# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = NiTi2W # 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 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.619806869e+02 2.619806869e+02 1.30 2.417303825e+02 2.417303825e+02 1.32 2.230513599e+02 2.230513599e+02 1.34 2.058097718e+02 2.058097718e+02 1.36 1.898827174e+02 1.898827174e+02 1.38 1.751588380e+02 1.751588380e+02 1.40 1.615377464e+02 1.615377464e+02 1.42 1.489291840e+02 1.489291840e+02 1.44 1.372524561e+02 1.372524561e+02 1.46 1.264356591e+02 1.264356591e+02 1.48 1.164142052e+02 1.164142052e+02 1.50 1.071291382e+02 1.071291382e+02 1.52 9.852605919e+01 9.852605919e+01 1.54 9.055483051e+01 9.055483051e+01 1.56 8.316961622e+01 8.316961622e+01 1.58 7.632873109e+01 7.632873109e+01 1.60 6.999414385e+01 6.999414385e+01 1.62 6.413085658e+01 6.413085658e+01 1.64 5.870633100e+01 5.870633100e+01 1.66 5.368990960e+01 5.368990960e+01 1.68 4.905225503e+01 4.905225503e+01 1.70 4.476503431e+01 4.476503431e+01 1.72 4.080100893e+01 4.080100893e+01 1.74 3.713441069e+01 3.713441069e+01 1.76 3.374130533e+01 3.374130533e+01 1.78 3.059976727e+01 3.059976727e+01 1.80 2.768991035e+01 2.768991035e+01 1.82 2.499397955e+01 2.499397955e+01 1.84 2.249661116e+01 2.249661116e+01 1.86 2.018388570e+01 2.018388570e+01 1.88 1.804354164e+01 1.804354164e+01 1.90 1.606412017e+01 1.606412017e+01 1.92 1.423494076e+01 1.423494076e+01 1.94 1.254589489e+01 1.254589489e+01 1.96 1.098736924e+01 1.098736924e+01 1.98 9.550272293e+00 9.550272293e+00 2.00 8.226065512e+00 8.226065512e+00 2.02 7.006728061e+00 7.006728061e+00 2.04 5.884666139e+00 5.884666139e+00 2.06 4.852630300e+00 4.852630300e+00 2.08 3.903690872e+00 3.903690872e+00 2.10 3.031274031e+00 3.031274031e+00 2.12 2.229225149e+00 2.229225149e+00 2.14 1.491863325e+00 1.491863325e+00 2.16 8.140093817e-01 8.140093817e-01 2.18 1.909823562e-01 1.909823562e-01 2.20 -3.814344881e-01 -3.814344881e-01 2.22 -9.070534547e-01 -9.070534547e-01 2.24 -1.389353881e+00 -1.389353881e+00 2.26 -1.831547092e+00 -1.831547092e+00 2.28 -2.236621417e+00 -2.236621417e+00 2.30 -2.607363557e+00 -2.607363557e+00 2.32 -2.946363246e+00 -2.946363246e+00 2.34 -3.256005459e+00 -3.256005459e+00 2.36 -3.538460083e+00 -3.538460083e+00 2.38 -3.795676695e+00 -3.795676695e+00 2.40 -4.029393780e+00 -4.029393780e+00 2.42 -4.241164423e+00 -4.241164423e+00 2.44 -4.432388835e+00 -4.432388835e+00 2.46 -4.604285788e+00 -4.604285788e+00 2.48 -4.758098281e+00 -4.758098281e+00 2.50 -4.895043975e+00 -4.895043975e+00 2.52 -5.016272918e+00 -5.016272918e+00 2.54 -5.122869540e+00 -5.122869540e+00 2.56 -5.215849846e+00 -5.215849846e+00 2.58 -5.296158584e+00 -5.296158584e+00 2.60 -5.364669801e+00 -5.364669801e+00 2.62 -5.422170655e+00 -5.422170655e+00 2.64 -5.469228371e+00 -5.469228371e+00 2.66 -5.506323349e+00 -5.506323349e+00 2.68 -5.533950014e+00 -5.533950014e+00 2.70 -5.552617421e+00 -5.552617421e+00 2.72 -5.562846941e+00 -5.562846941e+00 2.74 -5.565180983e+00 -5.565180983e+00 2.76 -5.560242320e+00 -5.560242320e+00 2.78 -5.548466220e+00 -5.548466220e+00 2.80 -5.530250584e+00 -5.530250584e+00 2.82 -5.505989445e+00 -5.505989445e+00 2.84 -5.476067331e+00 -5.476067331e+00 2.86 -5.440858603e+00 -5.440858603e+00 2.88 -5.400728057e+00 -5.400728057e+00 2.90 -5.355916039e+00 -5.355916039e+00 2.92 -5.306418400e+00 -5.306418400e+00 2.94 -5.252137303e+00 -5.252137303e+00 2.96 -5.193069099e+00 -5.193069099e+00 2.98 -5.129316496e+00 -5.129316496e+00 3.00 -5.061082158e+00 -5.061082158e+00 3.02 -4.988657316e+00 -4.988657316e+00 3.04 -4.912402687e+00 -4.912402687e+00 3.06 -4.832721724e+00 -4.832721724e+00 3.08 -4.750028271e+00 -4.750028271e+00 3.10 -4.664715548e+00 -4.664715548e+00 3.12 -4.577131378e+00 -4.577131378e+00 3.14 -4.487564451e+00 -4.487564451e+00 3.16 -4.396240705e+00 -4.396240705e+00 3.18 -4.303329486e+00 -4.303329486e+00 3.20 -4.208954524e+00 -4.208954524e+00 3.22 -4.113207180e+00 -4.113207180e+00 3.24 -4.016159695e+00 -4.016159695e+00 3.26 -3.917877385e+00 -3.917877385e+00 3.28 -3.818429499e+00 -3.818429499e+00 3.30 -3.717898776e+00 -3.717898776e+00 3.32 -3.616389842e+00 -3.616389842e+00 3.34 -3.514036417e+00 -3.514036417e+00 3.36 -3.411007141e+00 -3.411007141e+00 3.38 -3.307509672e+00 -3.307509672e+00 3.40 -3.203792588e+00 -3.203792588e+00 3.42 -3.100144842e+00 -3.100144842e+00 3.44 -2.996892121e+00 -2.996892121e+00 3.46 -2.894390544e+00 -2.894390544e+00 3.48 -2.793017457e+00 -2.793017457e+00 3.50 -2.693159806e+00 -2.693159806e+00 3.52 -2.595200600e+00 -2.595200600e+00 3.54 -2.499504163e+00 -2.499504163e+00 3.56 -2.406401134e+00 -2.406401134e+00 3.58 -2.316174477e+00 -2.316174477e+00 3.60 -2.229047965e+00 -2.229047965e+00 3.62 -2.145178590e+00 -2.145178590e+00 3.64 -2.064653938e+00 -2.064653938e+00 3.66 -1.987494809e+00 -1.987494809e+00 3.68 -1.913662487e+00 -1.913662487e+00 3.70 -1.843069387e+00 -1.843069387e+00 3.72 -1.775591467e+00 -1.775591467e+00 3.74 -1.711080849e+00 -1.711080849e+00 3.76 -1.649377463e+00 -1.649377463e+00 3.78 -1.590318895e+00 -1.590318895e+00 3.80 -1.533748048e+00 -1.533748048e+00 3.82 -1.479518482e+00 -1.479518482e+00 3.84 -1.427497506e+00 -1.427497506e+00 3.86 -1.377567213e+00 -1.377567213e+00 3.88 -1.329623797e+00 -1.329623797e+00 3.90 -1.283575551e+00 -1.283575551e+00 3.92 -1.239340025e+00 -1.239340025e+00 3.94 -1.196841174e+00 -1.196841174e+00 3.96 -1.156006198e+00 -1.156006198e+00 3.98 -1.116763555e+00 -1.116763555e+00 4.00 -1.079041469e+00 -1.079041469e+00 4.02 -1.042767341e+00 -1.042767341e+00 4.04 -1.007867830e+00 -1.007867830e+00 4.06 -9.742694333e-01 -9.742694333e-01 4.08 -9.418993021e-01 -9.418993021e-01 4.10 -9.106859714e-01 -9.106859714e-01 4.12 -8.805607494e-01 -8.805607494e-01 4.14 -8.514573801e-01 -8.514573801e-01 4.16 -8.233131629e-01 -8.233131629e-01 4.18 -7.960690625e-01 -7.960690625e-01 4.20 -7.696698867e-01 -7.696698867e-01 4.22 -7.440644087e-01 -7.440644087e-01 4.24 -7.192054794e-01 -7.192054794e-01 4.26 -6.950501738e-01 -6.950501738e-01 4.28 -6.715599917e-01 -6.715599917e-01 4.30 -6.487011224e-01 -6.487011224e-01 4.32 -6.264447556e-01 -6.264447556e-01 4.34 -6.047674033e-01 -6.047674033e-01 4.36 -5.836511746e-01 -5.836511746e-01 4.38 -5.630839289e-01 -5.630839289e-01 4.40 -5.430592255e-01 -5.430592255e-01 4.42 -5.235759932e-01 -5.235759932e-01 4.44 -5.046378628e-01 -5.046378628e-01 4.46 -4.862521487e-01 -4.862521487e-01 4.48 -4.684285119e-01 -4.684285119e-01 4.50 -4.511773970e-01 -4.511773970e-01 4.52 -4.345083808e-01 -4.345083808e-01 4.54 -4.184285976e-01 -4.184285976e-01 4.56 -4.029414039e-01 -4.029414039e-01 4.58 -3.880454142e-01 -3.880454142e-01 4.60 -3.737339823e-01 -3.737339823e-01 4.62 -3.599951415e-01 -3.599951415e-01 4.64 -3.468119556e-01 -3.468119556e-01 4.66 -3.341631899e-01 -3.341631899e-01 4.68 -3.220241909e-01 -3.220241909e-01 4.70 -3.103678649e-01 -3.103678649e-01 4.72 -2.991656613e-01 -2.991656613e-01 4.74 -2.883884937e-01 -2.883884937e-01 4.76 -2.780075584e-01 -2.780075584e-01 4.78 -2.679950354e-01 -2.679950354e-01 4.80 -2.583245900e-01 -2.583245900e-01 4.82 -2.489722016e-01 -2.489722016e-01 4.84 -2.399160124e-01 -2.399160124e-01 4.86 -2.311370241e-01 -2.311370241e-01 4.88 -2.226192414e-01 -2.226192414e-01 4.90 -2.143498389e-01 -2.143498389e-01 4.92 -2.063192361e-01 -2.063192361e-01 4.94 -1.985210605e-01 -1.985210605e-01 4.96 -1.909519746e-01 -1.909519746e-01 4.98 -1.836113487e-01 -1.836113487e-01 5.00 -1.765007775e-01 -1.765007775e-01 5.02 -1.696234499e-01 -1.696234499e-01 5.04 -1.629834095e-01 -1.629834095e-01 5.06 -1.565847623e-01 -1.565847623e-01 5.08 -1.504308483e-01 -1.504308483e-01 5.10 -1.445233060e-01 -1.445233060e-01 5.12 -1.388623461e-01 -1.388623461e-01 5.14 -1.334459520e-01 -1.334459520e-01 5.16 -1.282696315e-01 -1.282696315e-01 5.18 -1.233264975e-01 -1.233264975e-01 5.20 -1.186075117e-01 -1.186075117e-01 5.22 -1.141018422e-01 -1.141018422e-01 5.24 -1.097972802e-01 -1.097972802e-01 5.26 -1.056806692e-01 -1.056806692e-01 5.28 -1.017383061e-01 -1.017383061e-01 5.30 -9.795629216e-02 -9.795629216e-02 5.32 -9.432081877e-02 -9.432081877e-02 5.34 -9.081838634e-02 -9.081838634e-02 5.36 -8.743596162e-02 -8.743596162e-02 5.38 -8.416108288e-02 -8.416108288e-02 5.40 -8.098192543e-02 -8.098192543e-02 5.42 -7.788734006e-02 -7.788734006e-02 5.44 -7.486687666e-02 -7.486687666e-02 5.46 -7.191080382e-02 -7.191080382e-02 5.48 -6.901013348e-02 -6.901013348e-02 5.50 -6.615665796e-02 -6.615665796e-02 5.52 -6.334300450e-02 -6.334300450e-02 5.54 -6.056271026e-02 -6.056271026e-02 5.56 -5.781031860e-02 -5.781031860e-02 5.58 -5.508149423e-02 -5.508149423e-02 5.60 -5.237315240e-02 -5.237315240e-02 5.62 -4.968359354e-02 -4.968359354e-02 5.64 -4.701263172e-02 -4.701263172e-02 5.66 -4.436170209e-02 -4.436170209e-02 5.68 -4.173393029e-02 -4.173393029e-02 5.70 -3.913414583e-02 -3.913414583e-02 5.72 -3.656882268e-02 -3.656882268e-02 5.74 -3.404593395e-02 -3.404593395e-02 5.76 -3.157471382e-02 -3.157471382e-02 5.78 -2.916532923e-02 -2.916532923e-02 5.80 -2.682847206e-02 -2.682847206e-02 5.82 -2.457489657e-02 -2.457489657e-02 5.84 -2.241493239e-02 -2.241493239e-02 5.86 -2.035800936e-02 -2.035800936e-02 5.88 -1.841223165e-02 -1.841223165e-02 5.90 -1.658403385e-02 -1.658403385e-02 5.92 -1.487784984e-02 -1.487784984e-02 5.94 -1.329596146e-02 -1.329596146e-02 5.96 -1.183900217e-02 -1.183900217e-02 5.98 -1.050565987e-02 -1.050565987e-02 6.00 -9.292849631e-03 -9.292849631e-03