element(s):
['Ni', 'Ti']
AFLOW prototype label:
A3B_hP16_194_gh_ac
Parameter names:
['a', 'c/a', 'x4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.084', '1.6342054', '0.82746992']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Ni', 'Ti', 'Ti']
representative atom coordinates =  [[0.5        0.         0.        ]
 [0.82746992 0.65493984 0.25      ]
 [0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[5.084, 0, 0], [-2.542, 4.4028731528401, 0], [0, 0, 8.3083]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:33:50     -192.736872        21.194245
BFGS:    1 10:33:51     -196.572849        19.397663
BFGS:    2 10:33:51     -198.957176        17.557548
BFGS:    3 10:33:51     -201.134294        15.831291
BFGS:    4 10:33:51     -203.065334        14.204205
BFGS:    5 10:33:51     -204.776189        12.675355
BFGS:    6 10:33:52     -206.283106        11.238364
BFGS:    7 10:33:52     -207.603169         9.896561
BFGS:    8 10:33:52     -208.748560         8.635768
BFGS:    9 10:33:53     -209.732168         7.440810
BFGS:   10 10:33:54     -210.565820         6.326640
BFGS:   11 10:33:54     -211.260775         5.269691
BFGS:   12 10:33:54     -211.826586         4.285745
BFGS:   13 10:33:55     -212.272714         3.355572
BFGS:   14 10:33:56     -212.608151         2.485345
BFGS:   15 10:33:57     -212.841977         1.669043
BFGS:   16 10:33:57     -212.983229         0.907909
BFGS:   17 10:33:58     -213.041656         0.253851
BFGS:   18 10:33:59     -213.045970         0.327635
BFGS:   19 10:33:59     -213.047783         0.297819
BFGS:   20 10:34:00     -213.050745         0.143312
BFGS:   21 10:34:00     -213.051514         0.036496
BFGS:   22 10:34:01     -213.051625         0.005909
BFGS:   23 10:34:01     -213.051629         0.000653
BFGS:   24 10:34:02     -213.051629         0.000042
BFGS:   25 10:34:03     -213.051629         0.000001
BFGS:   26 10:34:03     -213.051629         0.000000
Minimization converged after 26 steps.
Maximum force component: 1.307730304638928e-09 eV/Angstrom
Maximum stress component: 5.954229301325583e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[5.00000000e-01 1.45158965e-34 0.00000000e+00]
 [1.65640367e-16 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 1.41914550e-34 5.00000000e-01]
 [1.65640367e-16 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [8.17451568e-01 6.34903137e-01 2.50000000e-01]
 [3.65096863e-01 1.82548432e-01 2.50000000e-01]
 [8.17451568e-01 1.82548432e-01 2.50000000e-01]
 [1.82548432e-01 3.65096863e-01 7.50000000e-01]
 [6.34903137e-01 8.17451568e-01 7.50000000e-01]
 [1.82548432e-01 8.17451568e-01 7.50000000e-01]
 [8.73503560e-17 2.30226894e-50 0.00000000e+00]
 [8.73503560e-17 3.28073324e-50 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[5.362089195880514, 7.4659607921846565e-19, -5.931395353452622e-37], [-2.681044597940257, 4.6437054609905974, 6.960875922930128e-37], [3.4459608716467444e-36, 3.013221900794816e-35, 8.474428205068355]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.85640844e-25 -1.30773030e-09 -3.48184641e-32]
 [ 1.13252767e-09  6.53865152e-10  4.52640033e-31]
 [-1.13252767e-09  6.53865152e-10 -4.17821569e-31]
 [-1.82243267e-25  1.30773030e-09  1.12509626e-46]
 [-1.13252767e-09 -6.53865152e-10  6.90222772e-47]
 [ 1.13252767e-09 -6.53865152e-10 -1.81531904e-46]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.52495211e-31  6.10539616e-31  2.92475098e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-5.95422930e-10 -5.95422930e-10 -3.49531057e-11  1.41991727e-32
  1.30201881e-32 -5.63326969e-26]
energy per atom =  -13.315726804748392
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0