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 15:43:10      -36.016340        7.8273
BFGS:    1 15:43:10      -37.008911        6.6440
BFGS:    2 15:43:11      -37.819091        5.3213
BFGS:    3 15:43:11      -38.331937        3.0413
BFGS:    4 15:43:11      -38.544511        2.6288
BFGS:    5 15:43:11      -38.489128        3.8871
BFGS:    6 15:43:11      -38.608456        0.9136
BFGS:    7 15:43:11      -38.626457        0.9188
BFGS:    8 15:43:11      -38.733463        1.5065
BFGS:    9 15:43:11      -38.886828        2.0324
BFGS:   10 15:43:11      -39.093393        2.6395
BFGS:   11 15:43:11      -39.353924        3.2856
BFGS:   12 15:43:11      -39.672392        3.9834
BFGS:   13 15:43:11      -40.052992        4.7358
BFGS:   14 15:43:11      -40.502830        5.5815
BFGS:   15 15:43:11      -41.024588        6.4454
BFGS:   16 15:43:11      -41.627535        7.3898
BFGS:   17 15:43:11      -42.314750        8.3493
BFGS:   18 15:43:11      -43.090825        9.3645
BFGS:   19 15:43:11      -43.952560       10.2287
BFGS:   20 15:43:11      -44.893945       10.9113
BFGS:   21 15:43:11      -45.887370       11.1946
BFGS:   22 15:43:11      -46.881550       10.7268
BFGS:   23 15:43:11      -47.792011        9.0131
BFGS:   24 15:43:11      -48.464445        4.9391
BFGS:   25 15:43:11      -48.603340        3.0396
BFGS:   26 15:43:11      -48.648149        0.8010
BFGS:   27 15:43:11      -48.650660        0.0606
BFGS:   28 15:43:11      -48.650717        0.0326
BFGS:   29 15:43:11      -48.650735        0.0055
BFGS:   30 15:43:11      -48.650735        0.0024
BFGS:   31 15:43:11      -48.650735        0.0000
BFGS:   32 15:43:11      -48.650735        0.0000
BFGS:   33 15:43:11      -48.650735        0.0000
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.