element(s):
['Ge']
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:
['2.96', '1.708277']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.96, 0, 0], [-1.48, 2.5634351952019, 0], [0, 0, 5.0565]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:00:00      -17.375451        15.703882
BFGS:    1 15:00:00      -19.820695        17.783401
BFGS:    2 15:00:00      -22.604969        20.025670
BFGS:    3 15:00:00      -25.748043        22.168516
BFGS:    4 15:00:00      -29.196671        24.596550
BFGS:    5 15:00:00      -32.819305        26.627774
BFGS:    6 15:00:00      -36.324702        27.737306
BFGS:    7 15:00:00      -39.140560        27.038720
BFGS:    8 15:00:00      -41.334480        24.030221
BFGS:    9 15:00:00      -43.657850        16.465123
BFGS:   10 15:00:00      -44.968049         4.030519
BFGS:   11 15:00:00      -44.802520        10.581189
BFGS:   12 15:00:00      -44.993298         0.652886
BFGS:   13 15:00:00      -44.994262         0.391078
BFGS:   14 15:00:00      -44.994684         0.003758
BFGS:   15 15:00:00      -44.994684         0.000073
BFGS:   16 15:00:00      -44.994684         0.000000
BFGS:   17 15:00:01      -44.994684         0.000000
Minimization converged after 17 steps.
Maximum force component: 4.603308973081038e-31 eV/Angstrom
Maximum stress component: 8.674260433233981e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.3341549531048686, 2.318550647692489e-17, -1.290675233216044e-34], [-1.1670774765524343, 2.021437485758091, -1.5643478569946916e-34], [-3.45530200753602e-34, -6.036104953720423e-34, 3.811735112408029]])
forces =  [[-4.60330897e-31  2.65772167e-31 -3.59816056e-66]
 [ 4.60330897e-31 -2.65772167e-31  3.59816056e-66]]
stress =  [8.67426043e-11 8.67426043e-11 8.62708117e-11 1.06646393e-32
 3.69433944e-33 1.73250808e-26]
energy per atom =  -22.497342056975196
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0