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:
Sim_LAMMPS_Polymorphic_BereSerra_2006_GaN__SM_518345582208_000
==== 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 16:19:22       -0.543214        3.3358
BFGS:    1 16:19:22       -1.005441        4.3418
BFGS:    2 16:19:23       -1.634960        4.7444
BFGS:    3 16:19:23       -2.303081        4.2188
BFGS:    4 16:19:23       -2.756374        2.3596
BFGS:    5 16:19:23       -2.849821        0.9918
BFGS:    6 16:19:23       -2.865548        0.2705
BFGS:    7 16:19:23       -2.866377        0.1557
BFGS:    8 16:19:23       -2.867659        0.1721
BFGS:    9 16:19:23       -2.869394        0.2259
BFGS:   10 16:19:23       -2.870948        0.1905
BFGS:   11 16:19:23       -2.871819        0.1192
BFGS:   12 16:19:23       -2.872350        0.1156
BFGS:   13 16:19:23       -2.872977        0.1406
BFGS:   14 16:19:23       -2.873592        0.1179
BFGS:   15 16:19:23       -2.873866        0.0567
BFGS:   16 16:19:23       -2.873911        0.0184
BFGS:   17 16:19:23       -2.873917        0.0112
BFGS:   18 16:19:23       -2.873922        0.0164
BFGS:   19 16:19:23       -2.873936        0.0247
BFGS:   20 16:19:23       -2.873961        0.0306
BFGS:   21 16:19:23       -2.873993        0.0269
BFGS:   22 16:19:23       -2.874011        0.0125
BFGS:   23 16:19:23       -2.874015        0.0028
BFGS:   24 16:19:23       -2.874015        0.0001
BFGS:   25 16:19:23       -2.874015        0.0001
BFGS:   26 16:19:23       -2.874015        0.0000
BFGS:   27 16:19:23       -2.874015        0.0000
BFGS:   28 16:19:23       -2.874015        0.0000
BFGS:   29 16:19:23       -2.874015        0.0000
BFGS:   30 16:19:23       -2.874015        0.0000
Minimization converged after 30 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1905422131786674e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 4.6518672e-18]]
cellpar =  Cell([[3.7290179976880564, -2.550764208679222e-19, -0.016372679678202936], [-1.9928187000853032e-19, 3.729054355158407, -8.237244916461759e-18], [-1.8563226572129228, -4.606230641144721e-18, 1.872695752833662]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.00595513e-10 -9.62542894e-11 -1.19054221e-10 -2.13701170e-26
 -9.13068232e-12 -7.06800879e-31]
energy per atom =  -1.4370077499177272
===============================================
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_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.