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 14:25:37      -26.346953         1.278446
BFGS:    1 14:25:37      -26.392452         1.126169
BFGS:    2 14:25:37      -26.492347         0.753537
BFGS:    3 14:25:37      -26.559911         0.472670
BFGS:    4 14:25:37      -26.597738         0.506412
BFGS:    5 14:25:37      -26.608990         0.479394
BFGS:    6 14:25:37      -26.613481         0.402358
BFGS:    7 14:25:37      -26.622974         0.105716
BFGS:    8 14:25:37      -26.624244         0.030781
BFGS:    9 14:25:38      -26.624363         0.002658
BFGS:   10 14:25:38      -26.624365         0.000495
BFGS:   11 14:25:38      -26.624365         0.000028
BFGS:   12 14:25:38      -26.624365         0.000001
BFGS:   13 14:25:38      -26.624365         0.000000
Minimization converged after 13 steps.
Maximum force component: 8.975636206345397e-33 eV/Angstrom
Maximum stress component: 4.0155088665946993e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.11911887e-51 4.23823774e-51 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.9127604798474165, -2.954905553033432e-17, -1.2569625550495507e-35], [-1.4563802399237082, 2.522524570687214, -2.3716551862335653e-35], [-4.649625292827271e-35, -9.630348578546013e-35, 9.5129281030428]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-8.97563621e-33  5.18208598e-33 -2.28994124e-68]
 [ 8.22766652e-33 -6.47760747e-33  4.15353153e-68]]
stress =  [-4.01550887e-10 -4.01550887e-10  2.10115134e-10 -2.14022581e-34
 -7.41395969e-35  1.45262912e-25]
energy per atom =  -6.656091191018061
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0