# 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 = Ni2TiW # 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 2.076367239e+02 2.076367239e+02 1.30 1.908387392e+02 1.908387392e+02 1.32 1.753776910e+02 1.753776910e+02 1.34 1.611380648e+02 1.611380648e+02 1.36 1.480143743e+02 1.480143743e+02 1.38 1.359115410e+02 1.359115410e+02 1.40 1.247439463e+02 1.247439463e+02 1.42 1.144344537e+02 1.144344537e+02 1.44 1.049138506e+02 1.049138506e+02 1.46 9.612010601e+01 9.612010601e+01 1.48 8.799710621e+01 8.799710621e+01 1.50 8.049338129e+01 8.049338129e+01 1.52 7.356149055e+01 7.356149055e+01 1.54 6.715803791e+01 6.715803791e+01 1.56 6.124368521e+01 6.124368521e+01 1.58 5.578273084e+01 5.578273084e+01 1.60 5.074246332e+01 5.074246332e+01 1.62 4.609270269e+01 4.609270269e+01 1.64 4.180555432e+01 4.180555432e+01 1.66 3.785509726e+01 3.785509726e+01 1.68 3.421691441e+01 3.421691441e+01 1.70 3.086766264e+01 3.086766264e+01 1.72 2.778487536e+01 2.778487536e+01 1.74 2.494701753e+01 2.494701753e+01 1.76 2.233415036e+01 2.233415036e+01 1.78 1.992739627e+01 1.992739627e+01 1.80 1.770933727e+01 1.770933727e+01 1.82 1.566416367e+01 1.566416367e+01 1.84 1.377790229e+01 1.377790229e+01 1.86 1.203840068e+01 1.203840068e+01 1.88 1.043505670e+01 1.043505670e+01 1.90 8.958468285e+00 8.958468285e+00 1.92 7.600094693e+00 7.600094693e+00 1.94 6.352000203e+00 6.352000203e+00 1.96 5.206711458e+00 5.206711458e+00 1.98 4.157166108e+00 4.157166108e+00 2.00 3.196690968e+00 3.196690968e+00 2.02 2.318958805e+00 2.318958805e+00 2.04 1.517921184e+00 1.517921184e+00 2.06 7.877509614e-01 7.877509614e-01 2.08 1.228258689e-01 1.228258689e-01 2.10 -4.822410479e-01 -4.822410479e-01 2.12 -1.032541987e+00 -1.032541987e+00 2.14 -1.532810529e+00 -1.532810529e+00 2.16 -1.987372909e+00 -1.987372909e+00 2.18 -2.400127852e+00 -2.400127852e+00 2.20 -2.774561264e+00 -2.774561264e+00 2.22 -3.113793027e+00 -3.113793027e+00 2.24 -3.420641814e+00 -3.420641814e+00 2.26 -3.697689764e+00 -3.697689764e+00 2.28 -3.947334526e+00 -3.947334526e+00 2.30 -4.171824843e+00 -4.171824843e+00 2.32 -4.373231048e+00 -4.373231048e+00 2.34 -4.553501201e+00 -4.553501201e+00 2.36 -4.714614526e+00 -4.714614526e+00 2.38 -4.858342974e+00 -4.858342974e+00 2.40 -4.986220584e+00 -4.986220584e+00 2.42 -5.099542300e+00 -5.099542300e+00 2.44 -5.199390165e+00 -5.199390165e+00 2.46 -5.286659152e+00 -5.286659152e+00 2.48 -5.361912940e+00 -5.361912940e+00 2.50 -5.425571537e+00 -5.425571537e+00 2.52 -5.478089499e+00 -5.478089499e+00 2.54 -5.519946743e+00 -5.519946743e+00 2.56 -5.551634842e+00 -5.551634842e+00 2.58 -5.573645242e+00 -5.573645242e+00 2.60 -5.586467453e+00 -5.586467453e+00 2.62 -5.590635089e+00 -5.590635089e+00 2.64 -5.586572631e+00 -5.586572631e+00 2.66 -5.574688186e+00 -5.574688186e+00 2.68 -5.555414639e+00 -5.555414639e+00 2.70 -5.529213212e+00 -5.529213212e+00 2.72 -5.496570902e+00 -5.496570902e+00 2.74 -5.457992266e+00 -5.457992266e+00 2.76 -5.413924868e+00 -5.413924868e+00 2.78 -5.364674799e+00 -5.364674799e+00 2.80 -5.310533448e+00 -5.310533448e+00 2.82 -5.251783257e+00 -5.251783257e+00 2.84 -5.188692072e+00 -5.188692072e+00 2.86 -5.121507967e+00 -5.121507967e+00 2.88 -5.050322471e+00 -5.050322471e+00 2.90 -4.975146132e+00 -4.975146132e+00 2.92 -4.896068290e+00 -4.896068290e+00 2.94 -4.813260043e+00 -4.813260043e+00 2.96 -4.726969615e+00 -4.726969615e+00 2.98 -4.637515025e+00 -4.637515025e+00 3.00 -4.545273480e+00 -4.545273480e+00 3.02 -4.450666726e+00 -4.450666726e+00 3.04 -4.354141943e+00 -4.354141943e+00 3.06 -4.256149368e+00 -4.256149368e+00 3.08 -4.157118053e+00 -4.157118053e+00 3.10 -4.057434497e+00 -4.057434497e+00 3.12 -3.957426325e+00 -3.957426325e+00 3.14 -3.857353661e+00 -3.857353661e+00 3.16 -3.757407827e+00 -3.757407827e+00 3.18 -3.657716845e+00 -3.657716845e+00 3.20 -3.558355203e+00 -3.558355203e+00 3.22 -3.459356128e+00 -3.459356128e+00 3.24 -3.360724755e+00 -3.360724755e+00 3.26 -3.262451156e+00 -3.262451156e+00 3.28 -3.164522613e+00 -3.164522613e+00 3.30 -3.066934815e+00 -3.066934815e+00 3.32 -2.969701750e+00 -2.969701750e+00 3.34 -2.872864055e+00 -2.872864055e+00 3.36 -2.776495559e+00 -2.776495559e+00 3.38 -2.680707652e+00 -2.680707652e+00 3.40 -2.585651116e+00 -2.585651116e+00 3.42 -2.491515218e+00 -2.491515218e+00 3.44 -2.398523673e+00 -2.398523673e+00 3.46 -2.306927882e+00 -2.306927882e+00 3.48 -2.216997519e+00 -2.216997519e+00 3.50 -2.129009124e+00 -2.129009124e+00 3.52 -2.043233441e+00 -2.043233441e+00 3.54 -1.959922439e+00 -1.959922439e+00 3.56 -1.879297000e+00 -1.879297000e+00 3.58 -1.801536386e+00 -1.801536386e+00 3.60 -1.726770469e+00 -1.726770469e+00 3.62 -1.655075543e+00 -1.655075543e+00 3.64 -1.586474113e+00 -1.586474113e+00 3.66 -1.520938533e+00 -1.520938533e+00 3.68 -1.458397842e+00 -1.458397842e+00 3.70 -1.398746814e+00 -1.398746814e+00 3.72 -1.341856069e+00 -1.341856069e+00 3.74 -1.287582219e+00 -1.287582219e+00 3.76 -1.235777207e+00 -1.235777207e+00 3.78 -1.186296242e+00 -1.186296242e+00 3.80 -1.139003950e+00 -1.139003950e+00 3.82 -1.093778508e+00 -1.093778508e+00 3.84 -1.050513671e+00 -1.050513671e+00 3.86 -1.009118751e+00 -1.009118751e+00 3.88 -9.695167650e-01 -9.695167650e-01 3.90 -9.316411765e-01 -9.316411765e-01 3.92 -8.954317907e-01 -8.954317907e-01 3.94 -8.608306656e-01 -8.608306656e-01 3.96 -8.277782090e-01 -8.277782090e-01 3.98 -7.962106201e-01 -7.962106201e-01 4.00 -7.660584033e-01 -7.660584033e-01 4.02 -7.372461570e-01 -7.372461570e-01 4.04 -7.096933733e-01 -7.096933733e-01 4.06 -6.833159055e-01 -6.833159055e-01 4.08 -6.580277422e-01 -6.580277422e-01 4.10 -6.337427198e-01 -6.337427198e-01 4.12 -6.103763730e-01 -6.103763730e-01 4.14 -5.878467845e-01 -5.878467845e-01 4.16 -5.660758609e-01 -5.660758609e-01 4.18 -5.449899683e-01 -5.449899683e-01 4.20 -5.245204779e-01 -5.245204779e-01 4.22 -5.046042351e-01 -5.046042351e-01 4.24 -4.851840411e-01 -4.851840411e-01 4.26 -4.662092142e-01 -4.662092142e-01 4.28 -4.476362704e-01 -4.476362704e-01 4.30 -4.294297273e-01 -4.294297273e-01 4.32 -4.115629935e-01 -4.115629935e-01 4.34 -3.940192615e-01 -3.940192615e-01 4.36 -3.767922794e-01 -3.767922794e-01 4.38 -3.598868420e-01 -3.598868420e-01 4.40 -3.433188248e-01 -3.433188248e-01 4.42 -3.271145969e-01 -3.271145969e-01 4.44 -3.113096921e-01 -3.113096921e-01 4.46 -2.959467054e-01 -2.959467054e-01 4.48 -2.810724890e-01 -2.810724890e-01 4.50 -2.667348475e-01 -2.667348475e-01 4.52 -2.529790320e-01 -2.529790320e-01 4.54 -2.398443934e-01 -2.398443934e-01 4.56 -2.273615498e-01 -2.273615498e-01 4.58 -2.155503538e-01 -2.155503538e-01 4.60 -2.044188234e-01 -2.044188234e-01 4.62 -1.939630636e-01 -1.939630636e-01 4.64 -1.841680680e-01 -1.841680680e-01 4.66 -1.750092010e-01 -1.750092010e-01 4.68 -1.664541109e-01 -1.664541109e-01 4.70 -1.584648287e-01 -1.584648287e-01 4.72 -1.509998299e-01 -1.509998299e-01 4.74 -1.440156641e-01 -1.440156641e-01 4.76 -1.374692322e-01 -1.374692322e-01 4.78 -1.313187796e-01 -1.313187796e-01 4.80 -1.255246533e-01 -1.255246533e-01 4.82 -1.200502438e-01 -1.200502438e-01 4.84 -1.148622225e-01 -1.148622225e-01 4.86 -1.099310406e-01 -1.099310406e-01 4.88 -1.052310263e-01 -1.052310263e-01 4.90 -1.007404051e-01 -1.007404051e-01 4.92 -9.644121359e-02 -9.644121359e-02 4.94 -9.231911675e-02 -9.231911675e-02 4.96 -8.836313202e-02 -8.836313202e-02 4.98 -8.456526069e-02 -8.456526069e-02 5.00 -8.092003204e-02 -8.092003204e-02 5.02 -7.742397296e-02 -7.742397296e-02 5.04 -7.407502641e-02 -7.407502641e-02 5.06 -7.087195355e-02 -7.087195355e-02 5.08 -6.781375597e-02 -6.781375597e-02 5.10 -6.489903116e-02 -6.489903116e-02 5.12 -6.212588939e-02 -6.212588939e-02 5.14 -5.949157858e-02 -5.949157858e-02 5.16 -5.699223941e-02 -5.699223941e-02 5.18 -5.462290009e-02 -5.462290009e-02 5.20 -5.237757553e-02 -5.237757553e-02 5.22 -5.024944031e-02 -5.024944031e-02 5.24 -4.823104328e-02 -4.823104328e-02 5.26 -4.631453398e-02 -4.631453398e-02 5.28 -4.449187787e-02 -4.449187787e-02 5.30 -4.275504455e-02 -4.275504455e-02 5.32 -4.109616075e-02 -4.109616075e-02 5.34 -3.950762576e-02 -3.950762576e-02 5.36 -3.798219190e-02 -3.798219190e-02 5.38 -3.651301501e-02 -3.651301501e-02 5.40 -3.509368168e-02 -3.509368168e-02 5.42 -3.371822021e-02 -3.371822021e-02 5.44 -3.238110189e-02 -3.238110189e-02 5.46 -3.107723847e-02 -3.107723847e-02 5.48 -2.980198084e-02 -2.980198084e-02 5.50 -2.855112264e-02 -2.855112264e-02 5.52 -2.732091167e-02 -2.732091167e-02 5.54 -2.610807081e-02 -2.610807081e-02 5.56 -2.490982847e-02 -2.490982847e-02 5.58 -2.372395842e-02 -2.372395842e-02 5.60 -2.254882657e-02 -2.254882657e-02 5.62 -2.138344094e-02 -2.138344094e-02 5.64 -2.022749977e-02 -2.022749977e-02 5.66 -1.908143150e-02 -1.908143150e-02 5.68 -1.794641898e-02 -1.794641898e-02 5.70 -1.682440035e-02 -1.682440035e-02 5.72 -1.571803925e-02 -1.571803925e-02 5.74 -1.463065862e-02 -1.463065862e-02 5.76 -1.356613283e-02 -1.356613283e-02 5.78 -1.252861141e-02 -1.252861141e-02 5.80 -1.152258738e-02 -1.152258738e-02 5.82 -1.055267974e-02 -1.055267974e-02 5.84 -9.623321473e-03 -9.623321473e-03 5.86 -8.738553445e-03 -8.738553445e-03 5.88 -7.901840423e-03 -7.901840423e-03 5.90 -7.115923349e-03 -7.115923349e-03 5.92 -6.382718097e-03 -6.382718097e-03 5.94 -5.703265883e-03 -5.703265883e-03 5.96 -5.077735064e-03 -5.077735064e-03 5.98 -4.505469151e-03 -4.505469151e-03 6.00 -3.985072181e-03 -3.985072181e-03