# 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 = Mg2TaTi # 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 4.229190002e+02 4.229190002e+02 1.30 3.923570061e+02 3.923570061e+02 1.32 3.640608363e+02 3.640608363e+02 1.34 3.378466126e+02 3.378466126e+02 1.36 3.135490667e+02 3.135490667e+02 1.38 2.910198040e+02 2.910198040e+02 1.40 2.701245703e+02 2.701245703e+02 1.42 2.507405310e+02 2.507405310e+02 1.44 2.327542795e+02 2.327542795e+02 1.46 2.160605188e+02 2.160605188e+02 1.48 2.005610146e+02 2.005610146e+02 1.50 1.861638221e+02 1.861638221e+02 1.52 1.727830668e+02 1.727830668e+02 1.54 1.603392756e+02 1.603392756e+02 1.56 1.487599325e+02 1.487599325e+02 1.58 1.379797593e+02 1.379797593e+02 1.60 1.279403754e+02 1.279403754e+02 1.62 1.185894031e+02 1.185894031e+02 1.64 1.098793765e+02 1.098793765e+02 1.66 1.017667359e+02 1.017667359e+02 1.68 9.421104883e+01 9.421104883e+01 1.70 8.717452697e+01 8.717452697e+01 1.72 8.062181723e+01 8.062181723e+01 1.74 7.452169042e+01 7.452169042e+01 1.76 6.884712116e+01 6.884712116e+01 1.78 6.356954874e+01 6.356954874e+01 1.80 5.866229242e+01 5.866229242e+01 1.82 5.410044298e+01 5.410044298e+01 1.84 4.986047973e+01 4.986047973e+01 1.86 4.592056713e+01 4.592056713e+01 1.88 4.226036835e+01 4.226036835e+01 1.90 3.886073699e+01 3.886073699e+01 1.92 3.570355895e+01 3.570355895e+01 1.94 3.277163642e+01 3.277163642e+01 1.96 3.004864850e+01 3.004864850e+01 1.98 2.751918817e+01 2.751918817e+01 2.00 2.516883374e+01 2.516883374e+01 2.02 2.298421166e+01 2.298421166e+01 2.04 2.095303653e+01 2.095303653e+01 2.06 1.906412632e+01 1.906412632e+01 2.08 1.730738438e+01 1.730738438e+01 2.10 1.567374029e+01 1.567374029e+01 2.12 1.415504489e+01 1.415504489e+01 2.14 1.274393424e+01 1.274393424e+01 2.16 1.143368656e+01 1.143368656e+01 2.18 1.021808921e+01 1.021808921e+01 2.20 9.091328564e+00 9.091328564e+00 2.22 8.047899202e+00 8.047899202e+00 2.24 7.082536278e+00 7.082536278e+00 2.26 6.190169921e+00 6.190169921e+00 2.28 5.365899582e+00 5.365899582e+00 2.30 4.604993088e+00 4.604993088e+00 2.32 3.902895667e+00 3.902895667e+00 2.34 3.255258070e+00 3.255258070e+00 2.36 2.657965811e+00 2.657965811e+00 2.38 2.107182922e+00 2.107182922e+00 2.40 1.599481901e+00 1.599481901e+00 2.42 1.131454054e+00 1.131454054e+00 2.44 6.999473683e-01 6.999473683e-01 2.46 3.021391142e-01 3.021391142e-01 2.48 -6.449663695e-02 -6.449663695e-02 2.50 -4.022267519e-01 -4.022267519e-01 2.52 -7.130452105e-01 -7.130452105e-01 2.54 -9.985221029e-01 -9.985221029e-01 2.56 -1.260093071e+00 -1.260093071e+00 2.58 -1.499155531e+00 -1.499155531e+00 2.60 -1.717055913e+00 -1.717055913e+00 2.62 -1.915086212e+00 -1.915086212e+00 2.64 -2.094528634e+00 -2.094528634e+00 2.66 -2.256525035e+00 -2.256525035e+00 2.68 -2.402140050e+00 -2.402140050e+00 2.70 -2.532395327e+00 -2.532395327e+00 2.72 -2.648267674e+00 -2.648267674e+00 2.74 -2.750687242e+00 -2.750687242e+00 2.76 -2.840536095e+00 -2.840536095e+00 2.78 -2.918646941e+00 -2.918646941e+00 2.80 -2.985760727e+00 -2.985760727e+00 2.82 -3.042499833e+00 -3.042499833e+00 2.84 -3.089461310e+00 -3.089461310e+00 