element(s):
['Ga', 'N']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5262']
model name:
Sim_LAMMPS_Polymorphic_NordAlbeErhart_2003_GaN__SM_333071728528_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga', 'N']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.5262, 0, 0], [0, 4.5262, 0], [0, 0, 4.5262]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:15:24      -36.204197        0.2659
BFGS:    1 14:15:24      -36.207114        0.2460
BFGS:    2 14:15:24      -36.223940        0.0095
BFGS:    3 14:15:25      -36.223964        0.0003
BFGS:    4 14:15:25      -36.223964        0.0000
BFGS:    5 14:15:25      -36.223964        0.0000
Minimization converged after 5 steps.
Maximum force component: 2.957229814715368e-30 eV/Angstrom
Maximum stress component: 5.5485777218956906e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'N', 'N', 'N', 'N']
basis =  [[6.77681390e-39 1.10235479e-42 1.10235479e-42]
 [1.08381953e-37 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.498480979564102, 8.909164966910966e-37, -2.4796577510982167e-37], [-8.779852607425585e-37, 4.498480979564102, 1.9551314006021965e-26], [-1.5825706724498208e-38, 1.955131400602379e-26, 4.498480979564102]])
forces =  [[-2.94418825e-71  3.63729405e-59  8.36889945e-33]
 [-4.33372712e-53 -3.21318068e-58 -7.39307454e-32]
 [-1.36068075e-71  1.68100528e-59  3.86775553e-33]
 [-4.16286047e-70  3.46550369e-33 -7.39307454e-32]
 [-5.17515218e-31 -8.13238199e-31  2.36578385e-30]
 [-2.58757609e-31 -4.25101786e-31  1.11358185e-30]
 [ 2.40274922e-31 -1.77433789e-30 -2.95722981e-30]
 [ 2.95722981e-31  1.66344177e-31 -2.95722981e-31]]
stress =  [-5.54857772e-12 -5.54857772e-12 -5.54857772e-12  1.36904626e-28
 -1.49862075e-65 -1.60212071e-64]
energy per atom =  -4.527995458399685
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0