element(s):
['Al', 'Pt']
AFLOW prototype label:
AB3_cP4_221_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:
['3.8941']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.8941, 0, 0], [0, 3.8941, 0], [0, 0, 3.8941]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:59:42      -89.126407       21.0853
BFGS:    1 13:59:42      -92.135694       18.9025
BFGS:    2 13:59:42      -94.748026       15.8341
BFGS:    3 13:59:42      -96.808878       11.4096
BFGS:    4 13:59:42      -98.091620        5.3966
BFGS:    5 13:59:43      -98.360680        1.6984
BFGS:    6 13:59:43      -98.385068        0.1664
BFGS:    7 13:59:43      -98.385314        0.0045
BFGS:    8 13:59:43      -98.385314        0.0000
BFGS:    9 13:59:43      -98.385314        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.985554201162782e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', '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 8.40740327e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.20370163e-34]]
cellpar =  Cell([[3.6652076895101176, 9.923193146207988e-33, -3.4700854574604364e-33], [1.760422763122185e-32, 3.6652076895101176, -1.5495226049242023e-17], [-1.4013781841419946e-33, -1.549522604924202e-17, 3.6652076895101176]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.98555420e-11  6.98555420e-11  6.98555420e-11 -8.63867963e-28
  1.22338181e-33 -1.21910389e-50]
energy per atom =  -24.59632845018962
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0