2.86 -3.127227809e+00 -3.127227809e+00 2.88 -3.156368579e+00 -3.156368579e+00 2.90 -3.177439843e+00 -3.177439843e+00 2.92 -3.190983829e+00 -3.190983829e+00 2.94 -3.197526490e+00 -3.197526490e+00 2.96 -3.197574569e+00 -3.197574569e+00 2.98 -3.191612834e+00 -3.191612834e+00 3.00 -3.180101869e+00 -3.180101869e+00 3.02 -3.163476114e+00 -3.163476114e+00 3.04 -3.142141303e+00 -3.142141303e+00 3.06 -3.116473105e+00 -3.116473105e+00 3.08 -3.086812778e+00 -3.086812778e+00 3.10 -3.053468138e+00 -3.053468138e+00 3.12 -3.016715116e+00 -3.016715116e+00 3.14 -2.976805472e+00 -2.976805472e+00 3.16 -2.933972218e+00 -2.933972218e+00 3.18 -2.888441907e+00 -2.888441907e+00 3.20 -2.840444225e+00 -2.840444225e+00 3.22 -2.790221074e+00 -2.790221074e+00 3.24 -2.738033460e+00 -2.738033460e+00 3.26 -2.684165310e+00 -2.684165310e+00 3.28 -2.628923449e+00 -2.628923449e+00 3.30 -2.572633360e+00 -2.572633360e+00 3.32 -2.515630886e+00 -2.515630886e+00 3.34 -2.458250805e+00 -2.458250805e+00 3.36 -2.400813843e+00 -2.400813843e+00 3.38 -2.343614091e+00 -2.343614091e+00 3.40 -2.286908578e+00 -2.286908578e+00 3.42 -2.230910803e+00 -2.230910803e+00 3.44 -2.175787525e+00 -2.175787525e+00 3.46 -2.121660361e+00 -2.121660361e+00 3.48 -2.068610023e+00 -2.068610023e+00 3.50 -2.016685925e+00 -2.016685925e+00 3.52 -1.965943637e+00 -1.965943637e+00 3.54 -1.916356816e+00 -1.916356816e+00 3.56 -1.867868969e+00 -1.867868969e+00 3.58 -1.820416920e+00 -1.820416920e+00 3.60 -1.773933091e+00 -1.773933091e+00 3.62 -1.728347407e+00 -1.728347407e+00 3.64 -1.683589483e+00 -1.683589483e+00 3.66 -1.639574440e+00 -1.639574440e+00 3.68 -1.596132871e+00 -1.596132871e+00 3.70 -1.553083739e+00 -1.553083739e+00 3.72 -1.510274791e+00 -1.510274791e+00 3.74 -1.467587318e+00 -1.467587318e+00 3.76 -1.424940451e+00 -1.424940451e+00 3.78 -1.382294204e+00 -1.382294204e+00 3.80 -1.339650746e+00 -1.339650746e+00 3.82 -1.297053486e+00 -1.297053486e+00 3.84 -1.254583783e+00 -1.254583783e+00 3.86 -1.212355307e+00 -1.212355307e+00 3.88 -1.170506368e+00 -1.170506368e+00 3.90 -1.129190802e+00 -1.129190802e+00 3.92 -1.088568030e+00 -1.088568030e+00 3.94 -1.048794303e+00 -1.048794303e+00 3.96 -1.010013076e+00 -1.010013076e+00 3.98 -9.723491681e-01 -9.723491681e-01 4.00 -9.359039759e-01 -9.359039759e-01 4.02 -9.007531195e-01 -9.007531195e-01 4.04 -8.669461162e-01 -8.669461162e-01 4.06 -8.345077162e-01 -8.345077162e-01 4.08 -8.034404443e-01 -8.034404443e-01 4.10 -7.737271237e-01 -7.737271237e-01 4.12 -7.453376613e-01 -7.453376613e-01 4.14 -7.182276089e-01 -7.182276089e-01 4.16 -6.923450649e-01 -6.923450649e-01 4.18 -6.676326771e-01 -6.676326771e-01 4.20 -6.440301288e-01 -6.440301288e-01 4.22 -6.214761443e-01 -6.214761443e-01 4.24 -5.999100392e-01 -5.999100392e-01 4.26 -5.792728646e-01 -5.792728646e-01 4.28 -5.595082053e-01 -5.595082053e-01 4.30 -5.405626938e-01 -5.405626938e-01 4.32 -5.223862998e-01 -5.223862998e-01 4.34 -5.049324474e-01 -5.049324474e-01 4.36 -4.881580032e-01 -4.881580032e-01 4.38 -4.720231729e-01 -4.720231729e-01 4.40 -4.564913333e-01 -4.564913333e-01 4.42 -4.415288229e-01 -4.415288229e-01 