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:
SW_BereSerra_2006_GaN__MO_861114678890_001
==== 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 09:38:55       -2.508855         3.835525
BFGS:    1 09:38:55       -2.987669         3.930328
BFGS:    2 09:38:55       -3.475548         3.890417
BFGS:    3 09:38:55       -3.947009         3.698175
BFGS:    4 09:38:55       -4.372801         3.356315
BFGS:    5 09:38:55       -4.728160         2.885812
BFGS:    6 09:38:55       -4.999886         2.316149
BFGS:    7 09:38:55       -5.187868         1.675636
BFGS:    8 09:38:55       -5.301783         0.989111
BFGS:    9 09:38:55       -5.357763         0.504634
BFGS:   10 09:38:55       -5.377926         0.618441
BFGS:   11 09:38:55       -5.394462         0.435104
BFGS:   12 09:38:55       -5.399386         0.185809
BFGS:   13 09:38:55       -5.400173         0.094243
BFGS:   14 09:38:55       -5.400809         0.109303
BFGS:   15 09:38:55       -5.402444         0.157424
BFGS:   16 09:38:55       -5.404634         0.181730
BFGS:   17 09:38:55       -5.406667         0.153969
BFGS:   18 09:38:55       -5.407438         0.107912
BFGS:   19 09:38:55       -5.407999         0.136016
BFGS:   20 09:38:55       -5.409601         0.244691
BFGS:   21 09:38:55       -5.412968         0.424984
BFGS:   22 09:38:55       -5.419120         0.628946
BFGS:   23 09:38:55       -5.428451         0.777124
BFGS:   24 09:38:55       -5.439318         0.876423
BFGS:   25 09:38:55       -5.451203         0.954415
BFGS:   26 09:38:55       -5.463909         1.007222
BFGS:   27 09:38:55       -5.477127         1.049253
BFGS:   28 09:38:55       -5.491029         1.045569
BFGS:   29 09:38:55       -5.504822         1.062381
BFGS:   30 09:38:55       -5.519515         1.005090
BFGS:   31 09:38:56       -5.534105         0.955165
BFGS:   32 09:38:56       -5.551548         0.829595
BFGS:   33 09:38:56       -5.571724         0.535310
BFGS:   34 09:38:56       -5.583953         0.087245
BFGS:   35 09:38:56       -5.584709         0.018794
BFGS:   36 09:38:56       -5.584773         0.008010
BFGS:   37 09:38:56       -5.584776         0.004693
BFGS:   38 09:38:56       -5.584777         0.004711
BFGS:   39 09:38:56       -5.584779         0.005691
BFGS:   40 09:38:56       -5.584788         0.012894
BFGS:   41 09:38:56       -5.584806         0.020950
BFGS:   42 09:38:56       -5.584836         0.026111
BFGS:   43 09:38:56       -5.584864         0.019719
BFGS:   44 09:38:56       -5.584876         0.007026
BFGS:   45 09:38:56       -5.584878         0.000862
BFGS:   46 09:38:56       -5.584878         0.000029
BFGS:   47 09:38:56       -5.584878         0.000007
BFGS:   48 09:38:56       -5.584878         0.000000
BFGS:   49 09:38:56       -5.584878         0.000000
Minimization converged after 49 steps.
Maximum force component: 3.307997788995661e-10 eV/Angstrom
Maximum stress component: 1.2221371915057165e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[0.00000000e+00 8.81551770e-01 2.50000000e-01]
 [5.00000000e-01 3.81551770e-01 2.50000000e-01]
 [6.19548596e-16 1.18448230e-01 7.50000000e-01]
 [5.00000000e-01 6.18448230e-01 7.50000000e-01]]
cellpar =  Cell([[2.508705793809472, -1.6025185892152087e-20, -0.025099272877024903], [3.9750089061210405e-19, 8.325541474742076, 2.820550561396935e-17], [-2.4827781795550736, 4.774182170527134e-18, 2.6165990596100843]])
forces =  [[-1.58863995e-29 -3.30799779e-10 -1.12066001e-27]
 [-1.58251943e-29 -3.30799779e-10 -1.12072451e-27]
 [ 1.58098930e-29  3.30799779e-10  1.12074064e-27]
 [ 1.58863995e-29  3.30799779e-10  1.12066001e-27]]
stress =  [ 1.46856384e-11  8.49733248e-11  1.22213719e-10  6.02458447e-27
 -1.16121392e-11 -5.39448187e-28]
energy per atom =  -1.3962194021372323
===============================================
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.