element(s):
['Fe', 'Pt']
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:
['3.8226']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pt']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.8226, 0, 0], [0, 3.8226, 0], [0, 0, 3.8226]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:29:52      -49.760259         9.274247
BFGS:    1 10:29:52      -51.017787         7.389777
BFGS:    2 10:29:52      -51.946583         4.879788
BFGS:    3 10:29:52      -52.433214         1.468809
BFGS:    4 10:29:52      -52.470720         0.343325
BFGS:    5 10:29:52      -52.472710         0.016682
BFGS:    6 10:29:52      -52.472715         0.000177
BFGS:    7 10:29:52      -52.472715         0.000000
BFGS:    8 10:29:53      -52.472715         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.3566072176929494e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Pt']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.31466655e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.20266583e-35]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.6623924673049997, 6.849551620327253e-33, 2.2570852738428698e-32], [-7.567163131682617e-37, 3.6623924673049997, 6.838536146896501e-19], [-2.7499217945628646e-33, 6.838536146896741e-19, 3.6623924673049997]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.35660722e-14  3.35660722e-14  3.35660722e-14  8.56783864e-30
 -1.53157915e-33 -2.69326630e-49]
energy per atom =  -13.118178730526802
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0