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:
SW_BereSerra_2006_GaN__MO_861114678890_001
==== 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 09:39:22       -0.543214         3.335801
BFGS:    1 09:39:22       -1.005441         4.341815
BFGS:    2 09:39:22       -1.634960         4.744432
BFGS:    3 09:39:22       -2.303080         4.218788
BFGS:    4 09:39:22       -2.756373         2.359566
BFGS:    5 09:39:22       -2.849821         0.991780
BFGS:    6 09:39:22       -2.865548         0.270528
BFGS:    7 09:39:22       -2.866377         0.155654
BFGS:    8 09:39:22       -2.867659         0.172120
BFGS:    9 09:39:22       -2.869394         0.225923
BFGS:   10 09:39:22       -2.870948         0.190536
BFGS:   11 09:39:22       -2.871819         0.119250
BFGS:   12 09:39:22       -2.872350         0.115650
BFGS:   13 09:39:22       -2.872977         0.140602
BFGS:   14 09:39:22       -2.873592         0.117898
BFGS:   15 09:39:22       -2.873866         0.056669
BFGS:   16 09:39:22       -2.873911         0.018411
BFGS:   17 09:39:22       -2.873917         0.011175
BFGS:   18 09:39:22       -2.873922         0.016355
BFGS:   19 09:39:22       -2.873936         0.024686
BFGS:   20 09:39:22       -2.873961         0.030648
BFGS:   21 09:39:22       -2.873993         0.026881
BFGS:   22 09:39:22       -2.874011         0.012501
BFGS:   23 09:39:22       -2.874015         0.002778
BFGS:   24 09:39:22       -2.874015         0.000110
BFGS:   25 09:39:22       -2.874015         0.000052
BFGS:   26 09:39:22       -2.874015         0.000013
BFGS:   27 09:39:22       -2.874015         0.000004
BFGS:   28 09:39:22       -2.874015         0.000000
BFGS:   29 09:39:22       -2.874015         0.000000
BFGS:   30 09:39:22       -2.874015         0.000000
Minimization converged after 30 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1802582536882496e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.729018341880833, 7.388045798810356e-19, -0.01637268252409479], [8.727261705976754e-19, 3.7290542850745014, -4.279331050221707e-18], [-1.8563228297280192, -2.3824490077795846e-18, 1.872695511906489]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.95125034e-11 -8.99350551e-11 -1.18025825e-10  1.17214952e-26
 -1.66675496e-11  1.66055402e-27]
energy per atom =  -1.4370077497166294
===============================================
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.