element(s):
['In', '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:
['3.5621', '1.6200837', '0.99844112', '0.37655888']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['In', 'N']
representative atom coordinates =  [[0.33333333 0.66666667 0.49844112]
 [0.33333333 0.66666667 0.87655888]]
spacegroup =  186
cell =  [[3.5621, 0, 0], [-1.78105, 3.0848690908205, 0], [0, 0, 5.7709]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:44:26      -31.186475         7.153492
BFGS:    1 11:44:26      -32.108801         6.275596
BFGS:    2 11:44:26      -32.878643         5.138361
BFGS:    3 11:44:26      -33.429784         3.619967
BFGS:    4 11:44:26      -33.733486         1.922844
BFGS:    5 11:44:26      -33.797902         0.614706
BFGS:    6 11:44:26      -33.810779         1.029962
BFGS:    7 11:44:26      -33.884277         2.234600
BFGS:    8 11:44:26      -33.944694         3.968125
BFGS:    9 11:44:26      -34.124991         3.163270
BFGS:   10 11:44:26      -34.296924         2.560396
BFGS:   11 11:44:26      -34.467536         1.870987
BFGS:   12 11:44:27      -34.634184         2.808846
BFGS:   13 11:44:27      -34.793270         3.826613
BFGS:   14 11:44:27      -34.939474         4.861674
BFGS:   15 11:44:27      -35.075809         5.800622
BFGS:   16 11:44:27      -35.233015         6.383672
BFGS:   17 11:44:27      -35.383243         7.327277
BFGS:   18 11:44:27      -35.584188         9.289387
BFGS:   19 11:44:27      -35.744578        11.124514
BFGS:   20 11:44:27      -35.919295        13.312112
BFGS:   21 11:44:27      -36.121088        15.766755
BFGS:   22 11:44:27      -36.330515        18.409663
BFGS:   23 11:44:27      -36.672891        22.677124
BFGS:   24 11:44:27      -36.822896        22.659706
BFGS:   25 11:44:27      -37.288406        24.099075
BFGS:   26 11:44:27      -38.316221        19.904549
BFGS:   27 11:44:27      -39.317193        14.523833
BFGS:   28 11:44:27      -40.154424         9.563028
BFGS:   29 11:44:27      -40.876679         7.183443
BFGS:   30 11:44:27      -41.593553         5.824056
BFGS:   31 11:44:27      -41.861656         0.672064
BFGS:   32 11:44:27      -41.868286         0.336675
BFGS:   33 11:44:27      -41.870369         0.029965
BFGS:   34 11:44:27      -41.870379         0.005717
BFGS:   35 11:44:27      -41.870380         0.000204
BFGS:   36 11:44:27      -41.870380         0.000006
BFGS:   37 11:44:27      -41.870380         0.000001
BFGS:   38 11:44:27      -41.870380         0.000000
BFGS:   39 11:44:27      -41.870380         0.000000
BFGS:   40 11:44:27      -41.870380         0.000000
BFGS:   41 11:44:27      -41.870380         0.000000
Minimization converged after 41 steps.
Maximum force component: 5.129654833714581e-09 eV/Angstrom
Maximum stress component: 3.0902721217484575e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['In', 'In', 'N', 'N']
basis =  [[0.33333333 0.66666667 0.4375    ]
 [0.66666666 0.33333334 0.9375    ]
 [0.33333333 0.66666667 0.9375    ]
 [0.66666666 0.33333334 0.4375    ]]
cellpar =  Cell([[3.578679099539689, -3.512261344744174e-17, 1.4960376827917583e-35], [-1.7893395497698446, 3.09922701219379, 1.2333749754908676e-34], [-2.86223939045186e-35, 2.588826523442505e-34, 4.165802448504616]])
forces =  [[-3.52885004e-31  6.11214757e-31 -5.12965372e-09]
 [ 1.64679669e-30  4.07476504e-31 -5.12965372e-09]
 [-2.11731003e-30  4.07476504e-31  5.12965483e-09]
 [ 2.23493836e-30 -6.11214757e-31  5.12965483e-09]]
stress =  [-2.02295077e-11 -2.02295077e-11 -3.09027212e-10  5.09175066e-33
 -2.47721995e-44 -2.03808482e-28]
energy per atom =  -10.467594911545872
===============================================
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.