# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = AlTi3 # 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 5.176611671e+02 nan nan 0.92 4.748609035e+02 nan nan 0.94 4.354850049e+02 nan nan 0.96 3.994146079e+02 nan nan 0.98 3.664763748e+02 5.085687370e+02 nan 1.00 3.364655427e+02 4.708762005e+02 nan 1.02 3.091623942e+02 4.362598118e+02 4.671380062e+02 1.04 2.843437946e+02 4.044774511e+02 4.341144317e+02 1.06 2.617910947e+02 3.752981085e+02 4.038066040e+02 1.08 2.412109416e+02 3.482791303e+02 3.756247762e+02 1.10 2.222920616e+02 3.229103975e+02 3.488826649e+02 1.12 2.049291525e+02 2.992139407e+02 3.236832220e+02 1.14 1.890154302e+02 2.775004132e+02 3.000834731e+02 1.16 1.744980208e+02 2.577475427e+02 2.780902254e+02 1.18 1.619361512e+02 2.397154073e+02 2.576740488e+02 1.20 1.511225123e+02 2.231971913e+02 2.387801440e+02 1.22 1.416554098e+02 2.080155574e+02 2.213367292e+02 1.24 1.332200874e+02 1.940189948e+02 2.052614474e+02 1.26 1.255732452e+02 1.810783386e+02 1.904662139e+02 1.28 1.185297414e+02 1.690836154e+02 1.768609258e+02 1.30 1.119512329e+02 1.580158398e+02 1.644681589e+02 1.32 1.057365725e+02 1.481509206e+02 1.537347748e+02 1.34 9.981376835e+01 1.393120205e+02 1.444151255e+02 1.36 9.413332151e+01 1.312944400e+02 1.362121226e+02 1.38 8.866276234e+01 1.239361139e+02 1.288859428e+02 1.40 8.338221947e+01 1.171101486e+02 1.222451408e+02 1.42 7.828086895e+01 1.107183570e+02 1.161387202e+02 1.44 7.335412678e+01 1.046857582e+02 1.104492049e+02 1.46 6.860146361e+01 9.895594058e+01 1.050866486e+02 1.48 6.402473446e+01 9.348717664e+01 9.998348260e+01 1.50 5.962693087e+01 8.824919642e+01 9.509012517e+01 1.52 5.541127531e+01 8.322053268e+01 9.037127124e+01 1.54 5.138058990e+01 7.838635234e+01 8.580277730e+01 1.56 4.753688136e+01 7.373670582e+01 8.136907288e+01 1.58 4.388109445e+01 6.926512910e+01 7.706102863e+01 1.60 4.041299325e+01 6.496754018e+01 7.287421639e+01 1.62 3.713113780e+01 6.084138297e+01 6.880750534e+01 1.64 3.403292927e+01 5.688497393e+01 6.486193915e+01 1.66 3.111470206e+01 5.309701517e+01 6.103986091e+01 1.68 2.837184614e+01 4.947624264e+01 5.734424367e+01 1.70 2.579894623e+01 4.602118211e+01 5.377818794e+01 1.72 2.338992784e+01 4.272999084e+01 5.034455669e+01 1.74 2.113820265e+01 3.960036579e+01 4.704572175e+01 1.76 1.903680787e+01 3.662950277e+01 4.388339953e+01 1.78 1.707853578e+01 3.381409377e+01 4.085855735e+01 1.80 1.525605124e+01 3.115035177e+01 3.797137444e+01 1.82 1.356199573e+01 2.863405480e+01 3.522124465e+01 1.84 1.198907744e+01 2.626060229e+01 3.260680966e+01 1.86 1.053014760e+01 2.402507851e+01 3.012601391e+01 1.88 9.178263397e+00 2.192231911e+01 2.777617408e+01 1.90 7.926735991e+00 1.994697741e+01 2.555405704e+01 1.92 6.769146929e+00 1.809358841e+01 2.345596199e+01 1.94 