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 14:56:38      -43.272720        39.001232
BFGS:    1 14:56:38      -46.259713        16.120363
BFGS:    2 14:56:38      -47.147467         6.904263
BFGS:    3 14:56:38      -47.361580         1.523608
BFGS:    4 14:56:38      -47.388346         0.290323
BFGS:    5 14:56:38      -47.390765         0.071347
BFGS:    6 14:56:38      -47.390822         0.006092
BFGS:    7 14:56:38      -47.390823         0.000460
BFGS:    8 14:56:38      -47.390823         0.000043
BFGS:    9 14:56:38      -47.390823         0.000001
BFGS:   10 14:56:38      -47.390823         0.000000
BFGS:   11 14:56:38      -47.390823         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.9143088572259244e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'V']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.897553624393601, 5.470671093494438e-34, -9.840485566452883e-33], [3.4713096353320162e-34, 2.8975536243936015, -1.8220178514963193e-19], [-8.312778948410219e-33, -4.420006231826601e-19, 3.823752717109446]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.46990377e-11 -1.46990377e-11 -3.91430886e-11 -1.54161477e-27
  2.55874505e-32  1.81610147e-48]
energy per atom =  -23.695411291489897
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0