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_AlbeNordlundNord_2002_GaAs__MO_799020228312_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      -10.877439        2.5204
BFGS:    1 16:21:56      -11.126720        0.5319
BFGS:    2 16:21:56      -11.134455        0.3716
BFGS:    3 16:21:56      -11.139127        0.3042
BFGS:    4 16:21:56      -11.147611        0.2131
BFGS:    5 16:21:56      -11.153023        0.1732
BFGS:    6 16:21:56      -11.154365        0.1789
BFGS:    7 16:21:56      -11.162122        0.1907
BFGS:    8 16:21:56      -11.164003        0.1741
BFGS:    9 16:21:56      -11.165104        0.1520
BFGS:   10 16:21:56      -11.166607        0.1216
BFGS:   11 16:21:56      -11.169423        0.1034
BFGS:   12 16:21:56      -11.172704        0.0955
BFGS:   13 16:21:56      -11.174793        0.0856
BFGS:   14 16:21:56      -11.175384        0.0628
BFGS:   15 16:21:56      -11.175492        0.0508
BFGS:   16 16:21:56      -11.175588        0.0401
BFGS:   17 16:21:56      -11.175782        0.0247
BFGS:   18 16:21:56      -11.175996        0.0213
BFGS:   19 16:21:56      -11.176122        0.0162
BFGS:   20 16:21:56      -11.176151        0.0129
BFGS:   21 16:21:57      -11.176157        0.0107
BFGS:   22 16:21:57      -11.176165        0.0091
BFGS:   23 16:21:57      -11.176182        0.0085
BFGS:   24 16:21:57      -11.176205        0.0072
BFGS:   25 16:21:57      -11.176225        0.0055
BFGS:   26 16:21:57      -11.176231        0.0020
BFGS:   27 16:21:57      -11.176232        0.0003
BFGS:   28 16:21:57      -11.176232        0.0000
BFGS:   29 16:21:57      -11.176232        0.0000
BFGS:   30 16:21:57      -11.176232        0.0000
BFGS:   31 16:21:57      -11.176232        0.0000
Minimization converged after 31 steps.
Maximum force component: 3.017773541474922e-09 eV/Angstrom
Maximum stress component: 2.1106802966771352e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[1.         0.88941843 0.25      ]
 [0.5        0.38941843 0.25      ]
 [1.         0.11058157 0.75      ]
 [0.5        0.61058157 0.75      ]]
cellpar =  Cell([[2.7497851182507977, -1.1807605247554938e-19, -0.02330593336888222], [-3.074257856193191e-19, 7.581770421202533, 1.4168529588196692e-17], [-2.720515989962117, 6.261799052491004e-18, 3.476667563730182]])
forces =  [[-1.22364745e-28  3.01777354e-09  5.63950256e-27]
 [-1.22364745e-28  3.01777354e-09  5.63950256e-27]
 [ 1.22452994e-28 -3.01777354e-09 -5.63958845e-27]
 [ 1.22431811e-28 -3.01777354e-09 -5.63958827e-27]]
stress =  [-1.39538101e-11 -2.11068030e-10 -2.02953794e-11  4.68864381e-26
 -4.15261796e-11  4.64991445e-29]
energy per atom =  -2.794057925753604
===============================================
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.