element(s):
['Pt', 'V']
AFLOW prototype label:
A2B_oI6_71_e_a
Parameter names:
['a', 'b/a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.4361', '0.45190313', '0.33281967', '0.33804473']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'V']
representative atom coordinates =  [[0.33804473 0.         0.        ]
 [0.         0.         0.        ]]
spacegroup =  71
cell =  [[8.4361, 0, 0], [0, 2.8077, 0], [0, 0, 3.8123]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:15:16     -141.930944        16.651023
BFGS:    1 16:15:16     -144.431806         6.971194
BFGS:    2 16:15:16     -144.949121         3.371676
BFGS:    3 16:15:16     -145.039108         1.392324
BFGS:    4 16:15:17     -145.070846         1.252774
BFGS:    5 16:15:17     -145.122799         0.656971
BFGS:    6 16:15:17     -145.139393         0.183827
BFGS:    7 16:15:17     -145.140235         0.088758
BFGS:    8 16:15:17     -145.140363         0.031852
BFGS:    9 16:15:17     -145.140379         0.010470
BFGS:   10 16:15:17     -145.140381         0.000388
BFGS:   11 16:15:17     -145.140381         0.000027
BFGS:   12 16:15:17     -145.140381         0.000000
BFGS:   13 16:15:17     -145.140381         0.000000
BFGS:   14 16:15:17     -145.140381         0.000000
Minimization converged after 14 steps.
Maximum force component: 3.7523974162276274e-10 eV/Angstrom
Maximum stress component: 4.207775596332586e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt', 'V', 'V']
basis =  [[3.25683926e-01 0.00000000e+00 8.83270832e-84]
 [6.74316074e-01 0.00000000e+00 2.40741243e-35]
 [8.25683926e-01 5.00000000e-01 5.00000000e-01]
 [1.74316074e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.556324232638188, 0.0, 0.0], [0.0, 2.8462015748602196, -2.6625501735990193e-33], [0.0, 6.656078762257305e-32, 3.72981506552941]])
forces =  [[ 3.75239742e-10  0.00000000e+00  0.00000000e+00]
 [-3.75239742e-10  0.00000000e+00  0.00000000e+00]
 [ 3.75239742e-10  0.00000000e+00  0.00000000e+00]
 [-3.75239742e-10  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [1.57322939e-11 2.40227229e-11 4.20777560e-11 8.60816689e-43
 0.00000000e+00 0.00000000e+00]
energy per atom =  -24.190063420780906
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0