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 15:26:06      -26.332256         1.251536
BFGS:    1 15:26:06      -26.353844         1.162513
BFGS:    2 15:26:06      -26.405421         0.885612
BFGS:    3 15:26:06      -26.443171         0.578615
BFGS:    4 15:26:06      -26.468577         0.349654
BFGS:    5 15:26:06      -26.485184         0.432949
BFGS:    6 15:26:06      -26.497375         0.473458
BFGS:    7 15:26:06      -26.509310         0.444128
BFGS:    8 15:26:06      -26.528301         0.346686
BFGS:    9 15:26:07      -26.547273         0.204163
BFGS:   10 15:26:07      -26.557941         0.079787
BFGS:   11 15:26:07      -26.558379         0.043489
BFGS:   12 15:26:07      -26.559091         0.005616
BFGS:   13 15:26:07      -26.559098         0.000674
BFGS:   14 15:26:07      -26.559098         0.000018
BFGS:   15 15:26:07      -26.559098         0.000002
BFGS:   16 15:26:07      -26.559098         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.19504272872939e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 1.69019843e-50 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.921543682785056, 1.0840889026171158e-17, 5.379169545432637e-35], [-1.460771841392528, 2.530131047557804, 1.1354131609274001e-34], [1.6979117276503657e-34, 5.003116200871544e-34, 8.930007094387552]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.14982989e-11 -3.14982989e-11 -3.19504273e-11 -1.59115482e-34
  1.96854356e-34  1.25692189e-28]
energy per atom =  -6.607612708515147
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0