5.699359620e+00 1.635662875e+01 2.147780317e+01 1.96 4.711542291e+00 1.473057157e+01 1.961519040e+01 1.98 3.800184348e+00 1.320993567e+01 1.786350569e+01 2.00 2.960105620e+00 1.178932834e+01 1.621797442e+01 2.02 2.186459577e+00 1.046347263e+01 1.467373029e+01 2.04 1.474731510e+00 9.227209339e+00 1.322587358e+01 2.06 8.207325724e-01 8.075513315e+00 1.186952248e+01 2.08 2.205835480e-01 7.003515454e+00 1.059985761e+01 2.10 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-4.634140494e+00 -3.263144505e+00 -2.265591314e+00 2.48 -4.681384172e+00 -3.464641526e+00 -2.553430371e+00 2.50 -4.717194840e+00 -3.645776079e+00 -2.816827801e+00 2.52 -4.742472304e+00 -3.807888053e+00 -3.057257066e+00 2.54 -4.758057732e+00 -3.952238605e+00 -3.276111550e+00 2.56 -4.764737207e+00 -4.080014592e+00 -3.474708721e+00 2.58 -4.763245070e+00 -4.192332753e+00 -3.654294091e+00 2.60 -4.754267070e+00 -4.290243668e+00 -3.816044971e+00 2.62 -4.738443326e+00 -4.374735491e+00 -3.961074032e+00 2.64 -4.716371119e+00 -4.446737476e+00 -4.090432692e+00 2.66 -4.688607514e+00 -4.507123316e+00 -4.205114324e+00 2.68 -4.655671828e+00 -4.556714282e+00 -4.306057299e+00 2.70 -4.618047958e+00 -4.596282204e+00 -4.394147878e+00 2.72 -4.576186563e+00 -4.626552274e+00 -4.470222955e+00 2.74 -4.530507123e+00 -4.648205698e+00 -4.535072655e+00 2.76 -4.481399870e+00 -4.661882202e+00 -4.589442806e+00 2.78 -4.429227613e+00 -4.668182394e+00 -4.634037277e+00 2.80 -4.374327443e+00 -4.667670001e+00 -4.669520200e+00 2.82 -4.317012346e+00 -4.660873976e+00 -4.696518078e+00 2.84 -4.257579048e+00 -4.648290485e+00 -4.715621781e+00 2.86 -4.196649583e+00 -4.630384793e+00 -4.727388443e+00 2.88 -4.135289214e+00 -4.607593039e+00 -4.732343259e+00 2.90 -4.071285219e+00 -4.580323904e+00 -4.730981190e+00 2.92 -4.005775416e+00 -4.548960203e+00 -4.723768579e+00 2.94 -3.939303509e+00 -4.513860372e+00 -4.711144683e+00 2.96 -3.872051306e+00 -4.475359879e+00 -4.693523130e+00 2.98 -3.804186357e+00 -4.433772558e+00 -4.671293292e+00 3.00 -3.735862875e+00 -4.389391860e+00 -4.644821598e+00 3.02 -3.667222598e+00 -4.342492050e+00 -4.614452765e+00 3.04 -3.598395608e+00 -4.293329385e+00 -4.580510979e+00 3.06 -3.529501087e+00 -4.242143050e+00 -4.543301005e+00 3.08 -3.460648037e+00 -4.189155878e+00 -4.503109240e+00 3.10 -3.391935953e+00 -4.134576119e+00 -4.460204718e+00 3.12 -3.323455453e+00 -4.078597638e+00 -4.414840053e+00 3.14 -3.255288870e+00 -4.021400932e+00 -4.367252341e+00 3.16 -3.187510809e+00 -3.963153935e+00 -4.317664008e+00 3.18 -3.120188670e+00 -3.904012750e+00 -4.266283615e+00 3.20 -3.053383136e+00 -3.844122362e+00 -4.213306629e+00 3.22 -2.987148632e+00 -3.783617297e+00 -4.158916139e+00 3.24 -2.921533755e+00 -3.722622246e+00 -4.103283544e+00 3.26 -2.856581681e+00 -3.661252654e+00 -4.046569208e+00 