element(s):
['Ge']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0525', '3.2827144', '0.093193141', '0.65583867']
model name:
SNAP_ZuoChenLi_2019quadratic_Ge__MO_766484508139_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge', 'Ge']
representative atom coordinates =  [[0.         0.         0.09319314]
 [0.33333333 0.66666667 0.15583867]]
spacegroup =  194
cell =  [[4.0525, 0, 0], [-2.02625, 3.5095679488364, 0], [0, 0, 13.3032]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:44:42      -35.897993        0.1929
BFGS:    1 15:44:42      -35.901291        0.1814
BFGS:    2 15:44:42      -35.908468        0.1235
BFGS:    3 15:44:42      -35.909157        0.1122
BFGS:    4 15:44:42      -35.913394        0.0665
BFGS:    5 15:44:42      -35.914033        0.0683
BFGS:    6 15:44:42      -35.914202        0.0630
BFGS:    7 15:44:42      -35.914296        0.0565
BFGS:    8 15:44:42      -35.914520        0.0382
BFGS:    9 15:44:42      -35.914778        0.0418
BFGS:   10 15:44:43      -35.915013        0.0344
BFGS:   11 15:44:43      -35.915118        0.0160
BFGS:   12 15:44:43      -35.915149        0.0082
BFGS:   13 15:44:43      -35.915155        0.0028
BFGS:   14 15:44:43      -35.915155        0.0005
BFGS:   15 15:44:43      -35.915156        0.0001
BFGS:   16 15:44:43      -35.915156        0.0000
BFGS:   17 15:44:43      -35.915156        0.0000
BFGS:   18 15:44:43      -35.915156        0.0000
BFGS:   19 15:44:43      -35.915156        0.0000
Minimization converged after 19 steps.
Maximum force component: 1.9880718080903664e-09 eV/Angstrom
Maximum stress component: 2.4704832640622275e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.00000000e+00 0.00000000e+00 9.43437005e-02]
 [3.44052646e-36 5.18741936e-36 5.94343701e-01]
 [0.00000000e+00 0.00000000e+00 9.05656299e-01]
 [6.84946980e-36 0.00000000e+00 4.05656299e-01]
 [3.33333333e-01 6.66666667e-01 1.56028173e-01]
 [6.66666667e-01 3.33333333e-01 6.56028173e-01]
 [6.66666667e-01 3.33333333e-01 8.43971827e-01]
 [3.33333333e-01 6.66666667e-01 3.43971827e-01]]
cellpar =  Cell([[4.083291994408461, -8.496672024618246e-18, 3.419075765228702e-37], [-2.0416459972042307, 3.536234598227353, 9.888700407205678e-37], [2.6924005435931665e-36, 6.903938639871435e-36, 13.231716644043885]])
forces =  [[ 3.04826226e-46  7.81645052e-46  1.49805877e-09]
 [ 3.04826226e-46  7.81645052e-46  1.49805877e-09]
 [ 6.71072796e-32 -1.16233218e-31 -1.49805877e-09]
 [-3.04826226e-46 -7.81645052e-46 -1.49805877e-09]
 [-4.04534480e-46 -1.03732011e-45 -1.98807181e-09]
 [-4.04534480e-46 -1.03732011e-45 -1.98807181e-09]
 [ 4.04534480e-46  1.03732011e-45  1.98807181e-09]
 [ 4.04534480e-46  1.03732011e-45  1.98807181e-09]]
stress =  [ 2.47048326e-11  2.47048326e-11 -2.20107229e-11 -6.14667122e-34
  1.52090669e-34  9.73833730e-27]
energy per atom =  0.4161875831690889
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0