element(s):
['Ge']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2619']
model name:
EDIP_BelkoGusakovDorozhkin_2010_Ge__MO_129433059219_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2619, 0, 0], [0, 4.2619, 0], [0, 0, 4.2619]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:15:08       -7.814340        56.281095
BFGS:    1 15:15:08      -16.106503        53.607117
BFGS:    2 15:15:08      -23.665433        46.326401
BFGS:    3 15:15:08      -29.736930        33.738380
BFGS:    4 15:15:08      -33.537343        16.175125
BFGS:    5 15:15:08      -34.473411         2.797852
BFGS:    6 15:15:08      -34.501438         0.045793
BFGS:    7 15:15:08      -34.501445         0.000030
BFGS:    8 15:15:09      -34.501445         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9159991847301884e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.51480386e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.5169396796034995, -3.616599449324774e-33, 1.9794166112687796e-32], [4.317531961378975e-33, 4.5169396796034995, 3.0259733820755015e-18], [2.4820053570432403e-32, 3.0259733820754838e-18, 4.5169396796034995]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.91599918e-11 1.91599918e-11 1.91599918e-11 1.72265803e-26
 2.51721688e-35 1.13322266e-50]
energy per atom =  -8.62536134018695
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0