element(s):
['Pt', 'Ti']
AFLOW prototype label:
AB3_cP8_223_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:
['5.14']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[5.14, 0, 0], [0, 5.14, 0], [0, 0, 5.14]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:19:36      -59.512108        34.597146
BFGS:    1 11:19:36      -64.321560        29.626054
BFGS:    2 11:19:36      -68.423905        25.152897
BFGS:    3 11:19:36      -71.890525        21.141815
BFGS:    4 11:19:36      -74.787289        17.547679
BFGS:    5 11:19:36      -77.173636        14.329815
BFGS:    6 11:19:36      -79.103208        11.451550
BFGS:    7 11:19:36      -80.624421         8.879805
BFGS:    8 11:19:36      -81.780978         6.584730
BFGS:    9 11:19:36      -82.616291         4.570470
BFGS:   10 11:19:36      -83.163160         2.762153
BFGS:   11 11:19:36      -83.453702         1.143932
BFGS:   12 11:19:36      -83.519502         0.111899
BFGS:   13 11:19:36      -83.520174         0.005237
BFGS:   14 11:19:36      -83.520176         0.000026
BFGS:   15 11:19:36      -83.520176         0.000000
Minimization converged after 15 steps.
Maximum force component: 3.627884642353502e-31 eV/Angstrom
Maximum stress component: 3.0333748943015346e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 2.79187642e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [2.45380527e-34 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.518668173325831, 2.338124353757506e-32, -1.1776472823520915e-32], [-4.742155675633191e-32, 5.518668173325831, 1.7578785510274215e-17], [1.08831526504474e-32, 1.7578785510274202e-17, 5.518668173325831]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.81394232e-31  2.26742790e-32  2.26742790e-32]
 [ 1.81394232e-31  6.80228370e-32  2.16675260e-49]
 [ 4.53485580e-32  3.62788464e-31  2.26742790e-32]
 [ 3.25156290e-63 -3.62788464e-31  6.80228370e-32]
 [ 5.20602532e-64  2.26742790e-32  3.62788464e-31]
 [ 5.66856975e-32 -1.15560139e-48 -3.62788464e-31]]
stress =  [-3.03337489e-10 -3.03337489e-10 -3.03337489e-10  1.19430455e-27
  1.21415226e-33 -6.21087326e-51]
energy per atom =  -10.440021968742899
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0