# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-W # implementation = 2025--Sharifi-H--Ni-W--LAMMPS--ipr1 # composition = NiW3 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2025-07-01 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 3.180921170e+03 nan nan 0.92 2.922228447e+03 nan nan 0.94 2.679818737e+03 nan nan 0.96 2.452162447e+03 nan nan 0.98 2.240255136e+03 2.875804538e+03 nan 1.00 2.044376284e+03 2.649938913e+03 nan 1.02 1.864303414e+03 2.443274699e+03 2.464537493e+03 1.04 1.699472627e+03 2.252058947e+03 2.274244725e+03 1.06 1.548063265e+03 2.072672090e+03 2.093487565e+03 1.08 1.406255995e+03 1.905394791e+03 1.923310644e+03 1.10 1.274712091e+03 1.750207582e+03 1.764299669e+03 1.12 1.153862426e+03 1.606661534e+03 1.616625775e+03 1.14 1.043649293e+03 1.473264831e+03 1.480159690e+03 1.16 9.436870544e+02 1.349787380e+03 1.354560263e+03 1.18 8.533796135e+02 1.236048500e+03 1.239342526e+03 1.20 7.720058921e+02 1.131682062e+03 1.133929702e+03 1.22 6.987819388e+02 1.036202086e+03 1.037692495e+03 1.24 6.329063442e+02 9.490515896e+02 9.499784085e+02 1.26 5.735938281e+02 8.696384839e+02 8.701332554e+02 1.28 5.201011342e+02 7.973637263e+02 7.975198141e+02 1.30 4.713025632e+02 7.304583880e+02 7.298250426e+02 1.32 4.260836259e+02 6.670117297e+02 6.645318072e+02 1.34 3.842899004e+02 6.074900292e+02 6.025440443e+02 1.36 3.457594556e+02 5.521564129e+02 5.444610172e+02 1.38 3.103255860e+02 5.010902694e+02 4.906024873e+02 1.40 2.778277390e+02 4.542396037e+02 4.410827803e+02 1.42 2.481148105e+02 4.114613112e+02 3.958684082e+02 1.44 2.210433873e+02 3.725519043e+02 3.548225951e+02 1.46 1.964735087e+02 3.372706946e+02 3.177393715e+02 1.48 1.742641607e+02 3.053570921e+02 2.843694630e+02 1.50 1.542700190e+02 2.765432977e+02 2.544396918e+02 1.52 1.363401495e+02 2.505634238e+02 2.276672974e+02 1.54 1.203186646e+02 2.271598662e+02 2.037703010e+02 1.56 1.060468727e+02 2.060875674e+02 1.824747976e+02 1.58 9.336626990e+01 1.871166906e+02 1.635198973e+02 1.60 8.212173159e+01 1.700340973e+02 1.466608593e+02 1.62 7.216442005e+01 1.546439467e+02 1.316708786e+02 1.64 6.335411394e+01 1.407676612e+02 1.183418717e+02 1.66 5.556083684e+01 1.282434428e+02 1.064845296e+02 1.68 4.866579677e+01 1.169254896e+02 9.592785741e+01 1.70 4.256172672e+01 1.066830184e+02 8.651835769e+01 1.72 3.715274957e+01 9.739917457e+01 7.811898394e+01 1.74 3.235388479e+01 8.896989378e+01 7.060796324e+01 1.76 2.809033319e+01 8.130275169e+01 6.387755154e+01 1.78 2.429663169e+01 7.431583613e+01 5.783277784e+01 1.80 2.091575156e+01 6.793664430e+01 5.239021287e+01 1.82 1.789819276e+01 6.210099803e+01 4.747678378e+01 1.84 1.520111383e+01 5.675207779e+01 4.302866714e+01 1.86 1.278745035e+01 5.183954839e+01 3.899025472e+01 1.88 1.062491491e+01 4.731875765e+01 3.531319855e+01 1.90 8.685242071e+00 