element(s):
['Ge']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.0346', '0.10153438']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0.10153438 0.10153438 0.10153438]]
spacegroup =  206
cell =  [[7.0346, 0, 0], [0, 7.0346, 0], [0, 0, 7.0346]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:37:41     -125.067004        9.6491
BFGS:    1 17:37:41     -126.512345        9.6142
BFGS:    2 17:37:41     -127.952716        9.5804
BFGS:    3 17:37:41     -129.390290        9.5446
BFGS:    4 17:37:41     -130.824968        9.5040
BFGS:    5 17:37:41     -132.255763        9.4564
BFGS:    6 17:37:41     -133.681390        9.4084
BFGS:    7 17:37:41     -135.103056        9.3666
BFGS:    8 17:37:41     -136.516245        9.2886
BFGS:    9 17:37:41     -137.918060        9.1977
BFGS:   10 17:37:41     -139.306070        9.0925
BFGS:   11 17:37:41     -140.677677        8.9715
BFGS:   12 17:37:41     -142.030119        8.8333
BFGS:   13 17:37:41     -143.360466        8.6765
BFGS:   14 17:37:41     -144.665611        8.4996
BFGS:   15 17:37:41     -145.942260        8.3010
BFGS:   16 17:37:41     -147.186914        8.0792
BFGS:   17 17:37:41     -148.395859        7.8326
BFGS:   18 17:37:41     -149.565145        7.5594
BFGS:   19 17:37:41     -150.690577        7.2579
BFGS:   20 17:37:41     -151.767691        6.9261
BFGS:   21 17:37:41     -152.791739        6.5621
BFGS:   22 17:37:41     -153.757671        6.1637
BFGS:   23 17:37:41     -154.664011        5.7548
BFGS:   24 17:37:41     -155.503461        5.2993
BFGS:   25 17:37:41     -156.268180        4.7848
BFGS:   26 17:37:41     -156.951331        4.2261
BFGS:   27 17:37:41     -157.547807        3.6553
BFGS:   28 17:37:41     -158.051733        2.9999
BFGS:   29 17:37:41     -158.452323        2.2913
BFGS:   30 17:37:41     -158.741324        1.5262
BFGS:   31 17:37:41     -158.910961        0.7184
BFGS:   32 17:37:41     -158.955853        0.0548
BFGS:   33 17:37:41     -158.956129        0.0065
BFGS:   34 17:37:41     -158.956133        0.0045
BFGS:   35 17:37:41     -158.956135        0.0005
BFGS:   36 17:37:41     -158.956135        0.0001
BFGS:   37 17:37:41     -158.956135        0.0000
BFGS:   38 17:37:41     -158.956135        0.0000
BFGS:   39 17:37:41     -158.956135        0.0000
Minimization converged after 39 steps.
Maximum force component: 2.2377217908016682e-10 eV/Angstrom
Maximum stress component: 1.9304663619505595e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.10767497 0.10767497 0.10767497]
 [0.39232503 0.89232503 0.60767497]
 [0.89232503 0.60767497 0.39232503]
 [0.60767497 0.39232503 0.89232503]
 [0.60767497 0.60767497 0.60767497]
 [0.89232503 0.39232503 0.10767497]
 [0.39232503 0.10767497 0.89232503]
 [0.10767497 0.89232503 0.39232503]
 [0.89232503 0.89232503 0.89232503]
 [0.60767497 0.10767497 0.39232503]
 [0.10767497 0.39232503 0.60767497]
 [0.39232503 0.60767497 0.10767497]
 [0.39232503 0.39232503 0.39232503]
 [0.10767497 0.60767497 0.89232503]
 [0.60767497 0.89232503 0.10767497]
 [0.89232503 0.10767497 0.60767497]]
cellpar =  Cell([[6.335093390149529, -1.1334477112872584e-36, -1.5888120638464715e-68], [-2.11446948228017e-37, 6.335093390149529, -6.288567413862902e-49], [-1.4863688306824943e-84, -8.88022685442848e-32, 6.335093390149529]])
forces =  [[ 2.23772179e-10  2.23772179e-10  2.23772179e-10]
 [-2.23772179e-10 -2.23772179e-10  2.23772179e-10]
 [-2.23772179e-10  2.23772179e-10 -2.23772179e-10]
 [ 2.23772179e-10 -2.23772179e-10 -2.23772179e-10]
 [ 2.23772179e-10  2.23772179e-10  2.23772179e-10]
 [-2.23772179e-10 -2.23772179e-10  2.23772179e-10]
 [-2.23772179e-10  2.23772179e-10 -2.23772179e-10]
 [ 2.23772179e-10 -2.23772179e-10 -2.23772179e-10]
 [-2.23772179e-10 -2.23772179e-10 -2.23772179e-10]
 [ 2.23772179e-10  2.23772179e-10 -2.23772179e-10]
 [ 2.23772179e-10 -2.23772179e-10  2.23772179e-10]
 [-2.23772179e-10  2.23772179e-10  2.23772179e-10]
 [-2.23772179e-10 -2.23772179e-10 -2.23772179e-10]
 [ 2.23772179e-10  2.23772179e-10 -2.23772179e-10]
 [ 2.23772179e-10 -2.23772179e-10  2.23772179e-10]
 [-2.23772179e-10  2.23772179e-10  2.23772179e-10]]
stress =  [ 1.93046636e-11  1.93046636e-11  1.93046636e-11  9.95403966e-60
 -1.83685202e-64 -1.31039773e-32]
energy per atom =  -9.934758465522005
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0