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:
Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_004
==== 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 16:56:42      -13.669318        5.7219
BFGS:    1 16:56:42      -13.891362        2.7837
BFGS:    2 16:56:42      -13.977714        1.0911
BFGS:    3 16:56:42      -14.020881        0.8602
BFGS:    4 16:56:42      -14.062451        0.4833
BFGS:    5 16:56:42      -14.077786        0.0769
BFGS:    6 16:56:42      -14.077942        0.0782
BFGS:    7 16:56:42      -14.078261        0.0624
BFGS:    8 16:56:42      -14.078584        0.0382
BFGS:    9 16:56:42      -14.078742        0.0301
BFGS:   10 16:56:42      -14.078797        0.0167
BFGS:   11 16:56:42      -14.078842        0.0211
BFGS:   12 16:56:42      -14.078914        0.0242
BFGS:   13 16:56:42      -14.078983        0.0218
BFGS:   14 16:56:42      -14.079017        0.0150
BFGS:   15 16:56:42      -14.079026        0.0097
BFGS:   16 16:56:42      -14.079029        0.0064
BFGS:   17 16:56:42      -14.079031        0.0041
BFGS:   18 16:56:42      -14.079033        0.0022
BFGS:   19 16:56:42      -14.079033        0.0004
BFGS:   20 16:56:42      -14.079033        0.0001
BFGS:   21 16:56:42      -14.079033        0.0000
BFGS:   22 16:56:42      -14.079033        0.0000
BFGS:   23 16:56:42      -14.079033        0.0000
Minimization converged after 23 steps.
Maximum force component: 8.748723440577673e-10 eV/Angstrom
Maximum stress component: 3.7806138412610044e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[5.23772410e-52 2.50000000e-01 1.25000000e-01]
 [1.04754482e-51 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([[5.102912368264693, 7.954956804407423e-36, 0.0], [-4.2621700999317107e-35, 5.102912367207627, 0.0], [0.0, 0.0, 2.6814943717786965]])
forces =  [[ 0.00000000e+00  0.00000000e+00 -8.74872344e-10]
 [ 6.28982511e-32 -7.86228139e-33  8.74872344e-10]
 [-6.28982511e-32  7.86228139e-33 -8.74872344e-10]
 [ 0.00000000e+00  0.00000000e+00  8.74872344e-10]]
stress =  [3.78061384e-10 2.61697472e-10 1.54283374e-10 0.00000000e+00
 0.00000000e+00 9.71921038e-46]
energy per atom =  -3.5197583005127084
===============================================
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.