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 09:00:56      -84.284671       35.0635
BFGS:    1 09:00:56      -88.519368       21.9305
BFGS:    2 09:00:56      -90.993973       11.5624
BFGS:    3 09:00:57      -92.084722        3.3145
BFGS:    4 09:00:57      -92.199174        0.5294
BFGS:    5 09:00:57      -92.202375        0.0309
BFGS:    6 09:00:57      -92.202386        0.0003
BFGS:    7 09:00:57      -92.202386        0.0000
BFGS:    8 09:00:57      -92.202386        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.22440443609487e-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([[4.116026189649907, -5.3609015443722e-32, -1.3553327311636838e-32], [-2.412296893546713e-32, 4.116026189649907, -5.748633445597418e-19], [-2.0617405908725252e-32, -5.748633445597178e-19, 4.116026189649907]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.22440444e-14 -7.22440444e-14 -7.22440444e-14 -1.16199644e-29
 -1.58318044e-61  2.64506828e-62]
energy per atom =  -23.05059649043342
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0