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_ZhouJonesChu_2017_GaInN__SM_887684855692_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 12:05:24      -10.105128         2.736810
BFGS:    1 12:05:24      -10.251590         2.804447
BFGS:    2 12:05:24      -10.422868         2.876260
BFGS:    3 12:05:24      -10.583066         2.927556
BFGS:    4 12:05:24      -10.735960         2.954792
BFGS:    5 12:05:24      -10.883404         2.955196
BFGS:    6 12:05:24      -11.026047         2.926866
BFGS:    7 12:05:24      -11.163829         2.868739
BFGS:    8 12:05:24      -11.296276         2.780330
BFGS:    9 12:05:24      -11.422669         2.660446
BFGS:   10 12:05:24      -11.541975         2.500055
BFGS:   11 12:05:24      -11.652225         2.271375
BFGS:   12 12:05:24      -11.750519         1.970921
BFGS:   13 12:05:24      -11.836290         1.683181
BFGS:   14 12:05:24      -11.912539         1.447545
BFGS:   15 12:05:24      -11.980018         1.325000
BFGS:   16 12:05:25      -12.036845         1.358679
BFGS:   17 12:05:25      -12.082430         1.358518
BFGS:   18 12:05:25      -12.119163         1.286584
BFGS:   19 12:05:25      -12.153943         1.045144
BFGS:   20 12:05:25      -12.190510         0.614191
BFGS:   21 12:05:25      -12.219282         0.265226
BFGS:   22 12:05:25      -12.222185         0.057617
BFGS:   23 12:05:25      -12.222329         0.005510
BFGS:   24 12:05:25      -12.222332         0.000269
BFGS:   25 12:05:25      -12.222332         0.000015
BFGS:   26 12:05:25      -12.222332         0.000000
BFGS:   27 12:05:25      -12.222332         0.000000
Minimization converged after 27 steps.
Maximum force component: 8.321850005276853e-26 eV/Angstrom
Maximum stress component: 5.90008863168605e-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([[3.219359788268584, 2.3766906724134982e-17, 7.91346221445651e-36], [-1.609679894134292, 2.788047360562685, 1.0154227297873405e-35], [2.942177445112206e-35, -3.4213975986286845e-36, 5.871969856772497]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 9.02718381e-27  7.33356290e-27 -1.03665857e-33]
 [ 8.32185001e-26 -4.80462234e-26  2.41258722e-32]
 [-5.62560730e-26  2.66089888e-26 -2.41258722e-32]]
stress =  [-6.59138336e-12 -6.59138336e-12  5.90008863e-11 -5.01932407e-34
 -3.64266613e-45  3.29442743e-28]
energy per atom =  -3.05558293140799
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0