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 15:45:09      -78.830998        2.4717
BFGS:    1 15:45:09      -78.876369        1.7465
BFGS:    2 15:45:09      -78.912045        0.0960
BFGS:    3 15:45:09      -78.912159        0.0035
BFGS:    4 15:45:09      -78.912159        0.0000
BFGS:    5 15:45:09      -78.912159        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.562352749242743e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Ti']
basis =  [[1.21999811e-48 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([[3.925903093337878, -8.366448091728447e-33, 1.1293950389707832e-32], [8.371990483194772e-33, 3.925903093337878, -6.001240509225968e-20], [1.728760464903825e-32, -6.001240509226805e-20, 3.925903093337878]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.56235275e-11  3.56235275e-11  3.56235275e-11 -1.67661902e-31
 -4.26520625e-33 -9.47236059e-49]
energy per atom =  -19.728039729323722
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0