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_NordAlbeErhart_2003_GaN__SM_333071728528_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 17:32:17      -27.535445        9.7365
BFGS:    1 17:32:17      -28.887747        8.2931
BFGS:    2 17:32:18      -30.024324        6.8685
BFGS:    3 17:32:18      -30.951510        5.5081
BFGS:    4 17:32:18      -31.681744        4.2474
BFGS:    5 17:32:18      -32.231964        3.1109
BFGS:    6 17:32:18      -32.621845        2.1106
BFGS:    7 17:32:18      -32.871977        1.2466
BFGS:    8 17:32:18      -33.002084        0.5075
BFGS:    9 17:32:18      -33.030995        0.0614
BFGS:   10 17:32:18      -33.031453        0.0033
BFGS:   11 17:32:18      -33.031454        0.0000
BFGS:   12 17:32:18      -33.031454        0.0000
Minimization converged after 12 steps.
Maximum force component: 4.338459272838017e-23 eV/Angstrom
Maximum stress component: 4.6474523496412796e-10 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 0.00000000e+00]
 [7.50000000e-01 1.25000000e-01 1.19799727e-34]
 [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([[5.827639369200431, -1.0538666894618982e-32, -3.601572142153024e-33], [2.349846536764127e-33, 5.827639369200431, 1.7160900279322447e-18], [4.449280090279091e-33, 1.7160900279322432e-18, 5.827639369200431]])
forces =  [[-6.42734707e-24 -4.44390794e-24  3.21367354e-24]
 [ 1.28546941e-23  2.12905872e-23 -1.12478574e-23]
 [-1.28546941e-23 -4.73172134e-42 -1.60683677e-23]
 [-2.73162251e-23 -3.21367354e-24 -1.60683677e-23]
 [ 4.82051030e-24 -2.57093883e-23 -3.21367354e-24]
 [-2.04871688e-23  2.89230618e-23  8.51709840e-42]
 [-7.68268830e-24 -1.60683677e-23  1.28546941e-23]
 [-1.12478574e-23 -6.42734707e-24 -2.57093883e-23]
 [-5.62392869e-24 -2.08888780e-23  4.33845927e-23]
 [ 2.41025515e-23 -6.42734707e-24 -3.85640824e-23]
 [ 1.16746734e-24 -1.92820412e-23 -5.67806560e-42]
 [-3.61538273e-23  3.21367354e-24 -2.12905872e-23]]
stress =  [4.64745235e-10 4.64745235e-10 4.64745235e-10 2.93140981e-26
 1.01485447e-27 4.33303756e-44]
energy per atom =  -2.7526211799738243
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0