element(s):
['Ge']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7441']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Ge__MO_216597146527_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.7441, 0, 0], [0, 5.7441, 0], [0, 0, 5.7441]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:25:47      -33.394557         0.570388
BFGS:    1 15:25:47      -33.408169         0.543280
BFGS:    2 15:25:47      -33.477004         0.373281
BFGS:    3 15:25:47      -33.519665         0.193534
BFGS:    4 15:25:47      -33.534423         0.001233
BFGS:    5 15:25:47      -33.534424         0.000039
BFGS:    6 15:25:47      -33.534424         0.000000
Minimization converged after 6 steps.
Maximum force component: 3.614536737685695e-31 eV/Angstrom
Maximum stress component: 3.222137293649979e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.65945106e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.630324324443248, 8.949405978400803e-34, -6.1607699787891596e-34], [-8.106463243887482e-34, 5.630324324443248, 6.838904471816307e-19], [-2.6893859809687578e-33, 6.83890447181633e-19, 5.630324324443248]])
forces =  [[ 2.19763834e-31  8.96405111e-32  2.16872204e-31]
 [ 1.73497763e-32 -8.67488817e-32 -1.15665176e-31]
 [-5.78325878e-32 -2.34221981e-31  1.15665176e-32]
 [ 5.20493290e-32  9.25321405e-32 -5.20493290e-32]
 [ 1.46027284e-31 -2.25547092e-31  3.03621086e-32]
 [-1.30123323e-31 -1.41689840e-31 -3.61453674e-31]
 [ 1.06990287e-31  1.38798211e-31  2.22655463e-31]
 [-3.75911821e-32  1.14219361e-31 -6.72303833e-32]]
stress =  [ 3.22213729e-10  3.22213729e-10  3.22213729e-10 -3.17677822e-27
  8.10051066e-36 -9.56041866e-52]
energy per atom =  -4.191802942542154
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0