element(s):
['Ga']
AFLOW prototype label:
A_mC4_15_e
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7913', '2.9000466', '1.53656', '129.558', '0.88421875']
model name:
Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.         0.88421875 0.25      ]]
spacegroup =  15
cell =  [[2.7913, 0, 0], [0, 8.0949, 0], [-2.7314882631561, 0, 3.306734471989]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:21:56       -9.712013        8.6849
BFGS:    1 16:21:56      -10.727830        4.4349
BFGS:    2 16:21:56      -11.039537        1.8141
BFGS:    3 16:21:56      -11.118146        0.5524
BFGS:    4 16:21:56      -11.126667        0.2079
BFGS:    5 16:21:56      -11.129090        0.2436
BFGS:    6 16:21:56      -11.131376        0.2797
BFGS:    7 16:21:56      -11.135123        0.3155
BFGS:    8 16:21:56      -11.140753        0.2166
BFGS:    9 16:21:56      -11.141811        0.2059
BFGS:   10 16:21:56      -11.148262        0.1654
BFGS:   11 16:21:56      -11.150169        0.3421
BFGS:   12 16:21:56      -11.152546        0.2471
BFGS:   13 16:21:56      -11.156924        0.1583
BFGS:   14 16:21:56      -11.157371        0.1152
BFGS:   15 16:21:56      -11.157623        0.0351
BFGS:   16 16:21:56      -11.157653        0.0082
BFGS:   17 16:21:56      -11.157658        0.0008
BFGS:   18 16:21:56      -11.157658        0.0002
BFGS:   19 16:21:56      -11.157658        0.0000
BFGS:   20 16:21:56      -11.157658        0.0000
BFGS:   21 16:21:56      -11.157658        0.0000
BFGS:   22 16:21:56      -11.157658        0.0000
BFGS:   23 16:21:56      -11.157658        0.0000
Minimization converged after 23 steps.
Maximum force component: 2.168098801619972e-09 eV/Angstrom
Maximum stress component: 2.6182707242887705e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[4.07412857e-17 8.91077052e-01 2.50000000e-01]
 [5.00000000e-01 3.91077052e-01 2.50000000e-01]
 [1.00000000e+00 1.08922948e-01 7.50000000e-01]
 [5.00000000e-01 6.08922948e-01 7.50000000e-01]]
cellpar =  Cell([[2.7240958795628933, -6.503677214709045e-21, -0.0228908362914782], [4.391763874816116e-20, 7.521384180464596, 3.517644518550846e-18], [-2.695484771400168, 1.4804469919554266e-18, 3.4277206114307734]])
forces =  [[-1.26596086e-29 -2.16809880e-09 -1.01398901e-27]
 [-1.26596086e-29 -2.16809880e-09 -1.01398901e-27]
 [ 1.26596086e-29  2.16809880e-09  1.01398901e-27]
 [ 1.26596086e-29  2.16809880e-09  1.01398901e-27]]
stress =  [-8.75314502e-11 -2.61827072e-10 -2.11530177e-10 -4.83672007e-30
  9.27935287e-11 -7.60324613e-30]
energy per atom =  -2.789414613343264
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_mC4_15_e, while relaxed is A_oC4_63_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.