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 18:13:01      -48.404183        9.5241
BFGS:    1 18:13:01      -49.557785        7.9734
BFGS:    2 18:13:01      -50.401289        6.0692
BFGS:    3 18:13:01      -50.938685        4.0062
BFGS:    4 18:13:01      -51.247127        2.0262
BFGS:    5 18:13:01      -51.454476        3.6250
BFGS:    6 18:13:01      -51.647882        4.9051
BFGS:    7 18:13:01      -51.811128        5.3981
BFGS:    8 18:13:01      -51.962279        5.4307
BFGS:    9 18:13:01      -52.101848        4.9971
BFGS:   10 18:13:01      -52.231684        4.1702
BFGS:   11 18:13:01      -52.349094        2.9675
BFGS:   12 18:13:01      -52.440973        1.4201
BFGS:   13 18:13:01      -52.472078        0.2171
BFGS:   14 18:13:01      -52.472704        0.0233
BFGS:   15 18:13:01      -52.472715        0.0018
BFGS:   16 18:13:01      -52.472715        0.0002
BFGS:   17 18:13:01      -52.472715        0.0000
BFGS:   18 18:13:01      -52.472715        0.0000
BFGS:   19 18:13:01      -52.472715        0.0000
Minimization converged after 19 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.353654863226332e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.41520854e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6623924673965744, 7.74981979946114e-36, -5.0317974863441884e-33], [-2.1628500769195875e-35, 3.662392467396573, -7.058747300280752e-18], [1.0177758489497863e-32, -5.296192825709696e-18, 3.6623924672300356]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.35365486e-10  3.35365486e-10  1.00935358e-10 -3.25258809e-26
 -6.51479396e-43  1.04355559e-58]
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.