element(s):
['Mo']
AFLOW prototype label:
A_hP4_194_ac
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7695', '3.5762773']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Mo__MO_230319944007_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo', 'Mo']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.7695, 0, 0], [-1.38475, 2.398457355781, 0], [0, 0, 9.9045]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:10:07      -26.346953         1.278446
BFGS:    1 16:10:07      -26.392452         1.126169
BFGS:    2 16:10:07      -26.492347         0.753537
BFGS:    3 16:10:07      -26.559911         0.472670
BFGS:    4 16:10:07      -26.597738         0.506412
BFGS:    5 16:10:07      -26.608990         0.479394
BFGS:    6 16:10:07      -26.613481         0.402358
BFGS:    7 16:10:07      -26.622974         0.105716
BFGS:    8 16:10:07      -26.624244         0.030781
BFGS:    9 16:10:07      -26.624363         0.002658
BFGS:   10 16:10:07      -26.624365         0.000495
BFGS:   11 16:10:07      -26.624365         0.000028
BFGS:   12 16:10:07      -26.624365         0.000001
BFGS:   13 16:10:07      -26.624365         0.000000
Minimization converged after 13 steps.
Maximum force component: 4.8856621579874646e-32 eV/Angstrom
Maximum stress component: 4.015491239616985e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.19009589e-51 5.29779718e-51 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.912760479847419, -2.949308281685022e-17, -6.12174754498616e-36], [-1.4563802399237096, 2.522524570687216, -1.3090591626183713e-35], [-1.283309671964701e-35, -4.168592516280024e-35, 9.5129281030428]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.54309693e-32 -1.29552149e-32 -4.88566216e-32]
 [-2.24390905e-32  7.77312897e-33 -2.61031774e-69]]
stress =  [-4.01549124e-10 -4.01549124e-10  2.10116099e-10  1.71218065e-34
 -2.96558388e-34  3.99668508e-26]
energy per atom =  -6.656091191018069
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0