element(s):
['Mo']
AFLOW prototype label:
A_hP1_191_a
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:
['2.7779', '0.90949998']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[2.7779, 0, 0], [-1.38895, 2.4057319691728, 0], [0, 0, 2.5265]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:46:37       -5.486029         1.539086
BFGS:    1 14:46:37       -5.512637         0.908713
BFGS:    2 14:46:37       -5.532669         0.263735
BFGS:    3 14:46:37       -5.535730         0.040292
BFGS:    4 14:46:37       -5.535806         0.009027
BFGS:    5 14:46:37       -5.535808         0.004681
BFGS:    6 14:46:37       -5.535809         0.000214
BFGS:    7 14:46:37       -5.535809         0.000013
BFGS:    8 14:46:37       -5.535809         0.000000
BFGS:    9 14:46:37       -5.535809         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.638145529150129e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.796422794027026, 5.995204510853821e-18, -1.250586667472874e-35], [-1.398211397013513, 2.421773179349262, -1.252872002167797e-35], [-4.6846659154807295e-35, -1.6406624331906327e-34, 2.7121091535347523]])
forces =  [[0. 0. 0.]]
stress =  [ 6.63814553e-11  6.63814553e-11 -5.11728637e-11  8.10895759e-45
  2.47319772e-45  2.55662314e-26]
energy per atom =  -5.535808703459192
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 
ERROR(@kim_property_modify): input value "Simple Hexagonal Lattice" doesn't meet the format specification. An integer equal to or greater than 1 or integer indices range of "start:stop".
No parameter sets in this group successfully added a property instance. Skipping this group.