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 15:50:07      -10.105128        2.7368
BFGS:    1 15:50:07      -10.251590        2.8044
BFGS:    2 15:50:07      -10.422868        2.8763
BFGS:    3 15:50:07      -10.583066        2.9276
BFGS:    4 15:50:08      -10.735960        2.9548
BFGS:    5 15:50:08      -10.883404        2.9552
BFGS:    6 15:50:08      -11.026047        2.9269
BFGS:    7 15:50:08      -11.163829        2.8687
BFGS:    8 15:50:08      -11.296276        2.7803
BFGS:    9 15:50:08      -11.422669        2.6604
BFGS:   10 15:50:08      -11.541975        2.5001
BFGS:   11 15:50:08      -11.652225        2.2714
BFGS:   12 15:50:08      -11.750519        1.9709
BFGS:   13 15:50:08      -11.836290        1.6832
BFGS:   14 15:50:08      -11.912539        1.4475
BFGS:   15 15:50:08      -11.980018        1.3250
BFGS:   16 15:50:08      -12.036845        1.3587
BFGS:   17 15:50:08      -12.082430        1.3585
BFGS:   18 15:50:08      -12.119163        1.2866
BFGS:   19 15:50:08      -12.153943        1.0451
BFGS:   20 15:50:08      -12.190510        0.6142
BFGS:   21 15:50:08      -12.219282        0.2652
BFGS:   22 15:50:08      -12.222185        0.0576
BFGS:   23 15:50:08      -12.222329        0.0055
BFGS:   24 15:50:08      -12.222332        0.0003
BFGS:   25 15:50:08      -12.222332        0.0000
BFGS:   26 15:50:08      -12.222332        0.0000
BFGS:   27 15:50:08      -12.222332        0.0000
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