element(s):
['Pt', 'Ti']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2038']
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. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2038, 0, 0], [0, 3.2038, 0], [0, 0, 3.2038]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:22:47      -29.538504        8.3617
BFGS:    1 15:22:47      -29.969571        1.8038
BFGS:    2 15:22:47      -29.998424        0.3417
BFGS:    3 15:22:47      -29.999429        0.0198
BFGS:    4 15:22:47      -29.999433        0.0002
BFGS:    5 15:22:47      -29.999433        0.0000
BFGS:    6 15:22:47      -29.999433        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.8102154737562833e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2665413776892853, -1.2444469739586332e-33, -3.016506553604965e-33], [-1.3585512644755782e-32, 3.2665413776892853, -7.253182735923684e-19], [5.723324965711391e-33, -7.253182735923669e-19, 3.2665413776892853]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.81021547e-14 -3.81021547e-14 -3.81021547e-14 -9.44211934e-31
  3.58716333e-62 -5.83953866e-63]
energy per atom =  -14.999716417311916
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0