element(s):
['Fe', 'Pd']
AFLOW prototype label:
AB_tP2_123_a_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8626', '1.275379']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.8626, 0, 0], [0, 2.8626, 0], [0, 0, 3.6509]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:32:53      -19.799141        8.0534
BFGS:    1 16:32:53      -20.688080        5.0744
BFGS:    2 16:32:53      -21.020274        1.4089
BFGS:    3 16:32:54      -21.062966        1.5847
BFGS:    4 16:32:54      -21.115680        0.6678
BFGS:    5 16:32:54      -21.119443        0.0922
BFGS:    6 16:32:54      -21.119520        0.0176
BFGS:    7 16:32:54      -21.119524        0.0001
BFGS:    8 16:32:54      -21.119524        0.0000
BFGS:    9 16:32:54      -21.119524        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.142062915796017e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Pd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6595841861035217, 2.070277403872292e-34, 1.1575345425514668e-32], [1.4443391871543337e-34, 2.6595841861035217, 2.103631003595451e-17], [-1.3925709051867063e-32, 2.8483618083367137e-17, 3.6847095967647876]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.15057094e-11 -4.15057094e-11 -6.14206292e-11  1.71954885e-26
 -3.14444108e-33  1.18186956e-48]
energy per atom =  -10.559762060177427
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0