element(s):
['Ga', 'N']
AFLOW prototype label:
AB_hP4_194_c_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1989', '2.3743162']
model name:
Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga', 'N']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.         0.         0.25      ]]
spacegroup =  194
cell =  [[3.1989, 0, 0], [-1.59945, 2.770328664166, 0], [0, 0, 7.5952]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:05:24      -14.045936         2.574911
BFGS:    1 12:05:24      -14.211405         1.932737
BFGS:    2 12:05:24      -14.364529         1.145555
BFGS:    3 12:05:24      -14.443536         0.448989
BFGS:    4 12:05:24      -14.459251         0.044148
BFGS:    5 12:05:24      -14.459413         0.001980
BFGS:    6 12:05:24      -14.459413         0.000009
BFGS:    7 12:05:24      -14.459413         0.000000
Minimization converged after 7 steps.
Maximum force component: 9.871630102401627e-31 eV/Angstrom
Maximum stress component: 1.1370016645293569e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'N', 'N']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [9.99999997e-01 3.33333346e-09 2.50000000e-01]
 [9.99999997e-01 3.33333346e-09 7.50000000e-01]]
cellpar =  Cell([[3.3370074198774615, -1.8570514639568046e-17, -2.343372052223107e-37], [-1.6685037099387308, 2.8899331982310468, -4.297906416967799e-37], [-4.8947206840026417e-36, -1.4373913601084766e-35, 7.595199999999998]])
forces =  [[ 9.87163010e-31 -1.89979610e-31 -3.33660671e-68]
 [-6.85529868e-32  1.18737256e-31 -3.02268927e-66]
 [ 6.58108673e-31 -3.79959220e-31  2.56975958e-68]
 [-6.03266284e-31  2.84969415e-31  5.99849063e-66]]
stress =  [-1.13700166e-10 -1.13700166e-10 -2.23121656e-52 -2.15177529e-46
 -7.32739831e-47  3.59536198e-26]
energy per atom =  -3.6148533375330816
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0