element(s):
['Pt']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.949']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Pt__MO_637493005914_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.949, 0, 0], [0, 3.949, 0], [0, 0, 3.949]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:13:21      -23.378540        0.5252
BFGS:    1 17:13:21      -23.388807        0.3866
BFGS:    2 17:13:21      -23.400510        0.0183
BFGS:    3 17:13:21      -23.400535        0.0006
BFGS:    4 17:13:21      -23.400535        0.0000
BFGS:    5 17:13:21      -23.400535        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6874570229773126e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.22769625e-35]]
cellpar =  Cell([[3.9218372191171404, -4.1963042832495073e-33, -8.109183803364061e-33], [4.1945657182059865e-33, 3.9218372191171404, -2.18067182367315e-19], [1.648632175207488e-33, -2.1806718236732597e-19, 3.9218372191171404]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.68745702e-12 -2.68745702e-12 -2.68745702e-12  1.79049359e-27
  8.34776278e-36 -2.78065592e-51]
energy per atom =  -5.850133762236224
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0