element(s):
['Pt', 'V']
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:
['2.702', '1.4529608']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'V']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.702, 0, 0], [0, 2.702, 0], [0, 0, 3.9259]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:32:53      -43.272720       39.0012
BFGS:    1 16:32:53      -46.259713       16.1204
BFGS:    2 16:32:53      -47.147467        6.9043
BFGS:    3 16:32:53      -47.361580        1.5236
BFGS:    4 16:32:53      -47.388346        0.2903
BFGS:    5 16:32:53      -47.390765        0.0713
BFGS:    6 16:32:53      -47.390822        0.0061
BFGS:    7 16:32:53      -47.390823        0.0005
BFGS:    8 16:32:53      -47.390823        0.0000
BFGS:    9 16:32:53      -47.390823        0.0000
BFGS:   10 16:32:53      -47.390823        0.0000
BFGS:   11 16:32:53      -47.390823        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.913451209090377e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'V']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8975536243936024, -5.86469604371934e-34, 3.198419648314321e-32], [-3.4231969221966144e-34, 2.8975536243936024, -5.922393774336939e-18], [2.3927847281163984e-32, -8.462542025004651e-18, 3.8237527171094454]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.46881373e-11 -1.46881373e-11 -3.91345121e-11 -1.44104243e-26
 -3.34558101e-43 -1.36784932e-58]
energy per atom =  -23.695411291489904
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0