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:
Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004
==== 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 16:31:46      -32.629813         2.124739
BFGS:    1 16:31:46      -32.799530         1.608713
BFGS:    2 16:31:46      -32.981383         0.829550
BFGS:    3 16:31:46      -33.052674         0.200597
BFGS:    4 16:31:46      -33.061779         0.180000
BFGS:    5 16:31:46      -33.083847         0.113826
BFGS:    6 16:31:46      -33.095804         0.045185
BFGS:    7 16:31:46      -33.097976         0.001379
BFGS:    8 16:31:46      -33.097978         0.000016
BFGS:    9 16:31:46      -33.097978         0.000000
Minimization converged after 9 steps.
Maximum force component: 3.4291746499746724e-31 eV/Angstrom
Maximum stress component: 3.1545207711298037e-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 3.38978288e-33 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 1.56451517e-33]
 [7.50000000e-01 1.25000000e-01 1.95564397e-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([[5.908836093727022, -6.437739353785583e-33, 5.247597045216009e-33], [-6.703716221258536e-33, 5.908836093727022, 1.2896289353292249e-17], [-4.6836013922564944e-33, 1.2896289353292247e-17, 5.908836093727022]])
forces =  [[ 4.85546853e-32  9.71093706e-32  4.85546853e-32]
 [-9.71093706e-32  1.45664056e-31 -2.42773427e-31]
 [-4.20111828e-32  7.28320280e-32  2.42773427e-31]
 [ 1.45664056e-31  4.85546853e-32 -1.94218741e-31]
 [-2.35743005e-64  2.42773427e-31 -5.00720192e-32]
 [ 1.94218741e-31 -2.42773427e-32 -4.85546853e-32]
 [ 3.42917465e-31 -4.85546853e-32  9.71093706e-32]
 [ 3.39882797e-31  1.45664056e-31  9.71093706e-32]
 [ 1.45664056e-31 -1.05972693e-49 -4.85546853e-32]
 [-4.85546853e-32  1.69941399e-31 -1.09248042e-31]
 [ 7.28320280e-32  3.39882797e-31  4.85546853e-32]
 [ 4.85546853e-32  1.45664056e-31 -1.04696040e-31]]
stress =  [3.15452077e-10 3.15452077e-10 3.15452077e-10 3.69744397e-27
 1.17678011e-34 5.76511156e-52]
energy per atom =  -2.758164824166182
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0