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:
Sim_LAMMPS_Polymorphic_NordAlbeErhart_2003_GaN__SM_333071728528_000
==== 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 15:42:59      -18.098996        0.3308
BFGS:    1 15:42:59      -18.103273        0.2538
BFGS:    2 15:42:59      -18.109765        0.1454
BFGS:    3 15:42:59      -18.111388        0.0965
BFGS:    4 15:42:59      -18.111919        0.0273
BFGS:    5 15:42:59      -18.111933        0.0180
BFGS:    6 15:42:59      -18.111944        0.0109
BFGS:    7 15:42:59      -18.111961        0.0131
BFGS:    8 15:42:59      -18.111976        0.0102
BFGS:    9 15:42:59      -18.111981        0.0035
BFGS:   10 15:42:59      -18.111982        0.0006
BFGS:   11 15:42:59      -18.111982        0.0000
BFGS:   12 15:42:59      -18.111982        0.0000
BFGS:   13 15:42:59      -18.111982        0.0000
BFGS:   14 15:42:59      -18.111982        0.0000
Minimization converged after 14 steps.
Maximum force component: 5.781402023785632e-10 eV/Angstrom
Maximum stress component: 7.265828710215538e-11 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([[3.1809064057056946, -4.0536298849224284e-18, 1.6953650667479299e-37], [-1.5904532028528473, 2.754745754401781, -9.576894153559316e-38], [-1.1158346865150416e-37, 4.257700907693574e-37, 5.194398408876927]])
forces =  [[ 1.05086522e-30 -3.71411133e-31 -5.78140202e-10]
 [-1.56830794e-30  9.05463012e-31 -5.78140202e-10]
 [ 1.04553863e-31  1.81092602e-31  5.78113557e-10]
 [-1.24187463e-47  4.73863270e-47  5.78113557e-10]]
stress =  [ 6.01486441e-12  6.01486441e-12 -7.26582871e-11 -1.37823623e-32
  7.95725060e-33 -2.68992825e-28]
energy per atom =  -4.527995458399687
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0