element(s):
['Pt', 'V']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9443']
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.  0.5 0.5]]
spacegroup =  221
cell =  [[3.9443, 0, 0], [0, 3.9443, 0], [0, 0, 3.9443]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:48:56      -84.284671        35.063545
BFGS:    1 16:48:56      -88.519368        21.930470
BFGS:    2 16:48:56      -90.993973        11.562381
BFGS:    3 16:48:56      -92.084722         3.314452
BFGS:    4 16:48:56      -92.199174         0.529425
BFGS:    5 16:48:56      -92.202375         0.030887
BFGS:    6 16:48:56      -92.202386         0.000314
BFGS:    7 16:48:56      -92.202386         0.000000
BFGS:    8 16:48:56      -92.202386         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.489057205058408e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'V', 'V', 'V']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.116026189649908, -1.318210092798619e-32, -3.0344158527194475e-33], [5.82420979768408e-33, 4.116026189649908, -5.743714612190238e-19], [-9.050001581668463e-33, -5.743714612190207e-19, 4.116026189649908]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.48905721e-14 -6.48905721e-14 -6.48905721e-14 -1.09677853e-29
  1.94013939e-33 -1.63667267e-49]
energy per atom =  -23.050596490433414
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0