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 15:44:45      -32.629813         2.124739
BFGS:    1 15:44:45      -32.799530         1.608713
BFGS:    2 15:44:45      -32.981383         0.829550
BFGS:    3 15:44:45      -33.052674         0.200597
BFGS:    4 15:44:45      -33.061779         0.180000
BFGS:    5 15:44:45      -33.083847         0.113826
BFGS:    6 15:44:45      -33.095804         0.045185
BFGS:    7 15:44:45      -33.097976         0.001379
BFGS:    8 15:44:45      -33.097978         0.000016
BFGS:    9 15:44:45      -33.097978         0.000000
Minimization converged after 9 steps.
Maximum force component: 2.9132811185625527e-31 eV/Angstrom
Maximum stress component: 3.154512616343656e-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 6.69808059e-33 2.50000000e-01]
 [1.25000000e-01 2.15120837e-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 0.00000000e+00]
 [7.50000000e-01 1.25000000e-01 0.00000000e+00]
 [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([[5.90883609372702, 5.720919207759947e-33, -1.2376369544739664e-33], [-1.6959547566402662e-32, 5.90883609372702, 3.0709589526290564e-18], [7.989926248434849e-35, 3.0709589526290583e-18, 5.90883609372702]])
forces =  [[-2.48842762e-31 -2.42773427e-32 -1.94218741e-31]
 [ 9.71093706e-32 -8.49706993e-32  9.71093706e-32]
 [-3.64160140e-32  1.21386713e-32 -7.28320280e-32]
 [ 2.42773427e-31 -3.03466783e-32  1.03178706e-31]
 [-1.82080070e-31 -2.91328112e-31 -4.85546853e-32]
 [ 1.06213374e-32  9.71093706e-32 -9.10400350e-33]
 [-6.06933566e-32 -2.83893687e-50 -5.46240210e-32]
 [ 1.09248042e-31  4.85546853e-32 -1.82080070e-32]
 [-4.24853496e-32 -1.81321403e-31  9.71093706e-32]
 [-1.27076715e-32  9.40747028e-32 -8.49706993e-32]
 [ 4.85546853e-32 -6.67626923e-32 -9.71093706e-32]
 [-2.12426748e-32  1.21386713e-32 -1.51733392e-32]]
stress =  [ 3.15451262e-10  3.15451262e-10  3.15451262e-10  2.06146791e-26
 -4.70712043e-34 -2.96992565e-50]
energy per atom =  -2.7581648241661783
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0