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 15:30:40      -32.114448         0.981151
BFGS:    1 15:30:40      -32.155058         0.950364
BFGS:    2 15:30:41      -32.289335         0.839809
BFGS:    3 15:30:41      -32.406946         0.728155
BFGS:    4 15:30:41      -32.507730         0.615465
BFGS:    5 15:30:41      -32.591524         0.501927
BFGS:    6 15:30:41      -32.658249         0.387637
BFGS:    7 15:30:41      -32.707793         0.272909
BFGS:    8 15:30:41      -32.740114         0.158026
BFGS:    9 15:30:41      -32.755209         0.043305
BFGS:   10 15:30:41      -32.756438         0.000115
BFGS:   11 15:30:41      -32.756438         0.000000
BFGS:   12 15:30:41      -32.756438         0.000000
Minimization converged after 12 steps.
Maximum force component: 2.0600253922858593e-31 eV/Angstrom
Maximum stress component: 1.0171837733838625e-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 2.45836911e-33 2.50000000e-01]
 [1.25000000e-01 4.91673823e-34 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 0.00000000e+00]
 [7.50000000e-01 1.25000000e-01 1.35210301e-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([[6.267341820039752, 1.6535136570074908e-32, 4.292827227081437e-33], [-1.3486360828078993e-32, 6.267341820039752, 3.068616301075035e-17], [-1.0406215489291934e-32, 3.068616301075035e-17, 6.267341820039752]])
forces =  [[-7.08133729e-32  1.28751587e-32 -5.15006348e-32]
 [ 5.15006348e-32  1.15876428e-31 -1.93127381e-32]
 [-1.09438849e-31  1.28751587e-32  6.43757935e-33]
 [ 7.72509522e-32 -1.28751587e-32 -4.50630555e-32]
 [ 3.86254761e-32  5.15006348e-32 -1.06220059e-31]
 [ 2.57503174e-32 -3.86254761e-32 -1.48064325e-31]
 [-2.57503174e-32  1.03001270e-31 -1.93127381e-32]
 [-2.57503174e-32  2.06002539e-31 -7.72509522e-32]
 [ 1.28751587e-32  3.86254761e-32 -5.15006348e-32]
 [ 1.28751587e-32  1.93127381e-32  4.50630555e-32]
 [ 1.28751587e-32 -1.24728100e-32  7.72509522e-32]
 [-1.12657639e-32 -1.28751587e-32 -1.28751587e-32]]
stress =  [-1.01718377e-14 -1.01718377e-14 -1.01718377e-14  7.47028384e-30
 -3.54939428e-63  2.19330173e-63]
energy per atom =  -2.729703167747996
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0