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_AlbeNordlundNord_2002_GaAs__MO_799020228312_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 16:19:24       -4.200097       14.1224
BFGS:    1 16:19:24       -5.378504        3.2053
BFGS:    2 16:19:24       -5.429961        0.2908
BFGS:    3 16:19:24       -5.431533        0.2717
BFGS:    4 16:19:24       -5.437502        0.7213
BFGS:    5 16:19:24       -5.455192        1.4685
BFGS:    6 16:19:24       -5.459946        1.5375
BFGS:    7 16:19:24       -5.466065        1.5730
BFGS:    8 16:19:24       -5.493592        1.1520
BFGS:    9 16:19:24       -5.533575        1.0523
BFGS:   10 16:19:24       -5.578773        0.8939
BFGS:   11 16:19:24       -5.619673        0.7441
BFGS:   12 16:19:24       -5.652440        0.5573
BFGS:   13 16:19:24       -5.669480        0.3129
BFGS:   14 16:19:24       -5.675294        0.2936
BFGS:   15 16:19:24       -5.681941        0.2148
BFGS:   16 16:19:24       -5.682789        0.1832
BFGS:   17 16:19:24       -5.683652        0.1248
BFGS:   18 16:19:24       -5.683726        0.1213
BFGS:   19 16:19:24       -5.684080        0.1105
BFGS:   20 16:19:24       -5.684616        0.0903
BFGS:   21 16:19:24       -5.685501        0.0522
BFGS:   22 16:19:24       -5.686147        0.0401
BFGS:   23 16:19:24       -5.686368        0.0249
BFGS:   24 16:19:24       -5.686406        0.0221
BFGS:   25 16:19:24       -5.686419        0.0188
BFGS:   26 16:19:24       -5.686437        0.0120
BFGS:   27 16:19:24       -5.686450        0.0070
BFGS:   28 16:19:24       -5.686454        0.0021
BFGS:   29 16:19:24       -5.686454        0.0003
BFGS:   30 16:19:24       -5.686454        0.0000
BFGS:   31 16:19:24       -5.686454        0.0000
BFGS:   32 16:19:24       -5.686454        0.0000
BFGS:   33 16:19:24       -5.686454        0.0000
Minimization converged after 33 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.315225905650673e-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 1.83839865e-18]]
cellpar =  Cell([[3.1693381748186713, -1.1447679829434524e-18, -0.003705489614094245], [-1.065550777417342e-18, 4.482124092868982, -1.5135961839882114e-17], [-1.582048910390547, -7.392495880102728e-18, 2.2429132598286965]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.48999587e-11 -6.31522591e-11  4.01576468e-11  1.61553214e-29
  3.18868632e-11  3.16576015e-29]
energy per atom =  -2.843227236077312
===============================================
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.