element(s):
['N']
AFLOW prototype label:
A_cI20_217_ce
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.878', '0.63332537', '0.28144238']
model name:
Sim_LAMMPS_Polymorphic_BereSerra_2006_GaN__SM_518345582208_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'N']
representative atom coordinates =  [[0.13332537 0.13332537 0.13332537]
 [0.28144238 0.         0.        ]]
spacegroup =  217
cell =  [[5.878, 0, 0], [0, 5.878, 0], [0, 0, 5.878]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:43:51      -26.789246         2.252432
BFGS:    1 16:43:51      -27.803949         1.617934
BFGS:    2 16:43:51      -28.623337         0.723707
BFGS:    3 16:43:52      -28.781174         0.212154
BFGS:    4 16:43:52      -28.789432         0.123915
BFGS:    5 16:43:53      -28.797412         0.121104
BFGS:    6 16:43:54      -28.803555         0.067580
BFGS:    7 16:43:54      -28.805323         0.018852
BFGS:    8 16:43:55      -28.805499         0.003582
BFGS:    9 16:43:56      -28.805504         0.000192
BFGS:   10 16:43:56      -28.805504         0.000010
BFGS:   11 16:43:57      -28.805504         0.000000
BFGS:   12 16:43:57      -28.805504         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.2379562298910327e-09 eV/Angstrom
Maximum stress component: 5.7078350910418953e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[1.46840223e-01 1.46840223e-01 1.46840223e-01]
 [8.53159777e-01 8.53159777e-01 1.46840223e-01]
 [8.53159777e-01 1.46840223e-01 8.53159777e-01]
 [1.46840223e-01 8.53159777e-01 8.53159777e-01]
 [6.46840223e-01 6.46840223e-01 6.46840223e-01]
 [3.53159777e-01 3.53159777e-01 6.46840223e-01]
 [3.53159777e-01 6.46840223e-01 3.53159777e-01]
 [6.46840223e-01 3.53159777e-01 3.53159777e-01]
 [2.93680447e-01 5.13596412e-34 0.00000000e+00]
 [7.06319553e-01 1.54099530e-33 0.00000000e+00]
 [0.00000000e+00 2.93680447e-01 5.10688828e-34]
 [0.00000000e+00 7.06319553e-01 1.54432302e-33]
 [5.13580750e-34 0.00000000e+00 2.93680447e-01]
 [1.54086992e-33 0.00000000e+00 7.06319553e-01]
 [7.93680447e-01 5.00000000e-01 5.00000000e-01]
 [2.06319553e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.93680447e-01 5.00000000e-01]
 [5.00000000e-01 2.06319553e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.93680447e-01]
 [5.00000000e-01 5.00000000e-01 2.06319553e-01]]
cellpar =  Cell([[5.892561911847543, 7.140859292460352e-33, -6.613022398668343e-36], [-3.917934287185089e-34, 5.892561911847543, 1.5807235159537134e-19], [-9.942815822541405e-35, 1.5807235159537149e-19, 5.892561911847543]])
forces =  [[ 1.23795623e-09  1.23795623e-09  1.23795623e-09]
 [-1.23795623e-09 -1.23795623e-09  1.23795623e-09]
 [-1.23795623e-09  1.23795623e-09 -1.23795623e-09]
 [ 1.23795623e-09 -1.23795623e-09 -1.23795623e-09]
 [ 1.23795623e-09  1.23795623e-09  1.23795623e-09]
 [-1.23795623e-09 -1.23795623e-09  1.23795623e-09]
 [-1.23795623e-09  1.23795623e-09 -1.23795623e-09]
 [ 1.23795623e-09 -1.23795623e-09 -1.23795623e-09]
 [ 4.49158958e-10  2.42104777e-32 -5.04075217e-46]
 [-4.49158958e-10 -3.82071602e-32  1.39966824e-32]
 [-2.98643495e-44  4.49158958e-10  1.20732333e-29]
 [ 1.21052389e-32 -4.49158958e-10 -1.20702070e-29]
 [ 2.42104777e-32  1.20490228e-29  4.49158958e-10]
 [-5.74998846e-32 -1.20410787e-29 -4.49158958e-10]
 [ 4.49158958e-10  2.72367874e-32 -7.56577429e-34]
 [-4.49158958e-10 -4.84209555e-32  2.42104777e-32]
 [-2.98643495e-44  4.49158958e-10  1.20732333e-29]
 [ 1.43749712e-32 -4.49158958e-10 -1.20845819e-29]
 [ 2.34539003e-32  1.20505359e-29  4.49158958e-10]
 [-4.84209555e-32 -1.20248123e-29 -4.49158958e-10]]
stress =  [-5.70783509e-11 -5.70783509e-11 -5.70783509e-11  8.20645282e-29
  7.09973513e-34 -5.59513476e-52]
energy per atom =  -1.440275194480633
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0