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_MahdizadehAkhlamadi_2017_Ge__MO_344019981553_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 16:08:51      -16.562180         9.717060
BFGS:    1 16:08:51      -16.969776         5.069976
BFGS:    2 16:08:51      -17.223962         2.490062
BFGS:    3 16:08:51      -17.467956         2.200558
BFGS:    4 16:08:51      -17.661883         1.856364
BFGS:    5 16:08:51      -17.801985         1.452252
BFGS:    6 16:08:51      -17.886205         0.983500
BFGS:    7 16:08:51      -17.916690         0.448318
BFGS:    8 16:08:51      -17.920327         0.362269
BFGS:    9 16:08:51      -17.934343         0.140884
BFGS:   10 16:08:51      -17.936100         0.047317
BFGS:   11 16:08:51      -17.936343         0.016097
BFGS:   12 16:08:51      -17.936358         0.014720
BFGS:   13 16:08:51      -17.936426         0.021695
BFGS:   14 16:08:51      -17.936445         0.023058
BFGS:   15 16:08:51      -17.936468         0.019092
BFGS:   16 16:08:51      -17.936490         0.019351
BFGS:   17 16:08:51      -17.936512         0.012098
BFGS:   18 16:08:51      -17.936520         0.003579
BFGS:   19 16:08:51      -17.936521         0.000534
BFGS:   20 16:08:51      -17.936521         0.000066
BFGS:   21 16:08:51      -17.936521         0.000004
BFGS:   22 16:08:51      -17.936521         0.000000
BFGS:   23 16:08:51      -17.936521         0.000000
BFGS:   24 16:08:51      -17.936521         0.000000
Minimization converged after 24 steps.
Maximum force component: 1.5216285900558622e-09 eV/Angstrom
Maximum stress component: 1.750229797609032e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.    0.25  0.125]
 [0.    0.75  0.875]
 [0.5   0.75  0.625]
 [0.5   0.25  0.375]]
cellpar =  Cell([[4.905711240780222, -1.7173559917001338e-35, 0.0], [-5.2281753927310597e-36, 4.905711240160185, 0.0], [0.0, 0.0, 2.569899798434162]])
forces =  [[-3.02337798e-32  1.05840235e-67 -1.52162859e-09]
 [ 1.51168899e-32 -5.29201173e-68  1.52162859e-09]
 [-1.51168899e-32  5.29201173e-68 -1.52162859e-09]
 [ 2.26753348e-32 -7.93801759e-68  1.52162859e-09]]
stress =  [-1.75022980e-10 -9.88975762e-11 -1.43117063e-10  0.00000000e+00
  0.00000000e+00 -6.40215980e-35]
energy per atom =  -4.484130260180169
===============================================
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.