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 12:06:25      -10.105128         2.736810
BFGS:    1 12:06:25      -10.251590         2.804447
BFGS:    2 12:06:25      -10.422868         2.876260
BFGS:    3 12:06:26      -10.583066         2.927556
BFGS:    4 12:06:26      -10.735960         2.954792
BFGS:    5 12:06:26      -10.883404         2.955196
BFGS:    6 12:06:26      -11.026047         2.926866
BFGS:    7 12:06:26      -11.163829         2.868739
BFGS:    8 12:06:26      -11.296276         2.780330
BFGS:    9 12:06:26      -11.422669         2.660446
BFGS:   10 12:06:26      -11.541975         2.500055
BFGS:   11 12:06:26      -11.652225         2.271375
BFGS:   12 12:06:26      -11.750519         1.970921
BFGS:   13 12:06:26      -11.836290         1.683181
BFGS:   14 12:06:26      -11.912539         1.447545
BFGS:   15 12:06:27      -11.980018         1.325000
BFGS:   16 12:06:27      -12.036845         1.358679
BFGS:   17 12:06:27      -12.082430         1.358518
BFGS:   18 12:06:27      -12.119163         1.286584
BFGS:   19 12:06:27      -12.153943         1.045144
BFGS:   20 12:06:27      -12.190510         0.614191
BFGS:   21 12:06:27      -12.219282         0.265226
BFGS:   22 12:06:27      -12.222185         0.057617
BFGS:   23 12:06:27      -12.222329         0.005510
BFGS:   24 12:06:27      -12.222332         0.000269
BFGS:   25 12:06:27      -12.222332         0.000015
BFGS:   26 12:06:27      -12.222332         0.000000
BFGS:   27 12:06:28      -12.222332         0.000000
Minimization converged after 27 steps.
Maximum force component: 1.5256725009669076e-25 eV/Angstrom
Maximum stress component: 5.900528253436703e-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([[3.2193597882674965, 4.5725641310029055e-18, 4.202065704951425e-36], [-1.6096798941337482, 2.7880473605617433, 7.502201574525945e-36], [7.901427193858424e-36, 2.535142780952728e-35, 5.871969856771692]])
forces =  [[-1.52567250e-25  1.20115559e-25 -6.03146804e-33]
 [ 9.70882501e-26 -2.40231117e-26  6.03146804e-33]
 [ 9.70882501e-26 -7.20693351e-26 -1.21513464e-61]
 [-1.52567250e-25  7.20693351e-26  4.90995619e-62]]
stress =  [-7.00435772e-12 -7.00435772e-12  5.90052825e-11  3.13707754e-34
  1.08671554e-34 -1.51043445e-27]
energy per atom =  -3.0555829314083947
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0