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:
MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_002
==== 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 10:34:05      -78.328670         0.425937
BFGS:    1 10:34:06      -78.337523         0.415030
BFGS:    2 10:34:06      -78.387732         0.326769
BFGS:    3 10:34:06      -78.410461         0.238920
BFGS:    4 10:34:06      -78.420826         0.259022
BFGS:    5 10:34:06      -78.434602         0.210663
BFGS:    6 10:34:07      -78.442858         0.102651
BFGS:    7 10:34:07      -78.445355         0.066806
BFGS:    8 10:34:07      -78.445581         0.055044
BFGS:    9 10:34:07      -78.445657         0.049386
BFGS:   10 10:34:07      -78.445841         0.038966
BFGS:   11 10:34:08      -78.446220         0.031084
BFGS:   12 10:34:08      -78.446857         0.031513
BFGS:   13 10:34:08      -78.447478         0.020633
BFGS:   14 10:34:09      -78.447746         0.008670
BFGS:   15 10:34:09      -78.447784         0.001947
BFGS:   16 10:34:09      -78.447785         0.000139
BFGS:   17 10:34:09      -78.447785         0.000009
BFGS:   18 10:34:09      -78.447785         0.000000
BFGS:   19 10:34:09      -78.447785         0.000000
Minimization converged after 19 steps.
Maximum force component: 3.1112355877486473e-09 eV/Angstrom
Maximum stress component: 4.770295598446777e-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 6.89874758e-34 5.00153048e-54]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 3.75114786e-54]
 [5.00000000e-01 6.90245593e-34 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [8.25311872e-01 6.50623744e-01 2.50000000e-01]
 [3.49376256e-01 1.74688128e-01 2.50000000e-01]
 [8.25311872e-01 1.74688128e-01 2.50000000e-01]
 [1.74688128e-01 3.49376256e-01 7.50000000e-01]
 [6.50623744e-01 8.25311872e-01 7.50000000e-01]
 [1.74688128e-01 8.25311872e-01 7.50000000e-01]
 [8.73503560e-17 3.82957420e-50 2.77640715e-69]
 [8.73503560e-17 1.33511522e-49 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[5.15774161803194, -1.5648139938210187e-17, -4.107601915347713e-37], [-2.57887080901597, 4.466735267371913, 5.642854840491003e-37], [-6.136618676311096e-37, -3.312848439780443e-36, 8.349833868409233]])
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]
 [ 7.87159476e-26 -3.11123559e-09  1.02919648e-31]
 [ 2.69440906e-09  1.55561779e-09 -6.43247803e-32]
 [-2.69440906e-09  1.55561779e-09  8.79105331e-32]
 [-2.85511101e-25  3.11123559e-09  2.49990015e-46]
 [-2.69440906e-09 -1.55561779e-09  8.95865016e-47]
 [ 2.69440906e-09 -1.55561779e-09 -3.39576517e-46]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.93358022e-31 -2.93636069e-31  1.71532747e-32]
 [-5.40379627e-31  3.48692832e-31  7.10533068e-68]]
stress =  [2.26763323e-10 2.26763323e-10 4.77029560e-10 1.92783209e-34
 4.77014733e-35 1.00498277e-25]
energy per atom =  -4.902986574140316
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0