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_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005
==== 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 15:19:48      -26.332256        1.2515
BFGS:    1 15:19:48      -26.353844        1.1625
BFGS:    2 15:19:48      -26.405421        0.8856
BFGS:    3 15:19:48      -26.443171        0.5786
BFGS:    4 15:19:48      -26.468577        0.3497
BFGS:    5 15:19:48      -26.485184        0.4329
BFGS:    6 15:19:48      -26.497375        0.4735
BFGS:    7 15:19:48      -26.509310        0.4441
BFGS:    8 15:19:48      -26.528301        0.3467
BFGS:    9 15:19:48      -26.547273        0.2042
BFGS:   10 15:19:48      -26.557941        0.0798
BFGS:   11 15:19:48      -26.558379        0.0435
BFGS:   12 15:19:48      -26.559091        0.0056
BFGS:   13 15:19:48      -26.559098        0.0007
BFGS:   14 15:19:48      -26.559098        0.0000
BFGS:   15 15:19:48      -26.559098        0.0000
BFGS:   16 15:19:48      -26.559098        0.0000
Minimization converged after 16 steps.
Maximum force component: 4.5862848177790516e-32 eV/Angstrom
Maximum stress component: 3.1949778384984105e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.33333333 0.66666667 0.25      ]
 [0.66666667 0.33333333 0.75      ]]
cellpar =  Cell([[2.9215436827850563, 1.6906902082052855e-17, -2.681564883366429e-34], [-1.4607718413925281, 2.5301310475578056, -5.419484361445903e-34], [-8.872473814397084e-34, -2.5434636789131413e-33, 8.930007094387554]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.55673680e-66 -1.30627543e-65  4.58628482e-32]
 [ 3.64538944e-66  1.04502034e-65 -3.66902785e-32]]
stress =  [-3.14976511e-11 -3.14976511e-11 -3.19497784e-11 -3.63692531e-34
 -2.93452851e-43  3.12931212e-27]
energy per atom =  -6.607612708515146
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0