element(s):
['Ge']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0447', '1.6504562', '0.56285163']
model name:
SW_DingAndersen_1986_Ge__MO_775478537242_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0.33333333 0.66666667 0.06285163]]
spacegroup =  194
cell =  [[4.0447, 0, 0], [-2.02235, 3.5028129506869, 0], [0, 0, 6.6756]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:21:45      -15.390799         0.647384
BFGS:    1 14:21:45      -15.401643         0.566950
BFGS:    2 14:21:45      -15.436114         0.143031
BFGS:    3 14:21:45      -15.439133         0.083473
BFGS:    4 14:21:45      -15.439469         0.043342
BFGS:    5 14:21:45      -15.439652         0.037145
BFGS:    6 14:21:45      -15.439710         0.038273
BFGS:    7 14:21:45      -15.439906         0.028288
BFGS:    8 14:21:45      -15.439980         0.016228
BFGS:    9 14:21:45      -15.439999         0.003631
BFGS:   10 14:21:45      -15.440000         0.000287
BFGS:   11 14:21:45      -15.440000         0.000020
BFGS:   12 14:21:45      -15.440000         0.000001
BFGS:   13 14:21:45      -15.440000         0.000000
BFGS:   14 14:21:45      -15.440000         0.000000
Minimization converged after 14 steps.
Maximum force component: 4.714344376412068e-10 eV/Angstrom
Maximum stress component: 8.721364627350158e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.33333333 0.66666667 0.0625    ]
 [0.66666666 0.33333334 0.5625    ]
 [0.66666666 0.33333334 0.9375    ]
 [0.33333333 0.66666667 0.4375    ]]
cellpar =  Cell([[3.9977137843559403, 2.931654544059873e-18, -1.115835153670181e-36], [-1.9988568921779701, 3.4621216943114694, -2.463375322295827e-36], [1.3488406372859913e-36, 3.4037033215613e-36, 6.5282392729619465]])
forces =  [[-1.23189067e-31  3.27166909e-31 -4.71434438e-10]
 [-9.85512536e-32 -5.68985928e-32 -4.71434438e-10]
 [ 3.85992410e-31 -3.27166909e-31  4.71434438e-10]
 [ 9.85512536e-32  5.68985928e-32  4.71434438e-10]]
stress =  [ 8.72136463e-12  8.72136463e-12  1.70087691e-12  4.54465396e-34
 -4.72294293e-34 -5.60980793e-27]
energy per atom =  -3.859999999926356
===============================================
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 "Lonsdaleite" 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.