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:
SW_DingAndersen_1986_Ge__MO_775478537242_000
==== 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 13:58:28       -4.035048        12.245105
BFGS:    1 13:58:28       -5.233769         4.785115
BFGS:    2 13:58:28       -5.465006         0.930675
BFGS:    3 13:58:28       -5.477294         0.414468
BFGS:    4 13:58:28       -5.481939         0.498751
BFGS:    5 13:58:28       -5.486728         0.343136
BFGS:    6 13:58:28       -5.488131         0.105066
BFGS:    7 13:58:28       -5.488244         0.017314
BFGS:    8 13:58:28       -5.488248         0.002318
BFGS:    9 13:58:28       -5.488249         0.000217
BFGS:   10 13:58:28       -5.488249         0.000016
BFGS:   11 13:58:28       -5.488249         0.000000
BFGS:   12 13:58:28       -5.488249         0.000000
Minimization converged after 12 steps.
Maximum force component: 4.2012420269965894e-32 eV/Angstrom
Maximum stress component: 8.097004111084292e-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([[3.1308635070693667, -3.620078766364853e-17, -1.2310083513332612e-36], [-1.5654317535346833, 2.7114073329037103, -2.0869031570267336e-36], [-8.531984981287486e-35, -3.04024810517385e-34, 5.1126786981372385]])
forces =  [[ 6.43181203e-33 -7.43681930e-50 -4.20124203e-32]
 [-7.01098895e-67 -2.49826341e-66  4.20124203e-32]]
stress =  [-8.09700411e-11 -8.09700411e-11 -1.56240745e-11 -1.33373163e-33
 -2.56676772e-34 -1.98646960e-26]
energy per atom =  -2.7441243372124595
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0