4.315001687e+01 3.195554175e+01 1.92 6.943684787e+00 3.929796796e+01 2.888093119e+01 1.94 5.378574981e+00 3.573104326e+01 2.605790984e+01 1.96 3.970929472e+00 3.242102226e+01 2.345928571e+01 1.98 2.704100136e+00 2.934267307e+01 2.106157040e+01 2.00 1.563476228e+00 2.647345706e+01 1.884448337e+01 2.02 5.362187743e-01 2.379334996e+01 1.679051590e+01 2.04 -3.889722811e-01 2.128474611e+01 1.488454863e+01 2.06 -1.222060355e+00 1.893240190e+01 1.311351589e+01 2.08 -1.971846954e+00 1.672335790e+01 1.146606393e+01 2.10 -2.646123163e+00 1.464682745e+01 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-4.940728139e+00 2.48 -7.180728321e+00 -5.509126104e+00 -5.292821908e+00 2.50 -7.175142340e+00 -5.812103471e+00 -5.612221726e+00 2.52 -7.157019382e+00 -6.071815229e+00 -5.900831018e+00 2.54 -7.127425512e+00 -6.292456273e+00 -6.160452272e+00 2.56 -7.087350263e+00 -6.477884387e+00 -6.392791401e+00 2.58 -7.037711718e+00 -6.631623665e+00 -6.599461855e+00 2.60 -6.979361130e+00 -6.756876542e+00 -6.781988501e+00 2.62 -6.913087129e+00 -6.856541537e+00 -6.941811266e+00 2.64 -6.839619556e+00 -6.933234424e+00 -7.080288540e+00 2.66 -6.759632948e+00 -6.989311049e+00 -7.198700351e+00 2.68 -6.673749715e+00 -7.026890512e+00 -7.298251310e+00 2.70 -6.582543032e+00 -7.047877796e+00 -7.380073319e+00 2.72 -6.486539469e+00 -7.053985275e+00 -7.445228062e+00 2.74 -6.386221376e+00 -7.046752740e+00 -7.494709268e+00 2.76 -6.282028778e+00 -7.027564978e+00 -7.529443648e+00 2.78 -6.174360602e+00 -6.997666395e+00 -7.550289827e+00 2.80 -6.063577569e+00 -6.958178780e+00 -7.558044084e+00 2.82 -5.950004225e+00 -6.910115427e+00 -7.553443038e+00 2.84 -5.833930597e+00 -6.854392925e+00 -7.537165056e+00 2.86 -5.715613885e+00 -6.791841593e+00 -7.509831727e+00 2.88 -5.595280309e+00 -6.723214692e+00 -7.472009524e+00 2.90 -5.473127231e+00 -6.649196558e+00 -7.424211852e+00 2.92 -5.349325758e+00 -6.570409755e+00 -7.366901724e+00 2.94 -5.224024074e+00 -6.487421385e+00 -7.300495391e+00 2.96 -5.097351793e+00 -6.400748648e+00 -7.225367332e+00 2.98 -4.969425713e+00 -6.310863746e+00 -7.141857111e+00 3.00 -4.840357366e+00 -6.218198212e+00 -7.050278633e+00 3.02 -4.710262755e+00 -6.123146743e+00 -6.950932394e+00 3.04 -4.579274579e+00 -6.026070597e+00 -6.844121249e+00 3.06 -4.447557007e+00 -5.927300610e+00 -6.730169977e+00 3.08 -4.315322581e+00 -5.827139880e+00 -6.609448572e+00 3.10 -4.182850177e+00 -5.725866165e+00 -6.482398483e+00 3.12 -4.050501954e+00 -5.623734029e+00 -6.349560090e+00 3.14 -3.918736172e+00 -5.520976763e+00 -6.211598526e+00 3.16 -3.788111818e+00 -5.417808119e+00 -6.069323762e+00 3.18 -3.659280657e+00 -5.314423868e+00 -5.923699900e+00 3.20 -3.532963149e+00 -5.211003214e+00 -5.775838452e+00 3.22 -3.409907043e+00 -5.107710071e+00 -5.626971420e+00 3.24 -3.290831264e+00 -5.004694228e+00 -5.478402501e+00 