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 09:38:33       -9.712013         8.684881
BFGS:    1 09:38:33      -10.727830         4.434906
BFGS:    2 09:38:33      -11.039537         1.814123
BFGS:    3 09:38:33      -11.118146         0.552414
BFGS:    4 09:38:33      -11.126667         0.207882
BFGS:    5 09:38:33      -11.129090         0.243608
BFGS:    6 09:38:33      -11.131376         0.279676
BFGS:    7 09:38:33      -11.135123         0.315546
BFGS:    8 09:38:33      -11.140753         0.216622
BFGS:    9 09:38:33      -11.141811         0.205854
BFGS:   10 09:38:33      -11.148262         0.165385
BFGS:   11 09:38:33      -11.150169         0.342057
BFGS:   12 09:38:33      -11.152546         0.247150
BFGS:   13 09:38:33      -11.156924         0.158299
BFGS:   14 09:38:33      -11.157371         0.115230
BFGS:   15 09:38:33      -11.157623         0.035081
BFGS:   16 09:38:33      -11.157653         0.008221
BFGS:   17 09:38:33      -11.157658         0.000840
BFGS:   18 09:38:33      -11.157658         0.000233
BFGS:   19 09:38:33      -11.157658         0.000038
BFGS:   20 09:38:33      -11.157658         0.000005
BFGS:   21 09:38:33      -11.157658         0.000001
BFGS:   22 09:38:33      -11.157658         0.000000
BFGS:   23 09:38:33      -11.157658         0.000000
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.