element(s):
['Ga']
AFLOW prototype label:
A_mC2_12_a
Parameter names:
['a', 'b/a', 'c/a', 'beta']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0582', '1.0145385', '0.73249224', '132.5951']
model name:
Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0 0 0]]
spacegroup =  12
cell =  [[4.0582, 0, 0], [0, 4.1172, 0], [-2.0118943694303, 0, 2.188294268661]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:19:23       -1.758842       18.6559
BFGS:    1 16:19:23       -3.671099       16.6456
BFGS:    2 16:19:23       -5.040559        8.2148
BFGS:    3 16:19:23       -5.336073        1.3516
BFGS:    4 16:19:23       -5.344262        0.6921
BFGS:    5 16:19:23       -5.385196        2.2317
BFGS:    6 16:19:23       -5.428336        2.9938
BFGS:    7 16:19:23       -5.463920        3.1015
BFGS:    8 16:19:23       -5.493919        3.0827
BFGS:    9 16:19:23       -5.512886        2.9324
BFGS:   10 16:19:23       -5.525061        2.7359
BFGS:   11 16:19:23       -5.582140        1.6457
BFGS:   12 16:19:23       -5.601372        1.2176
BFGS:   13 16:19:23       -5.607775        1.1264
BFGS:   14 16:19:23       -5.614533        1.0186
BFGS:   15 16:19:23       -5.624068        0.8504
BFGS:   16 16:19:23       -5.627502        1.0446
BFGS:   17 16:19:23       -5.640076        0.6931
BFGS:   18 16:19:23       -5.643456        0.5713
BFGS:   19 16:19:23       -5.652831        0.4667
BFGS:   20 16:19:23       -5.674844        0.2484
BFGS:   21 16:19:23       -5.678979        0.5854
BFGS:   22 16:19:23       -5.681327        0.1795
BFGS:   23 16:19:23       -5.682245        0.1298
BFGS:   24 16:19:23       -5.680787        0.4184
BFGS:   25 16:19:23       -5.682678        0.0915
BFGS:   26 16:19:23       -5.682771        0.0020
BFGS:   27 16:19:23       -5.682771        0.0015
BFGS:   28 16:19:23       -5.682771        0.0006
BFGS:   29 16:19:23       -5.682771        0.0001
BFGS:   30 16:19:23       -5.682771        0.0000
BFGS:   31 16:19:23       -5.682771        0.0000
BFGS:   32 16:19:23       -5.682771        0.0000
BFGS:   33 16:19:23       -5.682771        0.0000
Minimization converged after 33 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.62813630144965e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 1.56057132e-18]]
cellpar =  Cell([[3.1439436207929603, 6.563220869651927e-18, 0.019600413662828015], [5.909727474855117e-18, 4.4462941126348365, -1.893486638643711e-19], [-1.585831395826344, -1.947994428442946e-18, 2.2133036471784364]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.43138432e-11  8.62813630e-11 -3.97486939e-11  9.69844151e-29
 -2.06273627e-11  1.81337020e-28]
energy per atom =  -2.8413856303558056
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_mC2_12_a, while relaxed is A_cI2_229_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.