3.26 -3.176362193e+00 -4.902092412e+00 -5.331438718e+00 3.28 -3.066973061e+00 -4.800029249e+00 -5.187309333e+00 3.30 -2.962938346e+00 -4.698618161e+00 -5.047082900e+00 3.32 -2.864312868e+00 -4.597962173e+00 -4.911595362e+00 3.34 -2.770939988e+00 -4.498154665e+00 -4.781401146e+00 3.36 -2.682486733e+00 -4.399280061e+00 -4.656755326e+00 3.38 -2.598497835e+00 -4.301414469e+00 -4.537628976e+00 3.40 -2.518457478e+00 -4.204626268e+00 -4.423753589e+00 3.42 -2.441847484e+00 -4.108976657e+00 -4.314685497e+00 3.44 -2.368193272e+00 -4.014520161e+00 -4.209878749e+00 3.46 -2.297093006e+00 -3.921305106e+00 -4.108755113e+00 3.48 -2.228229518e+00 -3.829374053e+00 -4.010762273e+00 3.50 -2.161367893e+00 -3.738764214e+00 -3.915414827e+00 3.52 -2.096343502e+00 -3.649507826e+00 -3.822316795e+00 3.54 -2.033045593e+00 -3.561632518e+00 -3.731168240e+00 3.56 -1.971400738e+00 -3.475161637e+00 -3.641757540e+00 3.58 -1.911358858e+00 -3.390114562e+00 -3.553946246e+00 3.60 -1.852883000e+00 -3.306507000e+00 -3.467652280e+00 3.62 -1.795942727e+00 -3.224351256e+00 -3.382832333e+00 3.64 -1.740510362e+00 -3.143656491e+00 -3.299467418e+00 3.66 -1.686559106e+00 -3.064428963e+00 -3.217552122e+00 3.68 -1.634062238e+00 -2.986672255e+00 -3.137087418e+00 3.70 -1.582992834e+00 -2.910387484e+00 -3.058076347e+00 3.72 -1.533323726e+00 -2.835573500e+00 -2.980521702e+00 3.74 -1.485027533e+00 -2.762227074e+00 -2.904424946e+00 3.76 -1.438076714e+00 -2.690343073e+00 -2.829785807e+00 3.78 -1.392443625e+00 -2.619914622e+00 -2.756602192e+00 3.80 -1.348100581e+00 -2.550933257e+00 -2.684870239e+00 3.82 -1.305019899e+00 -2.483389072e+00 -2.614584426e+00 3.84 -1.263173950e+00 -2.417270850e+00 -2.545737680e+00 3.86 -1.222535201e+00 -2.352566192e+00 -2.478321494e+00 3.88 -1.183076253e+00 -2.289261629e+00 -2.412326038e+00 3.90 -1.144769882e+00 -2.227342737e+00 -2.347740260e+00 3.92 -1.107589066e+00 -2.166794234e+00 -2.284551990e+00 3.94 -1.071507021e+00 -2.107600078e+00 -2.222748030e+00 3.96 -1.036497224e+00 -2.049743554e+00 -2.162314243e+00 3.98 -1.002533439e+00 -1.993207353e+00 -2.103235638e+00 4.00 -9.695897392e-01 -1.937973651e+00 -2.045496452e+00 4.02 -9.363127883e-01 -1.884024174e+00 -1.989080217e+00 4.04 -8.849453359e-01 -1.831340268e+00 -1.933969842e+00 4.06 -7.802967624e-01 -1.779902950e+00 -1.880147668e+00 4.08 -6.552755232e-01 -1.729692968e+00 -1.827595541e+00 4.10 -6.318904121e-01 -1.680690849e+00 -1.776294864e+00 4.12 -6.117404443e-01 -1.632876942e+00 -1.726226657e+00 4.14 -5.921797668e-01 -1.586231461e+00 -1.677371607e+00 4.16 -5.731938849e-01 -1.540734519e+00 -1.629710119e+00 4.18 -5.547685074e-01 -1.496366167e+00 -1.583222360e+00 4.20 -5.368895538e-01 -1.453106420e+00 -1.537888306e+00 4.22 -5.195431608e-01 -1.410935287e+00 -1.493687780e+00 4.24 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