element(s):
['Fe', 'Pt']
AFLOW prototype label:
A3B_tP4_123_ae_c
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:
['4.0969', '0.82423296']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.5 0. ]]
spacegroup =  123
cell =  [[4.0969, 0, 0], [0, 4.0969, 0], [0, 0, 3.3768]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:35:14      -48.404183         9.524079
BFGS:    1 15:35:14      -49.557785         7.973372
BFGS:    2 15:35:14      -50.401289         6.069206
BFGS:    3 15:35:14      -50.938685         4.006208
BFGS:    4 15:35:14      -51.247127         2.026198
BFGS:    5 15:35:14      -51.454476         3.624968
BFGS:    6 15:35:14      -51.647882         4.905130
BFGS:    7 15:35:14      -51.811128         5.398120
BFGS:    8 15:35:14      -51.962279         5.430701
BFGS:    9 15:35:14      -52.101848         4.997084
BFGS:   10 15:35:14      -52.231684         4.170184
BFGS:   11 15:35:14      -52.349094         2.967508
BFGS:   12 15:35:14      -52.440973         1.420131
BFGS:   13 15:35:14      -52.472078         0.217080
BFGS:   14 15:35:15      -52.472704         0.023328
BFGS:   15 15:35:15      -52.472715         0.001777
BFGS:   16 15:35:15      -52.472715         0.000226
BFGS:   17 15:35:15      -52.472715         0.000008
BFGS:   18 15:35:15      -52.472715         0.000000
BFGS:   19 15:35:15      -52.472715         0.000000
Minimization converged after 19 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.353647292101785e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.01401839e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.05173324e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.662392467396573, 6.10180525918553e-35, 4.559903413309483e-32], [2.478079095322062e-35, 3.6623924673965735, -3.483826164937085e-18], [9.258138178476604e-33, -5.253615089788502e-18, 3.6623924672300356]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.35364729e-10  3.35364729e-10  1.00935710e-10 -4.51326450e-26
  3.67578996e-33 -1.32129826e-48]
energy per atom =  -13.118178730526816
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A3B_tP4_123_ae_c, while relaxed is A3B_cP4_221_c_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.