element(s):
['Ge']
AFLOW prototype label:
A_oI4_74_e
Parameter names:
['a', 'b/a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1963', '0.99289879', '0.54889056', '0.13235996']
model name:
SW_DingAndersen_1986_Ge__MO_775478537242_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0.         0.25       0.13235996]]
spacegroup =  74
cell =  [[5.1963, 0, 0], [0, 5.1594, 0], [0, 0, 2.8522]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:21:47      -11.377763         7.203531
BFGS:    1 14:21:47      -11.910590         4.977157
BFGS:    2 14:21:47      -12.238257         3.089832
BFGS:    3 14:21:47      -12.405965         1.536619
BFGS:    4 14:21:47      -12.457781         0.417783
BFGS:    5 14:21:47      -12.462789         0.319134
BFGS:    6 14:21:47      -12.470929         0.407322
BFGS:    7 14:21:47      -12.483567         0.442313
BFGS:    8 14:21:47      -12.497576         0.342407
BFGS:    9 14:21:47      -12.505599         0.168207
BFGS:   10 14:21:47      -12.508281         0.106091
BFGS:   11 14:21:47      -12.509364         0.113001
BFGS:   12 14:21:47      -12.509952         0.094346
BFGS:   13 14:21:47      -12.510228         0.050493
BFGS:   14 14:21:47      -12.510336         0.029626
BFGS:   15 14:21:47      -12.510378         0.022420
BFGS:   16 14:21:47      -12.510396         0.010854
BFGS:   17 14:21:47      -12.510402         0.003673
BFGS:   18 14:21:47      -12.510403         0.000308
BFGS:   19 14:21:47      -12.510403         0.000110
BFGS:   20 14:21:47      -12.510403         0.000020
BFGS:   21 14:21:47      -12.510403         0.000002
BFGS:   22 14:21:47      -12.510403         0.000000
BFGS:   23 14:21:47      -12.510403         0.000000
Minimization converged after 23 steps.
Maximum force component: 3.094396921858589e-09 eV/Angstrom
Maximum stress component: 3.1109536029265774e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[2.59586568e-52 2.50000000e-01 1.25000000e-01]
 [0.00000000e+00 7.50000000e-01 8.75000000e-01]
 [5.00000000e-01 7.50000000e-01 6.25000000e-01]
 [5.00000000e-01 2.50000000e-01 3.75000000e-01]]
cellpar =  Cell([[5.148118281383876, -1.1560450532716651e-35, 0.0], [1.7732291322662023e-35, 5.1481182817206115, 0.0], [0.0, 0.0, 3.1157131109965217]])
forces =  [[-1.26910914e-31  2.84987109e-67 -3.09439692e-09]
 [ 0.00000000e+00  0.00000000e+00  3.09439692e-09]
 [ 0.00000000e+00  0.00000000e+00 -3.09439692e-09]
 [ 1.26910914e-31 -2.84987109e-67  3.09439692e-09]]
stress =  [5.69153211e-11 2.71216542e-10 3.11095360e-10 0.00000000e+00
 0.00000000e+00 5.81344328e-35]
energy per atom =  -3.1276006753364767
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oI4_74_e, while relaxed is A_tI4_141_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.