element(s):
['Ni', '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:
['2.7699', '1.2938373']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.7699, 0, 0], [0, 2.7699, 0], [0, 0, 3.5838]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:10:50      -39.095573        17.509289
BFGS:    1 11:10:50      -41.325719        12.190328
BFGS:    2 11:10:50      -42.440876         2.429227
BFGS:    3 11:10:50      -42.466745         1.031985
BFGS:    4 11:10:50      -42.471393         0.067159
BFGS:    5 11:10:50      -42.471476         0.030701
BFGS:    6 11:10:50      -42.471502         0.001759
BFGS:    7 11:10:50      -42.471502         0.000112
BFGS:    8 11:10:50      -42.471502         0.000000
BFGS:    9 11:10:50      -42.471502         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.817788340710034e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6153783814520217, 1.6210688593881651e-35, 1.8186507563609162e-33], [-2.492315680867468e-35, 2.6153783814520217, -2.228521837788264e-18], [-8.178434090024166e-36, -2.89585447220297e-18, 3.4108240602683684]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.52791169e-12  4.52791169e-12 -4.81778834e-12 -3.59105696e-28
  2.21078544e-32  1.49301035e-48]
energy per atom =  -21.235751200330736
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0