element(s):
['Mg']
AFLOW prototype label:
A_hP2_194_c
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:
['3.1895', '1.6237655']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.1895, 0, 0], [-1.59475, 2.7621880253705, 0], [0, 0, 5.179]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:47:32       -3.099227         0.079797
BFGS:    1 15:47:32       -3.099395         0.071454
BFGS:    2 15:47:32       -3.100031         0.006805
BFGS:    3 15:47:32       -3.100032         0.005101
BFGS:    4 15:47:32       -3.100034         0.004358
BFGS:    5 15:47:32       -3.100037         0.003944
BFGS:    6 15:47:33       -3.100039         0.002078
BFGS:    7 15:47:33       -3.100039         0.000756
BFGS:    8 15:47:33       -3.100040         0.000129
BFGS:    9 15:47:33       -3.100040         0.000006
BFGS:   10 15:47:33       -3.100040         0.000000
BFGS:   11 15:47:33       -3.100040         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.0703958404466488e-32 eV/Angstrom
Maximum stress component: 4.0823704343461373e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.1991800969149273, 1.5181229262974887e-18, -2.3266966607240554e-38], [-1.5995900484574637, 2.7705712352098892, -7.03877506112959e-38], [5.023800212538129e-38, 8.648569066599027e-37, 5.210449649756139]])
forces =  [[-8.72864539e-34  8.89321017e-35 -1.07039584e-32]
 [ 8.72864539e-34 -8.89321017e-35  1.07039584e-32]]
stress =  [-2.94159593e-10 -2.94159593e-10 -4.08237043e-10 -1.33412328e-35
  7.70256432e-36 -2.66463318e-28]
energy per atom =  -1.5500197728422
===============================================
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 "Hexagonal Close Packed" 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.