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:
MEAM_LAMMPS_LeeJang_2007_FeH__MO_095610951957_001
==== 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 15:40:37      -24.040608         1.570438
BFGS:    1 15:40:37      -24.144754         1.523967
BFGS:    2 15:40:37      -24.365126         1.412457
BFGS:    3 15:40:37      -24.567912         1.289369
BFGS:    4 15:40:37      -24.751318         1.153907
BFGS:    5 15:40:37      -24.913423         1.005226
BFGS:    6 15:40:37      -25.052180         0.842432
BFGS:    7 15:40:37      -25.165400         0.664576
BFGS:    8 15:40:37      -25.250750         0.470651
BFGS:    9 15:40:37      -25.305739         0.259590
BFGS:   10 15:40:37      -25.327713         0.030264
BFGS:   11 15:40:37      -25.327999         0.001427
BFGS:   12 15:40:37      -25.328000         0.000007
BFGS:   13 15:40:37      -25.328000         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.674006163800699e-10 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 0.00000000e+00 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 3.72876166e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.33047603e-50 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.6700000109030193, -6.641492772015089e-32, 9.972337223202506e-33], [-1.2318367779521954e-32, 3.6700000109030193, -8.434850965324861e-18], [-7.602017048871492e-34, -8.434850965324843e-18, 3.6700000109030193]])
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 =  [2.67400616e-10 2.67400616e-10 2.67400616e-10 1.07425249e-26
 1.33458159e-34 3.04444091e-51]
energy per atom =  -3.166000000253442
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0