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 12:20:27      -89.126407        21.085320
BFGS:    1 12:20:27      -92.135694        18.902457
BFGS:    2 12:20:27      -94.748026        15.834096
BFGS:    3 12:20:27      -96.808878        11.409583
BFGS:    4 12:20:27      -98.091620         5.396586
BFGS:    5 12:20:27      -98.360680         1.698446
BFGS:    6 12:20:27      -98.385068         0.166381
BFGS:    7 12:20:27      -98.385314         0.004491
BFGS:    8 12:20:27      -98.385314         0.000012
BFGS:    9 12:20:28      -98.385314         0.000000
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.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.6652076895101176, 1.905792024559858e-32, -3.448206815862639e-33], [1.9846686944966916e-32, 3.6652076895101176, -1.8707086862381637e-17], [-3.226469804869781e-33, -1.8707086862381634e-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 8.05858655e-27
 1.22338181e-33 9.20494832e-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