element(s):
['Fe', 'H']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9036']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'H']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[3.9036, 0, 0], [0, 3.9036, 0], [0, 0, 3.9036]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:29:31      -68.333569       11.4952
BFGS:    1 14:29:31      -70.062093       11.5460
BFGS:    2 14:29:31      -71.803010       11.6298
BFGS:    3 14:29:31      -73.546994       11.6179
BFGS:    4 14:29:31      -75.284697       11.5426
BFGS:    5 14:29:31      -77.006934       11.4103
BFGS:    6 14:29:31      -78.704530       11.2126
BFGS:    7 14:29:31      -80.366967       10.9399
BFGS:    8 14:29:32      -81.982211       10.5815
BFGS:    9 14:29:32      -83.538168       10.1698
BFGS:   10 14:29:32      -85.022709        9.6043
BFGS:   11 14:29:32      -86.413130        8.9122
BFGS:   12 14:29:32      -87.689159        8.0760
BFGS:   13 14:29:32      -88.827764        7.0764
BFGS:   14 14:29:32      -89.802799        5.8912
BFGS:   15 14:29:32      -90.584607        4.4956
BFGS:   16 14:29:32      -91.139570        2.8616
BFGS:   17 14:29:32      -91.434815        1.0194
BFGS:   18 14:29:32      -91.471090        0.1615
BFGS:   19 14:29:32      -91.471972        0.0058
BFGS:   20 14:29:32      -91.471973        0.0000
BFGS:   21 14:29:32      -91.471973        0.0000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0111223839492787e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'H', 'H', 'H', 'H']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.83898963e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.10777175e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 6.14936852e-51]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [6.18328107e-68 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.4771241333231178, -3.372932975839643e-33, -1.2242141160679696e-34], [9.704181306495882e-34, 3.4771241333231178, 4.0361052617280835e-18], [1.6528382230497635e-33, 4.03610526172808e-18, 3.4771241333231178]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.01112238e-09 -1.01112238e-09 -1.01112238e-09  6.75595050e-26
  1.69913865e-34 -1.56698401e-50]
energy per atom =  -11.433996613291397
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0