element(s):
['Ga', 'N']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.205', '1.6289236', '0.00016799968', '0.376832']
model name:
SW_BereSerra_2006_GaN__MO_861114678890_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga', 'N']
representative atom coordinates =  [[0.33333333 0.66666667 0.500168  ]
 [0.33333333 0.66666667 0.876832  ]]
spacegroup =  186
cell =  [[3.205, 0, 0], [-1.6025, 2.7756114191291, 0], [0, 0, 5.2207]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:43:17      -17.358451        0.2157
BFGS:    1 15:43:17      -17.360871        0.1503
BFGS:    2 15:43:17      -17.362010        0.1254
BFGS:    3 15:43:17      -17.363227        0.0716
BFGS:    4 15:43:17      -17.363514        0.0308
BFGS:    5 15:43:17      -17.363550        0.0208
BFGS:    6 15:43:17      -17.363558        0.0156
BFGS:    7 15:43:17      -17.363576        0.0141
BFGS:    8 15:43:17      -17.363591        0.0136
BFGS:    9 15:43:17      -17.363599        0.0059
BFGS:   10 15:43:17      -17.363600        0.0010
BFGS:   11 15:43:17      -17.363600        0.0001
BFGS:   12 15:43:17      -17.363600        0.0000
BFGS:   13 15:43:17      -17.363600        0.0000
BFGS:   14 15:43:17      -17.363600        0.0000
Minimization converged after 14 steps.
Maximum force component: 2.9005830386760836e-09 eV/Angstrom
Maximum stress component: 2.288233864172916e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'N', 'N']
basis =  [[0.33333333 0.66666667 0.501     ]
 [0.66666666 0.33333334 0.001     ]
 [0.33333333 0.66666667 0.876     ]
 [0.66666666 0.33333334 0.376     ]]
cellpar =  Cell([[3.1905970976239333, -1.3897876490468175e-18, -1.79328624367809e-39], [-1.5952985488119666, 2.7631381397832233, -5.079235100532083e-39], [5.844997463801618e-37, 4.196093704216277e-37, 5.210223242301219]])
forces =  [[ 1.46821343e-30 -1.08986583e-30 -2.90058304e-09]
 [-1.46821343e-30  1.08986583e-30 -2.90058304e-09]
 [ 2.51693731e-30 -1.45315444e-30  2.90058304e-09]
 [-2.51693731e-30  1.45315444e-30  2.90058304e-09]]
stress =  [ 2.35862749e-11  2.35862749e-11 -2.28823386e-10  2.85391002e-34
 -4.94311715e-34  1.37804239e-26]
energy per atom =  -4.340900088834676
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0