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 20:25:28      -68.333569        11.495195
BFGS:    1 20:25:28      -70.062093        11.546043
BFGS:    2 20:25:28      -71.803010        11.629838
BFGS:    3 20:25:28      -73.546994        11.617886
BFGS:    4 20:25:29      -75.284697        11.542633
BFGS:    5 20:25:29      -77.006934        11.410348
BFGS:    6 20:25:29      -78.704530        11.212599
BFGS:    7 20:25:29      -80.366967        10.939877
BFGS:    8 20:25:29      -81.982211        10.581461
BFGS:    9 20:25:29      -83.538168        10.169798
BFGS:   10 20:25:29      -85.022709         9.604306
BFGS:   11 20:25:29      -86.413130         8.912153
BFGS:   12 20:25:29      -87.689159         8.076018
BFGS:   13 20:25:29      -88.827764         7.076373
BFGS:   14 20:25:29      -89.802799         5.891190
BFGS:   15 20:25:30      -90.584607         4.495623
BFGS:   16 20:25:30      -91.139570         2.861634
BFGS:   17 20:25:30      -91.434815         1.019402
BFGS:   18 20:25:30      -91.471090         0.161460
BFGS:   19 20:25:30      -91.471972         0.005757
BFGS:   20 20:25:30      -91.471973         0.000031
BFGS:   21 20:25:30      -91.471973         0.000000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0111211324143464e-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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.64663050e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 9.83898963e-50]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [9.53152120e-50 4.43108700e-34 5.00000000e-01]]
cellpar =  Cell([[3.4771241333231178, 1.3038057156031412e-32, 4.698039112750241e-33], [6.695094181869348e-33, 3.4771241333231178, -4.763537350079933e-18], [-1.2828186910828144e-34, -4.763537350079926e-18, 3.477124133323118]])
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 =  [-1.01112113e-09 -1.01112113e-09 -1.01112113e-09 -6.81557964e-26
 -3.39827730e-34 -3.59781951e-50]
energy per atom =  -11.433996613291402
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0