# 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 = Mo2NiTi # 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 2.382507931e+02 2.382507931e+02 1.30 2.199644767e+02 2.199644767e+02 1.32 2.030908619e+02 2.030908619e+02 1.34 1.875053460e+02 1.875053460e+02 1.36 1.730928784e+02 1.730928784e+02 1.38 1.597493602e+02 1.597493602e+02 1.40 1.473822086e+02 1.473822086e+02 1.42 1.359100827e+02 1.359100827e+02 1.44 1.252620024e+02 1.252620024e+02 1.46 1.153759282e+02 1.153759282e+02 1.48 1.061969851e+02 1.061969851e+02 1.50 9.767583465e+01 9.767583465e+01 1.52 8.976761743e+01 8.976761743e+01 1.54 8.243140448e+01 8.243140448e+01 1.56 7.562976547e+01 7.562976547e+01 1.58 6.932815957e+01 6.932815957e+01 1.60 6.349421535e+01 6.349421535e+01 1.62 5.809715056e+01 5.809715056e+01 1.64 5.310741461e+01 5.310741461e+01 1.66 4.849644276e+01 4.849644276e+01 1.68 4.423647702e+01 4.423647702e+01 1.70 4.030054331e+01 4.030054331e+01 1.72 3.666263454e+01 3.666263454e+01 1.74 3.329801389e+01 3.329801389e+01 1.76 3.018350165e+01 3.018350165e+01 1.78 2.729768886e+01 2.729768886e+01 1.80 2.462383838e+01 2.462383838e+01 1.82 2.214746939e+01 2.214746939e+01 1.84 1.985289792e+01 1.985289792e+01 1.86 1.772655662e+01 1.772655662e+01 1.88 1.575676866e+01 1.575676866e+01 1.90 1.393336327e+01 1.393336327e+01 1.92 1.224724709e+01 1.224724709e+01 1.94 1.069003057e+01 1.069003057e+01 1.96 9.253772703e+00 9.253772703e+00 1.98 7.930845799e+00 7.930845799e+00 2.00 6.713869969e+00 6.713869969e+00 2.02 5.595664543e+00 5.595664543e+00 2.04 4.569201711e+00 4.569201711e+00 2.06 3.627582875e+00 3.627582875e+00 2.08 2.764062321e+00 2.764062321e+00 2.10 1.972122440e+00 1.972122440e+00 2.12 1.245581203e+00 1.245581203e+00 2.14 5.787021255e-01 5.787021255e-01 2.16 -3.372034979e-02 -3.372034979e-02 2.18 -5.963194891e-01 -5.963194891e-01 2.20 -1.113166919e+00 -1.113166919e+00 2.22 -1.587830109e+00 -1.587830109e+00 2.24 -2.023458211e+00 -2.023458211e+00 2.26 -2.422873253e+00 -2.422873253e+00 2.28 -2.788648908e+00 -2.788648908e+00 2.30 -3.123168334e+00 -3.123168334e+00 2.32 -3.428660880e+00 -3.428660880e+00 2.34 -3.707216834e+00 -3.707216834e+00 2.36 -3.960784018e+00 -3.960784018e+00 2.38 -4.191153350e+00 -4.191153350e+00 2.40 -4.399946105e+00 -4.399946105e+00 2.42 -4.588613063e+00 -4.588613063e+00 2.44 -4.758447737e+00 -4.758447737e+00 2.46 -4.910608791e+00 -4.910608791e+00 2.48 -5.046143450e+00 -5.046143450e+00 2.50 -5.166005907e+00 -5.166005907e+00 2.52 -5.271068533e+00 -5.271068533e+00 2.54 -5.362127215e+00 -5.362127215e+00 2.56 -5.439753956e+00 -5.439753956e+00 2.58 -5.504515666e+00 -5.504515666e+00 2.60 -5.557253212e+00 -5.557253212e+00 2.62 -5.598721909e+00 -5.598721909e+00 2.64 -5.629609345e+00 -5.629609345e+00 2.66 -5.650558168e+00 -5.650558168e+00 2.68 -5.662187328e+00 -5.662187328e+00 2.70 -5.665121937e+00 -5.665121937e+00 2.72 -5.659953794e+00 -5.659953794e+00 2.74 -5.646818136e+00 -5.646818136e+00 2.76 -5.625768600e+00 -5.625768600e+00 2.78 -5.596937535e+00 -5.596937535e+00 2.80 -5.560516634e+00 -5.560516634e+00 2.82 -5.516742737e+00 -5.516742737e+00 2.84 -5.465891728e+00 -5.465891728e+00 2.86 -5.408279862e+00 -5.408279862e+00 2.88 -5.344240087e+00 -5.344240087e+00 2.90 -5.274023023e+00 -5.274023023e+00 2.92 -5.197889526e+00 -5.197889526e+00 2.94 -5.116209034e+00 -5.116209034e+00 2.96 -5.029454317e+00 -5.029454317e+00 2.98 -4.938184891e+00 -4.938184891e+00 3.00 -4.843023247e+00 -4.843023247e+00 3.02 -4.744624105e+00 -4.744624105e+00 3.04 -4.643638223e+00 -4.643638223e+00 3.06 -4.540674310e+00 -4.540674310e+00 3.08 -4.436263567e+00 -4.436263567e+00 3.10 -4.330832931e+00 -4.330832931e+00 3.12 -4.224690602e+00 -4.224690602e+00 3.14 -4.118025781e+00 -4.118025781e+00 3.16 -4.010920058e+00 -4.010920058e+00 3.18 -3.903368020e+00 -3.903368020e+00 3.20 -3.795301983e+00 -3.795301983e+00 3.22 -3.686617840e+00 -3.686617840e+00 3.24 -3.577199820e+00 -3.577199820e+00 3.26 -3.466943162e+00 -3.466943162e+00 3.28 -3.355774380e+00 -3.355774380e+00 3.30 -3.243669088e+00 -3.243669088e+00 3.32 -3.130667174e+00 -3.130667174e+00 3.34 -3.016884879e+00 -3.016884879e+00 3.36 -2.902522977e+00 -2.902522977e+00 3.38 -2.787870146e+00 -2.787870146e+00 3.40 -2.673300597e+00 -2.673300597e+00 3.42 -2.559265529e+00 -2.559265529e+00 3.44 -2.446278189e+00 -2.446278189e+00 3.46 -2.334893606e+00 -2.334893606e+00 3.48 -2.225684205e+00 -2.225684205e+00 3.50 -2.119213388e+00 -2.119213388e+00 3.52 -2.016009298e+00 -2.016009298e+00 3.54 -1.916540934e+00 -1.916540934e+00 3.56 -1.821198478e+00 -1.821198478e+00 3.58 -1.730279226e+00 -1.730279226e+00 3.60 -1.643979993e+00 -1.643979993e+00 3.62 -1.562396225e+00 -1.562396225e+00 3.64 -1.485527456e+00 -1.485527456e+00 3.66 -1.413288083e+00 -1.413288083e+00 3.68 -1.345521955e+00 -1.345521955e+00 3.70 -1.282019040e+00 -1.282019040e+00 3.72 -1.222532441e+00 -1.222532441e+00 3.74 -1.166794378e+00 -1.166794378e+00 3.76 -1.114530127e+00 -1.114530127e+00 3.78 -1.065469378e+00 -1.065469378e+00 3.80 -1.019354762e+00 -1.019354762e+00 3.82 -9.759476206e-01 -9.759476206e-01 3.84 -9.350311788e-01 -9.350311788e-01 3.86 -8.964114387e-01 -8.964114387e-01 3.88 -8.599162021e-01 -8.599162021e-01 3.90 -8.253927023e-01 -8.253927023e-01 3.92 -7.927043791e-01 -7.927043791e-01 3.94 -7.617275028e-01 -7.617275028e-01 3.96 -7.323477788e-01 -7.323477788e-01 3.98 -7.044578182e-01 -7.044578182e-01 4.00 -6.779552684e-01 -6.779552684e-01 4.02 -6.527417812e-01 -6.527417812e-01 4.04 -6.287226622e-01 -6.287226622e-01 4.06 -6.058069941e-01 -6.058069941e-01 4.08 -5.839080110e-01 -5.839080110e-01 4.10 -5.629434542e-01 -5.629434542e-01 4.12 -5.428362943e-01 -5.428362943e-01 4.14 -5.235144026e-01 -5.235144026e-01 4.16 -5.049108147e-01 -5.049108147e-01 4.18 -4.869644244e-01 -4.869644244e-01 4.20 -4.696193538e-01 -4.696193538e-01 4.22 -4.528247871e-01 -4.528247871e-01 4.24 -4.365349833e-01 -4.365349833e-01 4.26 -4.207093260e-01 -4.207093260e-01 4.28 -4.053124429e-01 -4.053124429e-01 4.30 -3.903144026e-01 -3.903144026e-01 4.32 -3.756909750e-01 -3.756909750e-01 4.34 -3.614239113e-01 -3.614239113e-01 4.36 -3.475011837e-01 -3.475011837e-01 4.38 -3.339171003e-01 -3.339171003e-01 4.40 -3.206722065e-01 -3.206722065e-01 4.42 -3.077728887e-01 -3.077728887e-01 4.44 -2.952306173e-01 -2.952306173e-01 4.46 -2.830608122e-01 -2.830608122e-01 4.48 -2.712813678e-01 -2.712813678e-01 4.50 -2.599109356e-01 -2.599109356e-01 4.52 -2.489671167e-01 -2.489671167e-01 4.54 -2.384647428e-01 -2.384647428e-01 4.56 -2.284144237e-01 -2.284144237e-01 4.58 -2.188215046e-01 -2.188215046e-01 4.60 -2.096855128e-01 -2.096855128e-01 4.62 -2.010001076e-01 -2.010001076e-01 4.64 -1.927534755e-01 -1.927534755e-01 4.66 -1.849290720e-01 -1.849290720e-01 4.68 -1.775065819e-01 -1.775065819e-01 4.70 -1.704629760e-01 -1.704629760e-01 4.72 -1.637735572e-01 -1.637735572e-01 4.74 -1.574129202e-01 -1.574129202e-01 4.76 -1.513557768e-01 -1.513557768e-01 4.78 -1.455776304e-01 -1.455776304e-01 4.80 -1.400552566e-01 -1.400552566e-01 4.82 -1.347672665e-01 -1.347672665e-01 4.84 -1.296941052e-01 -1.296941052e-01 4.86 -1.248184224e-01 -1.248184224e-01 4.88 -1.201251238e-01 -1.201251238e-01 4.90 -1.156014077e-01 -1.156014077e-01 4.92 -1.112367402e-01 -1.112367402e-01 4.94 -1.070227691e-01 -1.070227691e-01 4.96 -1.029531716e-01 -1.029531716e-01 4.98 -9.902343509e-02 -9.902343509e-02 5.00 -9.523056844e-02 -9.523056844e-02 5.02 -9.157275466e-02 -9.157275466e-02 5.04 -8.804895985e-02 -8.804895985e-02 5.06 -8.465852484e-02 -8.465852484e-02 5.08 -8.140072151e-02 -8.140072151e-02 5.10 -7.827438391e-02 -7.827438391e-02 5.12 -7.527790400e-02 -7.527790400e-02 5.14 -7.240883387e-02 -7.240883387e-02 5.16 -6.966378490e-02 -6.966378490e-02 5.18 -6.703843772e-02 -6.703843772e-02 5.20 -6.452762849e-02 -6.452762849e-02 5.22 -6.212548879e-02 -6.212548879e-02 5.24 -5.982561496e-02 -5.982561496e-02 5.26 -5.762124498e-02 -5.762124498e-02 5.28 -5.550542579e-02 -5.550542579e-02 5.30 -5.347115954e-02 -5.347115954e-02 5.32 -5.151152256e-02 -5.151152256e-02 5.34 -4.961975711e-02 -4.961975711e-02 5.36 -4.778933685e-02 -4.778933685e-02 5.38 -4.601401000e-02 -4.601401000e-02 5.40 -4.428782680e-02 -4.428782680e-02 5.42 -4.260515663e-02 -4.260515663e-02 5.44 -4.096070024e-02 -4.096070024e-02 5.46 -3.934950210e-02 -3.934950210e-02 5.48 -3.776696696e-02 -3.776696696e-02 5.50 -3.620888413e-02 -3.620888413e-02 5.52 -3.467146176e-02 -3.467146176e-02 5.54 -3.315137302e-02 -3.315137302e-02 5.56 -3.164581117e-02 -3.164581117e-02 5.58 -3.015255739e-02 -3.015255739e-02 5.60 -2.867005553e-02 -2.867005553e-02 5.62 -2.719748894e-02 -2.719748894e-02 5.64 -2.573485333e-02 -2.573485333e-02 5.66 -2.428301772e-02 -2.428301772e-02 5.68 -2.284376407e-02 -2.284376407e-02 5.70 -2.141979582e-02 -2.141979582e-02 5.72 -2.001470630e-02 -2.001470630e-02 5.74 -1.863289978e-02 -1.863289978e-02 5.76 -1.727945877e-02 -1.727945877e-02 5.78 -1.595980962e-02 -1.595980962e-02 5.80 -1.467978728e-02 -1.467978728e-02 5.82 -1.344536297e-02 -1.344536297e-02 5.84 -1.226225832e-02 -1.226225832e-02 5.86 -1.113568469e-02 -1.113568469e-02 5.88 -1.007011024e-02 -1.007011024e-02 5.90 -9.069072956e-03 -9.069072956e-03 5.92 -8.135052677e-03 -8.135052677e-03 5.94 -7.269408758e-03 -7.269408758e-03 5.96 -6.472383072e-03 -6.472383072e-03 5.98 -5.743161826e-03 -5.743161826e-03 6.00 -5.079984899e-03 -5.079984899e-03