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_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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 14:46:37      -26.346953         1.278446
BFGS:    1 14:46:37      -26.392452         1.126169
BFGS:    2 14:46:37      -26.492347         0.753537
BFGS:    3 14:46:37      -26.559911         0.472670
BFGS:    4 14:46:37      -26.597738         0.506412
BFGS:    5 14:46:37      -26.608990         0.479394
BFGS:    6 14:46:37      -26.613481         0.402358
BFGS:    7 14:46:37      -26.622975         0.105715
BFGS:    8 14:46:37      -26.624244         0.030781
BFGS:    9 14:46:37      -26.624363         0.002657
BFGS:   10 14:46:37      -26.624365         0.000495
BFGS:   11 14:46:37      -26.624365         0.000028
BFGS:   12 14:46:37      -26.624365         0.000001
BFGS:   13 14:46:37      -26.624365         0.000000
Minimization converged after 13 steps.
Maximum force component: 9.282758099170857e-32 eV/Angstrom
Maximum stress component: 4.028411106526935e-10 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([[2.9127604781336616, -1.8533015225212472e-19, -1.4770413664284527e-35], [-1.4563802390668308, 2.5225245692030587, -3.0931425684479155e-35], [-5.526172335571487e-35, -1.4271848036469611e-34, 9.512928102012546]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.19675149e-32  9.06865046e-33  9.28275810e-32]
 [ 1.15935301e-32 -9.71641121e-33  8.88002838e-68]]
stress =  [-4.02841111e-10 -4.02841111e-10  2.10671992e-10 -2.14022577e-35
 -3.70697984e-35  1.51106625e-25]
energy per atom =  -6.656091198132788
===============================================
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 "alpha-La" 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.