element(s):
['Ga']
AFLOW prototype label:
A_cI12_220_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.0491']
model name:
Sim_LAMMPS_Polymorphic_ZhouJonesChu_2017_GaInN__SM_887684855692_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.375 0.    0.25 ]]
spacegroup =  220
cell =  [[6.0491, 0, 0], [0, 6.0491, 0], [0, 0, 6.0491]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:32:18      -32.114448        0.9812
BFGS:    1 17:32:18      -32.155058        0.9504
BFGS:    2 17:32:18      -32.289335        0.8398
BFGS:    3 17:32:18      -32.406946        0.7282
BFGS:    4 17:32:18      -32.507730        0.6155
BFGS:    5 17:32:18      -32.591524        0.5019
BFGS:    6 17:32:18      -32.658249        0.3876
BFGS:    7 17:32:19      -32.707793        0.2729
BFGS:    8 17:32:19      -32.740114        0.1580
BFGS:    9 17:32:19      -32.755209        0.0433
BFGS:   10 17:32:19      -32.756438        0.0001
BFGS:   11 17:32:19      -32.756438        0.0000
BFGS:   12 17:32:19      -32.756438        0.0000
Minimization converged after 12 steps.
Maximum force component: 3.6050444365002532e-31 eV/Angstrom
Maximum stress component: 1.0373297891640162e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga', 'Ga']
basis =  [[3.75000000e-01 0.00000000e+00 2.50000000e-01]
 [1.25000000e-01 0.00000000e+00 7.50000000e-01]
 [6.25000000e-01 5.00000000e-01 2.50000000e-01]
 [8.75000000e-01 5.00000000e-01 7.50000000e-01]
 [2.50000000e-01 3.75000000e-01 1.16772533e-33]
 [7.50000000e-01 1.25000000e-01 2.28935624e-33]
 [2.50000000e-01 6.25000000e-01 5.00000000e-01]
 [7.50000000e-01 8.75000000e-01 5.00000000e-01]
 [1.00000000e+00 2.50000000e-01 3.75000000e-01]
 [1.00000000e+00 7.50000000e-01 1.25000000e-01]
 [5.00000000e-01 2.50000000e-01 6.25000000e-01]
 [5.00000000e-01 7.50000000e-01 8.75000000e-01]]
cellpar =  Cell([[6.267341820039751, 3.8948786498578416e-32, 4.556229469360355e-33], [1.290568546839371e-32, 6.267341820039751, -4.804713313929906e-18], [2.8784227497284603e-33, -4.8047133139299045e-18, 6.267341820039751]])
forces =  [[ 2.57503174e-32  1.41626746e-31 -2.57503174e-32]
 [-1.28751587e-31 -7.72509522e-32  7.72509522e-32]
 [-1.09438849e-31 -1.28751587e-31 -1.12657639e-31]
 [ 5.15006348e-32 -1.03001270e-31 -5.15006348e-32]
 [-3.09003809e-31 -1.22314008e-31 -3.86254761e-32]
 [ 1.03001270e-31 -8.36885316e-32  1.93127381e-32]
 [-5.15006348e-32  2.06002539e-31 -1.41626746e-31]
 [-1.41626746e-31  1.03001270e-31  3.60504444e-31]
 [ 5.15006348e-32  1.03001270e-31  1.54501904e-31]
 [-3.37584983e-65 -3.21878968e-32  7.08133729e-32]
 [-1.28751587e-31 -5.15006348e-32 -3.86254761e-32]
 [ 1.54501904e-31 -5.15006348e-32  8.36885316e-32]]
stress =  [-1.03732979e-14 -1.03732979e-14 -1.03732979e-14 -2.39831050e-31
 -1.56900273e-34  8.21561701e-52]
energy per atom =  -2.7297031677479953
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0