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:
EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
==== 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 12:25:47      -18.865579         2.517928
BFGS:    1 12:25:47      -19.126183         2.310704
BFGS:    2 12:25:47      -19.450554         2.014252
BFGS:    3 12:25:47      -19.730673         1.721483
BFGS:    4 12:25:47      -19.967123         1.431207
BFGS:    5 12:25:48      -20.160068         1.141631
BFGS:    6 12:25:48      -20.309699         0.853790
BFGS:    7 12:25:48      -20.416323         0.568307
BFGS:    8 12:25:48      -20.480341         0.285909
BFGS:    9 12:25:48      -20.502678         0.014565
BFGS:   10 12:25:48      -20.502738         0.000452
BFGS:   11 12:25:48      -20.502738         0.000001
BFGS:   12 12:25:49      -20.502738         0.000000
Minimization converged after 12 steps.
Maximum force component: 5.624465181018589e-32 eV/Angstrom
Maximum stress component: 8.665261398571124e-12 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 2.81376908e-34 5.00000000e-01]
 [7.50000000e-01 2.81376908e-34 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 3.37652290e-34]
 [5.01544256e-37 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[3.4223311980868765, 8.61336180095526e-33, -1.3718114767335585e-32], [4.0206940395999444e-33, 3.4223311980868765, 1.7527523082919562e-18], [-7.21787515414266e-33, 1.7527523082919385e-18, 3.4223311980868765]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.81223259e-32 -7.03058148e-33 -1.75764537e-33]
 [ 2.81223259e-32  3.51529074e-33 -7.03058148e-33]
 [ 3.27158145e-65  5.62446518e-32  1.58188083e-32]
 [-7.03058148e-33 -5.62446518e-32  5.27293611e-33]
 [ 1.40611630e-32 -3.51529074e-33  5.62446518e-32]
 [ 5.27293611e-33 -7.03058148e-33 -5.62446518e-32]]
stress =  [-8.66526140e-12 -8.66526140e-12 -8.66526140e-12  3.23888247e-27
 -5.26194605e-34  1.78076109e-49]
energy per atom =  -2.5242007212085786
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0