element(s):
['Ga', 'N']
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:
['3.205', '1.6289236', '0.00016799968', '0.376832']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga', 'N']
representative atom coordinates =  [[0.33333333 0.66666667 0.500168  ]
 [0.33333333 0.66666667 0.876832  ]]
spacegroup =  186
cell =  [[3.205, 0, 0], [-1.6025, 2.7756114191291, 0], [0, 0, 5.2207]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:44:26      -36.016340         7.827261
BFGS:    1 11:44:26      -37.008911         6.643989
BFGS:    2 11:44:26      -37.819091         5.321303
BFGS:    3 11:44:26      -38.331937         3.041327
BFGS:    4 11:44:26      -38.544511         2.628817
BFGS:    5 11:44:26      -38.489128         3.887059
BFGS:    6 11:44:26      -38.608456         0.913640
BFGS:    7 11:44:26      -38.626457         0.918826
BFGS:    8 11:44:26      -38.733463         1.506485
BFGS:    9 11:44:26      -38.886828         2.032420
BFGS:   10 11:44:26      -39.093393         2.639537
BFGS:   11 11:44:26      -39.353924         3.285564
BFGS:   12 11:44:26      -39.672392         3.983396
BFGS:   13 11:44:26      -40.052992         4.735808
BFGS:   14 11:44:26      -40.502830         5.581499
BFGS:   15 11:44:26      -41.024588         6.445377
BFGS:   16 11:44:26      -41.627535         7.389834
BFGS:   17 11:44:26      -42.314750         8.349265
BFGS:   18 11:44:26      -43.090825         9.364486
BFGS:   19 11:44:26      -43.952560        10.228657
BFGS:   20 11:44:26      -44.893945        10.911276
BFGS:   21 11:44:26      -45.887370        11.194617
BFGS:   22 11:44:26      -46.881550        10.726809
BFGS:   23 11:44:26      -47.792011         9.013073
BFGS:   24 11:44:26      -48.464445         4.939057
BFGS:   25 11:44:26      -48.603340         3.039613
BFGS:   26 11:44:26      -48.648149         0.800959
BFGS:   27 11:44:26      -48.650660         0.060608
BFGS:   28 11:44:26      -48.650717         0.032561
BFGS:   29 11:44:26      -48.650735         0.005488
BFGS:   30 11:44:26      -48.650735         0.002368
BFGS:   31 11:44:26      -48.650735         0.000026
BFGS:   32 11:44:26      -48.650735         0.000001
BFGS:   33 11:44:26      -48.650735         0.000000
Minimization converged after 33 steps.
Maximum force component: 7.983996430291613e-10 eV/Angstrom
Maximum stress component: 7.782186626370418e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'N', 'N']
basis =  [[0.33333333 0.66666667 0.4385    ]
 [0.66666666 0.33333334 0.9385    ]
 [0.33333333 0.66666667 0.9385    ]
 [0.66666666 0.33333334 0.4385    ]]
cellpar =  Cell([[3.231541704835411, -5.5090837274016234e-18, -1.95945329236163e-35], [-1.6157708524177055, 2.7985972097763403, -4.518506681398162e-35], [-6.53751057812287e-35, -5.323212784347372e-35, 3.754667554591898]])
forces =  [[ 9.34720202e-30 -4.41540786e-30  7.98399643e-10]
 [-4.24872819e-30  1.47180262e-30  7.98399643e-10]
 [-4.24872819e-31  7.35901309e-31 -7.98396638e-10]
 [-4.24872819e-31  7.35901309e-31 -7.98396638e-10]]
stress =  [-6.56900305e-11 -6.56900305e-11 -7.78218663e-10 -1.62647681e-44
 -5.87785264e-45  2.12069697e-26]
energy per atom =  -12.162683752655399
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_hP4_186_b_b, while relaxed is AB_hP4_194_c_d. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.