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 12:38:39      -59.512108        34.597146
BFGS:    1 12:38:39      -64.321560        29.626054
BFGS:    2 12:38:39      -68.423905        25.152897
BFGS:    3 12:38:39      -71.890525        21.141815
BFGS:    4 12:38:39      -74.787289        17.547679
BFGS:    5 12:38:39      -77.173636        14.329815
BFGS:    6 12:38:39      -79.103208        11.451550
BFGS:    7 12:38:39      -80.624421         8.879805
BFGS:    8 12:38:39      -81.780978         6.584730
BFGS:    9 12:38:39      -82.616291         4.570470
BFGS:   10 12:38:39      -83.163160         2.762153
BFGS:   11 12:38:40      -83.453702         1.143932
BFGS:   12 12:38:40      -83.519502         0.111899
BFGS:   13 12:38:40      -83.520174         0.005237
BFGS:   14 12:38:40      -83.520176         0.000026
BFGS:   15 12:38:40      -83.520176         0.000000
Minimization converged after 15 steps.
Maximum force component: 7.255769284707005e-31 eV/Angstrom
Maximum stress component: 3.0333738814542634e-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 0.00000000e+00]
 [8.08740113e-36 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.518668173325832, -1.8277373704582747e-32, -2.0333730099139307e-32], [-2.3564429559018858e-32, 5.518668173325832, -2.568917978467198e-18], [-1.6101562415575685e-32, -2.5689179784671945e-18, 5.518668173325832]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 7.25576928e-31 -2.40305093e-63 -2.67341412e-63]
 [-7.25576928e-31  2.40305093e-63  2.67341412e-63]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  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 =  [-3.03337388e-10 -3.03337388e-10 -3.03337388e-10  6.77443696e-26
 -5.39623225e-34  6.87051586e-50]
energy per atom =  -10.440021968742894
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0