3.28 -2.792330540e+00 -3.599615280e+00 -3.988923067e+00 3.30 -2.728813775e+00 -3.537808716e+00 -3.930485216e+00 3.32 -2.666060469e+00 -3.475923885e+00 -3.871386462e+00 3.34 -2.604095663e+00 -3.414044502e+00 -3.811748843e+00 3.36 -2.542940643e+00 -3.352247521e+00 -3.751686128e+00 3.38 -2.482613219e+00 -3.290603539e+00 -3.691304280e+00 3.40 -2.423127977e+00 -3.229177192e+00 -3.630701903e+00 3.42 -2.364496521e+00 -3.168027524e+00 -3.569970662e+00 3.44 -2.306727702e+00 -3.107208326e+00 -3.509195678e+00 3.46 -2.249827822e+00 -3.046768470e+00 -3.448455909e+00 3.48 -2.193800839e+00 -2.986752212e+00 -3.387961586e+00 3.50 -2.138648547e+00 -2.927199481e+00 -3.331087360e+00 3.52 -2.084370755e+00 -2.868146154e+00 -3.285285614e+00 3.54 -2.030965446e+00 -2.809624313e+00 -3.236085612e+00 3.56 -1.978428933e+00 -2.751662483e+00 -3.175708824e+00 3.58 -1.926756001e+00 -2.694285867e+00 -3.115753941e+00 3.60 -1.875940044e+00 -2.637516552e+00 -3.056265021e+00 3.62 -1.825973191e+00 -2.581373718e+00 -2.997282342e+00 3.64 -1.776846428e+00 -2.525873825e+00 -2.938842633e+00 3.66 -1.728549708e+00 -2.471030796e+00 -2.880979284e+00 3.68 -1.681072062e+00 -2.416856180e+00 -2.823722556e+00 3.70 -1.634401699e+00 -2.363359321e+00 -2.767099767e+00 3.72 -1.588526101e+00 -2.310547498e+00 -2.711135479e+00 3.74 -1.543432117e+00 -2.258426077e+00 -2.655851665e+00 3.76 -1.499106053e+00 -2.206998639e+00 -2.601267878e+00 3.78 -1.455533750e+00 -2.156267112e+00 -2.547401396e+00 3.80 -1.412700672e+00 -2.106231887e+00 -2.494267374e+00 3.82 -1.370591985e+00 -2.056891937e+00 -2.441878979e+00 3.84 -1.329192627e+00 -2.008244924e+00 -2.390247515e+00 3.86 -1.288487391e+00 -1.960287300e+00 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-1.206067864e+00 -1.557998630e+00 4.24 -4.738088147e-01 -1.169586226e+00 -1.521899537e+00 4.26 -4.574228342e-01 -1.133560167e+00 -1.486531377e+00 4.28 -4.414939136e-01 -1.096781358e+00 -1.451885982e+00 4.30 -4.260112357e-01 -1.051087807e+00 -1.417954906e+00 4.32 -4.109641741e-01 -9.720398657e-01 -1.384729456e+00 4.34 -3.963422956e-01 -9.182246572e-01 -1.352200716e+00 4.36 -3.821353620e-01 -8.843466351e-01 -1.320359582e+00 4.38 -3.683333316e-01 -8.510812991e-01 -1.289196780e+00 4.40 -3.553897396e-01 -8.184549550e-01 -1.258702892e+00 4.42 -3.515716197e-01 -7.864946603e-01 -1.228868378e+00 4.44 -3.704495263e-01 -7.552278572e-01 -1.199683596e+00 4.46 -3.371481457e-01 -7.246819666e-01 -1.171138822e+00 4.48 -2.409631130e-01 -6.948839498e-01 -1.143224267e+00 4.50 -2.356456056e-01 -6.658598487e-01 -1.115930094e+00 4.52 -2.304458050e-01 -6.376343143e-01 -1.089246431e+00 4.54 -2.253618278e-01 -6.102301361e-01 -1.063163392e+00 4.56 -2.203917953e-01 -5.836677862e-01 -1.037671083e+00 4.58 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