element(s):
['Fe', 'H']
AFLOW prototype label:
AB3_cP8_223_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2444']
model name:
MEAM_LAMMPS_LeeJang_2007_FeH__MO_095610951957_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'H']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[3.2444, 0, 0], [0, 3.2444, 0], [0, 0, 3.2444]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:56:47      -13.819440         1.049519
BFGS:    1 20:56:47      -13.865336         0.991429
BFGS:    2 20:56:47      -13.999988         0.806049
BFGS:    3 20:56:47      -14.107765         0.632964
BFGS:    4 20:56:47      -14.190459         0.471498
BFGS:    5 20:56:47      -14.249763         0.321011
BFGS:    6 20:56:47      -14.287280         0.180893
BFGS:    7 20:56:47      -14.304521         0.050570
BFGS:    8 20:56:47      -14.306059         0.002520
BFGS:    9 20:56:47      -14.306063         0.000038
BFGS:   10 20:56:47      -14.306063         0.000000
BFGS:   11 20:56:47      -14.306063         0.000000
Minimization converged after 11 steps.
Maximum force component: 4.444485428811153e-31 eV/Angstrom
Maximum stress component: 7.034125377100208e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'H', 'H', 'H', 'H', 'H', 'H']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 4.55783049e-34 5.00000000e-01]
 [7.50000000e-01 6.83674573e-34 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 1.13945762e-34]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[3.3804327729228465, -2.5423646102399877e-32, 6.282147483669792e-33], [-5.8456929302988014e-33, 3.3804327729228465, -1.3430737375070567e-17], [-6.214224093553301e-33, -1.3430737375070562e-17, 3.3804327729228465]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.77780339e-32  4.16670509e-32 -1.65546619e-49]
 [ 2.25037437e-65 -2.77780339e-32  1.38890170e-32]
 [ 7.04742915e-64 -4.44448543e-31  3.47225424e-32]
 [ 1.38890170e-32  1.11112136e-31 -2.08335254e-32]
 [ 4.16670509e-32  1.54510178e-48 -3.88892475e-31]
 [-2.77780339e-32 -4.41457652e-49  1.11112136e-31]]
stress =  [-7.03412538e-14 -7.03412538e-14 -7.03412538e-14 -3.25056758e-32
 -2.29191150e-61 -3.89204005e-62]
energy per atom =  -1.7882579146417301
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0