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:
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 0.25      ]
 [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 13:05:51      -14.045936         2.574937
BFGS:    1 13:05:51      -14.211407         1.932713
BFGS:    2 13:05:51      -14.364529         1.145437
BFGS:    3 13:05:51      -14.443537         0.449111
BFGS:    4 13:05:51      -14.459253         0.043864
BFGS:    5 13:05:51      -14.459413         0.002057
BFGS:    6 13:05:51      -14.459413         0.000009
BFGS:    7 13:05:51      -14.459413         0.000000
Minimization converged after 7 steps.
Maximum force component: 3.2905455700674295e-31 eV/Angstrom
Maximum stress component: 7.024912282895048e-11 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([[3.337009653579455, -3.2916961282013652e-18, 6.55301837551077e-53], [-1.6685048267897276, 2.8899351326737177, 5.942984223548914e-42], [-1.7496922894373587e-47, 6.496873589432703e-38, 7.595199999999998]])
forces =  [[ 1.35207696e-116 -5.02046739e-107 -5.86920053e-069]
 [ 0.00000000e+000  0.00000000e+000  0.00000000e+000]
 [-3.29054557e-031  1.89979737e-031  3.90682326e-073]
 [ 3.29054557e-031 -1.89979737e-031 -3.90682326e-073]]
stress =  [-7.02491228e-11 -7.02491228e-11 -1.02802054e-86  6.00905402e-49
 -1.61831674e-58  3.63633108e-26]
energy per atom =  -3.614853288875187
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0