element(s):
['As', 'Ga']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0406', '1.6485423', '0.37393522', '6.478279e-05']
model name:
Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['As', 'Ga']
representative atom coordinates =  [[3.3333333e-01 6.6666667e-01 3.7393522e-01]
 [3.3333333e-01 6.6666667e-01 6.4782790e-05]]
spacegroup =  186
cell =  [[4.0406, 0, 0], [-2.0203, 3.4992622465314, 0], [0, 0, 6.6611]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:53:16      -13.380832         0.484648
BFGS:    1 11:53:16      -13.387854         0.438729
BFGS:    2 11:53:16      -13.416081         0.089841
BFGS:    3 11:53:16      -13.416872         0.024990
BFGS:    4 11:53:16      -13.416924         0.027532
BFGS:    5 11:53:16      -13.417068         0.038628
BFGS:    6 11:53:16      -13.417142         0.037269
BFGS:    7 11:53:16      -13.417299         0.025606
BFGS:    8 11:53:16      -13.417350         0.012170
BFGS:    9 11:53:16      -13.417359         0.001830
BFGS:   10 11:53:16      -13.417359         0.000104
BFGS:   11 11:53:16      -13.417359         0.000010
BFGS:   12 11:53:16      -13.417359         0.000000
BFGS:   13 11:53:16      -13.417359         0.000000
Minimization converged after 13 steps.
Maximum force component: 4.778296066113019e-09 eV/Angstrom
Maximum stress component: 2.933345206759753e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As', 'As', 'Ga', 'Ga']
basis =  [[0.33333333 0.66666667 0.3745    ]
 [0.66666666 0.33333334 0.8745    ]
 [0.33333333 0.66666667 0.9995    ]
 [0.66666666 0.33333334 0.4995    ]]
cellpar =  Cell([[3.997086533168609, 1.0633262374574168e-17, 2.4865430448321023e-37], [-1.9985432665843046, 3.461578478848686, -1.348554295630137e-37], [-2.840174347509446e-36, 1.5140912416520154e-36, 6.527214977446955]])
forces =  [[-6.56905271e-31  2.27558661e-31  4.77829607e-09]
 [ 2.95607372e-31 -1.70668996e-31  4.77829607e-09]
 [ 3.61297899e-31 -1.70668996e-31 -4.77829494e-09]
 [-5.25524217e-31  2.27558661e-31 -4.77829494e-09]]
stress =  [ 4.78204121e-12  4.78204121e-12 -2.93334521e-11 -1.45474574e-33
 -8.69206899e-47 -1.30891854e-27]
energy per atom =  -3.354339811573289
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0