element(s):
['H']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['3.7459', '2.7159561', '0.10828712']
Parameter values for parameter set 1:
['3.2905', '1.3015955', '0.1624874']
model name:
EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H']
representative atom coordinates =  [[0.33333333 0.66666667 0.60828712]]
spacegroup =  194
cell =  [[3.7459, 0, 0], [-1.87295, 3.2440445600361, 0], [0, 0, 10.1737]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:20:10        0.125861         0.106282
BFGS:    1 16:20:10        0.125355         0.106810
BFGS:    2 16:20:10        0.106965         0.119910
BFGS:    3 16:20:10        0.086643         0.122916
BFGS:    4 16:20:10        0.066735         0.113100
BFGS:    5 16:20:10        0.050039         0.087696
BFGS:    6 16:20:10        0.038794         0.058817
BFGS:    7 16:20:10        0.032579         0.037598
BFGS:    8 16:20:10        0.030521         0.028512
BFGS:    9 16:20:10        0.030413         0.027703
BFGS:   10 16:20:10        0.030385         0.027392
BFGS:   11 16:20:10        0.030315         0.026546
BFGS:   12 16:20:10        0.030156         0.024579
BFGS:   13 16:20:10        0.029804         0.020341
BFGS:   14 16:20:10        0.029263         0.014544
BFGS:   15 16:20:10        0.028789         0.010453
BFGS:   16 16:20:10        0.028434         0.007969
BFGS:   17 16:20:10        0.028145         0.006913
BFGS:   18 16:20:10        0.027883         0.006403
BFGS:   19 16:20:10        0.027632         0.006379
BFGS:   20 16:20:10        0.027374         0.006816
BFGS:   21 16:20:10        0.027079         0.007756
BFGS:   22 16:20:10        0.026693         0.009407
BFGS:   23 16:20:10        0.026112         0.012257
BFGS:   24 16:20:10        0.025086         0.017396
BFGS:   25 16:20:10        0.022944         0.027343
BFGS:   26 16:20:10        0.017867         0.044378
BFGS:   27 16:20:10        0.008271         0.056027
BFGS:   28 16:20:10       -0.003023         0.052209
BFGS:   29 16:20:10       -0.011705         0.032014
BFGS:   30 16:20:10       -0.016045         0.013218
BFGS:   31 16:20:10       -0.017210         0.004816
BFGS:   32 16:20:10       -0.017452         0.001854
BFGS:   33 16:20:10       -0.017509         0.000702
BFGS:   34 16:20:10       -0.017522         0.000268
BFGS:   35 16:20:10       -0.017525         0.000102
BFGS:   36 16:20:10       -0.017526         0.000039
BFGS:   37 16:20:10       -0.017526         0.000015
BFGS:   38 16:20:10       -0.017526         0.000006
BFGS:   39 16:20:10       -0.017526         0.000002
BFGS:   40 16:20:10       -0.017526         0.000001
BFGS:   41 16:20:10       -0.017526         0.000000
BFGS:   42 16:20:10       -0.017526         0.000000
BFGS:   43 16:20:10       -0.017526         0.000000
BFGS:   44 16:20:10       -0.017526         0.000000
BFGS:   45 16:20:10       -0.017526         0.000000
Minimization converged after 45 steps.
Maximum force component: 4.137526586069549e-09 eV/Angstrom
Maximum stress component: 1.639016562230916e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'H', 'H']
basis =  [[0.33333333 0.66666667 0.61050492]
 [0.66666666 0.33333334 0.11050492]
 [0.66666666 0.33333334 0.38949508]
 [0.33333333 0.66666667 0.88949508]]
cellpar =  Cell([[4.032950180596365, -1.1390137320435594e-17, -1.3279172510147777e-35], [-2.0164750902981825, 3.492637308593486, -2.5978764422481197e-35], [-5.533591089274345e-36, -1.3551811844103433e-34, 13.61812495676163]])
forces =  [[ 3.85968104e-42 -6.64107788e-42 -4.13752659e-09]
 [ 3.85968104e-42  5.05286254e-42 -4.13752659e-09]
 [-3.85968104e-42 -5.05286254e-42  4.13752659e-09]
 [-3.85968104e-42  6.64107788e-42  4.13752659e-09]]
stress =  [-1.09978916e-42 -1.09978916e-42 -1.63901656e-10  7.63650309e-43
 -6.98994766e-44  2.85035135e-58]
energy per atom =  -1.0869430355775478e-13
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['H']
representative atom coordinates =  [[0.33333333 0.66666667 0.6624874 ]]
spacegroup =  194
cell =  [[3.2905, 0, 0], [-1.64525, 2.8496565911527, 0], [0, 0, 4.2829]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:20:11       -8.777461         0.571952
BFGS:    1 16:20:11       -8.796131         0.568569
