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 16:49:15      -13.819440         1.049519
BFGS:    1 16:49:15      -13.865336         0.991429
BFGS:    2 16:49:15      -13.999988         0.806049
BFGS:    3 16:49:15      -14.107765         0.632964
BFGS:    4 16:49:15      -14.190459         0.471498
BFGS:    5 16:49:15      -14.249763         0.321011
BFGS:    6 16:49:15      -14.287280         0.180893
BFGS:    7 16:49:15      -14.304521         0.050570
BFGS:    8 16:49:15      -14.306059         0.002520
BFGS:    9 16:49:15      -14.306063         0.000038
BFGS:   10 16:49:15      -14.306063         0.000000
BFGS:   11 16:49:15      -14.306063         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.6666820358041821e-31 eV/Angstrom
Maximum stress component: 7.118430649652073e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'H', 'H', 'H', 'H', 'H', 'H']
basis =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.   0.5 ]
 [0.75 0.   0.5 ]
 [0.5  0.25 0.  ]
 [0.5  0.75 0.  ]
 [0.   0.5  0.25]
 [0.   0.5  0.75]]
cellpar =  Cell([[3.380432772922846, -1.4218512196221257e-32, 1.5288961324549086e-32], [-2.4653018913742407e-33, 3.380432772922846, -1.3433065060134243e-17], [1.1814008673317147e-32, -1.343306506013425e-17, 3.380432772922846]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.86115594e-32  4.68754323e-32 -4.51393051e-32]
 [ 1.66668204e-31  1.38890170e-32 -4.16670509e-32]
 [-4.16670509e-32  1.11112136e-31 -1.38890170e-32]
 [-6.94450848e-33  1.38890170e-32  2.08335254e-32]
 [-2.08335254e-32 -4.16670509e-32  8.33341018e-32]
 [ 1.38890170e-32 -4.16670509e-32  1.65575310e-49]]
stress =  [-7.11843065e-14 -7.11843065e-14 -7.11843065e-14 -2.02533307e-29
 -3.59546113e-34 -7.19057338e-51]
energy per atom =  -1.7882579146417297
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0