 16:30:45      -34.915401        1.4610
BFGS:    4 16:30:45      -34.926634        0.2232
BFGS:    5 16:30:45      -34.927105        0.1091
BFGS:    6 16:30:45      -34.927361        0.0080
BFGS:    7 16:30:45      -34.927361        0.0006
BFGS:    8 16:30:45      -34.927361        0.0000
BFGS:    9 16:30:45      -34.927361        0.0000
BFGS:   10 16:30:45      -34.927361        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.983143816087174e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.644354444017352, 9.020089477570421e-35, 7.26873813935388e-33], [-1.7578805328981372e-35, 2.6443544440173525, 8.768929702884255e-18], [8.022423510526258e-33, 1.1417660350990403e-17, 3.3993876089620043]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.98314382e-11  5.98314382e-11  1.94945253e-11  5.19376752e-27
 -6.51708270e-44  1.95657842e-59]
energy per atom =  -17.463680667111767
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0