BFGS:    2 16:20:11       -8.820116         0.547392
BFGS:    3 16:20:11       -8.869853         0.886639
BFGS:    4 16:20:11       -8.917675         1.084374
BFGS:    5 16:20:11       -8.965391         1.101110
BFGS:    6 16:20:11       -9.010929         1.011333
BFGS:    7 16:20:11       -9.051977         0.875959
BFGS:    8 16:20:11       -9.087500         0.732550
BFGS:    9 16:20:11       -9.117738         0.598716
BFGS:   10 16:20:11       -9.143496         0.483226
BFGS:   11 16:20:11       -9.165817         0.389672
BFGS:   12 16:20:11       -9.185790         0.319156
BFGS:   13 16:20:11       -9.204423         0.301226
BFGS:   14 16:20:11       -9.222305         0.288229
BFGS:   15 16:20:11       -9.239671         0.276982
BFGS:   16 16:20:11       -9.256468         0.265680
BFGS:   17 16:20:11       -9.272580         0.253151
BFGS:   18 16:20:11       -9.287872         0.238671
BFGS:   19 16:20:11       -9.302194         0.221789
BFGS:   20 16:20:11       -9.315457         0.204721
BFGS:   21 16:20:11       -9.327837         0.190478
BFGS:   22 16:20:11       -9.339577         0.179647
BFGS:   23 16:20:11       -9.350890         0.171643
BFGS:   24 16:20:11       -9.361822         0.173043
BFGS:   25 16:20:11       -9.372382         0.176634
BFGS:   26 16:20:11       -9.382567         0.180941
BFGS:   27 16:20:11       -9.392373         0.185123
BFGS:   28 16:20:11       -9.401794         0.188702
BFGS:   29 16:20:11       -9.410820         0.191415
BFGS:   30 16:20:11       -9.419442         0.193114
BFGS:   31 16:20:11       -9.427652         0.193717
BFGS:   32 16:20:11       -9.435440         0.193177
BFGS:   33 16:20:11       -9.442770         0.191460
BFGS:   34 16:20:11       -9.449523         0.187215
BFGS:   35 16:20:11       -9.455566         0.178418
BFGS:   36 16:20:11       -9.460808         0.161966
BFGS:   37 16:20:11       -9.465264         0.139880
BFGS:   38 16:20:11       -9.468976         0.116509
BFGS:   39 16:20:11       -9.472001         0.093997
BFGS:   40 16:20:11       -9.474407         0.073380
BFGS:   41 16:20:11       -9.476266         0.055144
BFGS:   42 16:20:11       -9.477648         0.039506
BFGS:   43 16:20:11       -9.478626         0.026543
BFGS:   44 16:20:11       -9.479270         0.016260
BFGS:   45 16:20:11       -9.479651         0.008616
BFGS:   46 16:20:11       -9.479838         0.003524
BFGS:   47 16:20:11       -9.479891         0.001366
BFGS:   48 16:20:11       -9.479903         0.000575
BFGS:   49 16:20:11       -9.479905         0.000231
BFGS:   50 16:20:11       -9.479906         0.000086
BFGS:   51 16:20:11       -9.479906         0.000030
BFGS:   52 16:20:11       -9.479906         0.000011
BFGS:   53 16:20:11       -9.479906         0.000004
BFGS:   54 16:20:11       -9.479906         0.000002
BFGS:   55 16:20:11       -9.479906         0.000001
BFGS:   56 16:20:11       -9.479906         0.000000
BFGS:   57 16:20:11       -9.479906         0.000000
BFGS:   58 16:20:11       -9.479906         0.000000
BFGS:   59 16:20:11       -9.479906         0.000000
BFGS:   60 16:20:11       -9.479906         0.000000
Minimization converged after 60 steps.
Maximum force component: 2.202752488696799e-09 eV/Angstrom
Maximum stress component: 4.857062461157579e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'H', 'H']
basis =  [[0.33333333 0.66666667 0.68976606]
 [0.66666666 0.33333334 0.18976606]
 [0.66666666 0.33333334 0.31023394]
 [0.33333333 0.66666667 0.81023394]]
cellpar =  Cell([[5.198555354274552, -4.2364227970823714e-17, 3.129704145952759e-36], [-2.599277677137276, 4.502080999781373, -1.3361548271554577e-36], [5.978180441002252e-36, 4.7220376429543643e-35, 6.138082658551262]])
forces =  [[-1.05921789e-36 -4.23373680e-37 -2.20275249e-09]
 [-4.56278477e-36  1.12899642e-36 -2.20275249e-09]
 [ 1.05921789e-36  4.23373680e-37  2.20275249e-09]
 [ 4.56278477e-36 -1.12899642e-36  2.20275249e-09]]
stress =  [-1.63130717e-11 -1.63130717e-11 -4.85706246e-11 -6.80604039e-39
  3.92946882e-39 -1.45643275e-27]
energy per atom =  -2.36559501398054
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0
Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 1