4.44 -4.271047078e-01 -4.271047078e-01 4.46 -4.131905360e-01 -4.131905360e-01 4.48 -3.997600898e-01 -3.997600898e-01 4.50 -3.867891448e-01 -3.867891448e-01 4.52 -3.742552398e-01 -3.742552398e-01 4.54 -3.621374634e-01 -3.621374634e-01 4.56 -3.504162594e-01 -3.504162594e-01 4.58 -3.390732534e-01 -3.390732534e-01 4.60 -3.280911023e-01 -3.280911023e-01 4.62 -3.174533660e-01 -3.174533660e-01 4.64 -3.071444037e-01 -3.071444037e-01 4.66 -2.971492921e-01 -2.971492921e-01 4.68 -2.874537678e-01 -2.874537678e-01 4.70 -2.780441912e-01 -2.780441912e-01 4.72 -2.689075338e-01 -2.689075338e-01 4.74 -2.600313872e-01 -2.600313872e-01 4.76 -2.514039940e-01 -2.514039940e-01 4.78 -2.430143013e-01 -2.430143013e-01 4.80 -2.348516139e-01 -2.348516139e-01 4.82 -2.269074397e-01 -2.269074397e-01 4.84 -2.191728433e-01 -2.191728433e-01 4.86 -2.116404887e-01 -2.116404887e-01 4.88 -2.043042410e-01 -2.043042410e-01 4.90 -1.971592619e-01 -1.971592619e-01 4.92 -1.902020703e-01 -1.902020703e-01 4.94 -1.834305506e-01 -1.834305506e-01 4.96 -1.768438904e-01 -1.768438904e-01 4.98 -1.704424325e-01 -1.704424325e-01 5.00 -1.642274375e-01 -1.642274375e-01 5.02 -1.582007615e-01 -1.582007615e-01 5.04 -1.523644702e-01 -1.523644702e-01 5.06 -1.467204195e-01 -1.467204195e-01 5.08 -1.412698441e-01 -1.412698441e-01 5.10 -1.360129962e-01 -1.360129962e-01 5.12 -1.309488698e-01 -1.309488698e-01 5.14 -1.260750366e-01 -1.260750366e-01 5.16 -1.213876013e-01 -1.213876013e-01 5.18 -1.168812716e-01 -1.168812716e-01 5.20 -1.125495211e-01 -1.125495211e-01 5.22 -1.083848198e-01 -1.083848198e-01 5.24 -1.043788987e-01 -1.043788987e-01 5.26 -1.005230253e-01 -1.005230253e-01 5.28 -9.680826501e-02 -9.680826501e-02 5.30 -9.322571135e-02 -9.322571135e-02 5.32 -8.976667802e-02 -8.976667802e-02 5.34 -8.642284708e-02 -8.642284708e-02 5.36 -8.318637426e-02 -8.318637426e-02 5.38 -8.004995369e-02 -8.004995369e-02 5.40 -7.700684676e-02 -7.700684676e-02 5.42 -7.405088153e-02 -7.405088153e-02 5.44 -7.117642721e-02 -7.117642721e-02 5.46 -6.837835275e-02 -6.837835275e-02 5.48 -6.565197712e-02 -6.565197712e-02 5.50 -6.299302003e-02 -6.299302003e-02 5.52 -6.039756161e-02 -6.039756161e-02 5.54 -5.786201897e-02 -5.786201897e-02 5.56 -5.538314734e-02 -5.538314734e-02 5.58 -5.295806396e-02 -5.295806396e-02 5.60 -5.058429537e-02 -5.058429537e-02 5.62 -4.825985371e-02 -4.825985371e-02 5.64 -4.598332269e-02 -4.598332269e-02 5.66 -4.375394564e-02 -4.375394564e-02 5.68 -4.157170239e-02 -4.157170239e-02 5.70 -3.943736083e-02 -3.943736083e-02 5.72 -3.735249016e-02 -3.735249016e-02 5.74 -3.531942535e-02 -3.531942535e-02 5.76 -3.334114563e-02 -3.334114563e-02 5.78 -3.142082631e-02 -3.142082631e-02 5.80 -2.956182029e-02 -2.956182029e-02 5.82 -2.776844681e-02 -2.776844681e-02 5.84 -2.604485492e-02 -2.604485492e-02 5.86 -2.439474429e-02 -2.439474429e-02 5.88 -2.282113860e-02 -2.282113860e-02 5.90 -2.132620331e-02 -2.132620331e-02 5.92 -1.991112188e-02 -1.991112188e-02 5.94 -1.857603796e-02 -1.857603796e-02 5.96 -1.732006338e-02 -1.732006338e-02 5.98 -1.614134579e-02 -1.614134579e-02 6.00 -1.503718466e-02 -1.503718466e-02