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:
MEAM_LAMMPS_KimShinLee_2008_Ge__MO_657096500078_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 09:46:00      -13.818134         2.139000
BFGS:    1 09:46:00      -13.931381         1.794471
BFGS:    2 09:46:00      -14.012419         1.384258
BFGS:    3 09:46:00      -14.068705         0.936619
BFGS:    4 09:46:00      -14.106328         0.416801
BFGS:    5 09:46:00      -14.122256         0.248418
BFGS:    6 09:46:00      -14.126103         0.156355
BFGS:    7 09:46:01      -14.129303         0.083828
BFGS:    8 09:46:01      -14.129580         0.065720
BFGS:    9 09:46:01      -14.130144         0.024791
BFGS:   10 09:46:01      -14.130192         0.007625
BFGS:   11 09:46:01      -14.130196         0.001050
BFGS:   12 09:46:01      -14.130196         0.000598
BFGS:   13 09:46:01      -14.130196         0.000502
BFGS:   14 09:46:01      -14.130196         0.000459
BFGS:   15 09:46:01      -14.130196         0.000252
BFGS:   16 09:46:01      -14.130196         0.000058
BFGS:   17 09:46:01      -14.130196         0.000012
BFGS:   18 09:46:01      -14.130196         0.000001
BFGS:   19 09:46:01      -14.130196         0.000000
BFGS:   20 09:46:01      -14.130196         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.988219189980045e-10 eV/Angstrom
Maximum stress component: 3.713157775354212e-11 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([[5.258889898517362, -3.1139260527615616e-36, 0.0], [-1.2126740429462258e-36, 5.258889898534481, 0.0], [0.0, 0.0, 2.6945776455919597]])
forces =  [[ 8.10260282e-33 -4.79776274e-69 -1.98821919e-10]
 [-7.59619015e-33  4.49790257e-69  1.98821919e-10]
 [ 7.72279332e-33 -4.57286762e-69 -1.98821919e-10]
 [-8.10260282e-33  4.79776274e-69  1.98821919e-10]]
stress =  [ 3.33265938e-11  3.71315778e-11 -1.41561830e-12  0.00000000e+00
  0.00000000e+00 -8.77410506e-49]
energy per atom =  -3.5325491019576187
===============================================
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.