element(s):
['Pt', 'Ti']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9471']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'Ti']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.9471, 0, 0], [0, 3.9471, 0], [0, 0, 3.9471]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:36:41      -78.830998         2.471709
BFGS:    1 09:36:41      -78.876369         1.746468
BFGS:    2 09:36:41      -78.912045         0.096039
BFGS:    3 09:36:41      -78.912159         0.003460
BFGS:    4 09:36:42      -78.912159         0.000007
BFGS:    5 09:36:42      -78.912159         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5626868072952766e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Ti']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.12510251e-16 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.12510251e-16]
 [0.00000000e+00 1.12510251e-16 1.12510251e-16]]
cellpar =  Cell([[3.9259030933378782, 1.0499193780710318e-33, -5.998309484733995e-33], [6.27896294786051e-33, 3.9259030933378782, -5.932755223207983e-20], [-1.7138953696737903e-32, -5.93275522320547e-20, 3.9259030933378782]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.56268681e-11  3.56268681e-11  3.56268681e-11 -8.90757477e-29
 -4.26520625e-33  1.75287479e-50]
energy per atom =  -19.728039729323726
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0