# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Ko-W-S-Hur-J-Hwang-J-Y-Chun-Y-B--Cu-Ni-Ti # implementation = 2024--Ko-W-S--Cu-Ni-Ti--LAMMPS--ipr1 # composition = CuTi3 # 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 2026-08-31 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 3.780089136e+02 nan nan 0.92 3.538135382e+02 nan nan 0.94 3.310747636e+02 nan nan 0.96 3.097077168e+02 nan nan 0.98 2.896323605e+02 3.924608954e+02 nan 1.00 2.707732231e+02 3.688739733e+02 nan 1.02 2.530591422e+02 3.466311703e+02 3.630208632e+02 1.04 2.364230230e+02 3.256577666e+02 3.419870178e+02 1.06 2.208016104e+02 3.058831325e+02 3.220950092e+02 1.08 2.061352727e+02 2.872405075e+02 3.032850790e+02 1.10 1.923677979e+02 2.696667907e+02 2.855005437e+02 1.12 1.794462017e+02 2.531023425e+02 2.686876366e+02 1.14 1.673205450e+02 2.374907970e+02 2.527953581e+02 1.16 1.559437626e+02 2.227788847e+02 2.377753325e+02 1.18 1.452715009e+02 2.089162640e+02 2.235816723e+02 1.20 1.352619645e+02 1.958553629e+02 2.101708498e+02 1.22 1.258757716e+02 1.835512278e+02 1.975015743e+02 1.24 1.170758177e+02 1.719613820e+02 1.855346760e+02 1.26 1.088271459e+02 1.610456903e+02 1.742329965e+02 1.28 1.010968256e+02 1.507662319e+02 1.635612841e+02 1.30 9.385383750e+01 1.410871798e+02 1.534860955e+02 1.32 8.706896444e+01 1.319746865e+02 1.439757021e+02 1.34 8.071468938e+01 1.233967764e+02 1.350000016e+02 1.36 7.476509836e+01 1.153232435e+02 1.265304352e+02 1.38 6.919578919e+01 1.077255547e+02 1.185399078e+02 1.40 6.398378510e+01 1.005767585e+02 1.110027143e+02 1.42 5.910745343e+01 9.385139860e+01 1.038944686e+02 1.44 5.454642865e+01 8.752543208e+01 9.719203715e+01 1.46 5.028153992e+01 8.157615199e+01 9.087347641e+01 1.48 4.629474258e+01 7.598211421e+01 8.491797309e+01 1.50 4.256905359e+01 7.072306821e+01 7.930578797e+01 1.52 3.908849050e+01 6.577989163e+01 7.401820276e+01 1.54 3.583801402e+01 6.113452835e+01 6.903746964e+01 1.56 3.280347365e+01 5.676992987e+01 6.434676342e+01 1.58 2.997155653e+01 5.267000004e+01 5.993013630e+01 1.60 2.732973912e+01 4.881954261e+01 5.577247467e+01 1.62 2.486624159e+01 4.520421168e+01 5.185945819e+01 1.64 2.256998485e+01 4.181046497e+01 4.817752089e+01 1.66 2.043054998e+01 3.862551942e+01 4.471381391e+01 1.68 1.843813998e+01 3.563730939e+01 4.145617026e+01 1.70 1.658354367e+01 3.283444703e+01 3.839307104e+01 1.72 1.485810168e+01 3.020618485e+01 3.551361318e+01 1.74 1.325367433e+01 2.774238033e+01 3.280747879e+01 1.76 1.176261141e+01 2.543346245e+01 3.026490579e+01 1.78 1.037772356e+01 2.327040005e+01 2.787665982e+01 1.80 9.092255423e+00 2.124467196e+01 2.563400757e+01 1.82 7.899860256e+00 1.934823866e+01 2.352869113e+01 1.84 6.794575988e+00 1.757351560e+01 2.155290359e+01 1.86 5.770802679e+00 1.591334796e+01 1.969926578e+01 1.88 4.823281254e+00 1.436098671e+01 1.796080400e+01 1.90 3.947073460e+00 1.291006608e+01 1.633092879e+01 1.92 3.137542974e+00 1.155458223e+01 1.480341479e+01 1.94 2.390337594e+00 1.028887309e+01 1.337238136e+01 1.96 1.701372461e+00 9.107599282e+00 1.203227436e+01 1.98 1.066814238e+00 8.005726161e+00 1.077784859e+01 2.00 4.830662097e-01 6.978506751e+00 9.604151232e+00 2.02 -5.324575845e-02 6.021465708e+00 8.506506082e+00 2.04 -5.452864577e-01 5.130384102e+00 7.480498509e+00 2.06 -9.960237971e-01 4.301285072e+00 6.521961241e+00 2.08 -1.408240548e+00 3.530420274e+00 5.626960862e+00 2.10 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-4.583581222e+00 -3.733547924e+00 -3.197698198e+00 2.48 -4.604163944e+00 -3.868070628e+00 -3.381695859e+00 2.50 -4.616778553e+00 -3.987829236e+00 -3.548447701e+00 2.52 -4.622234580e+00 -4.093815164e+00 -3.699039099e+00 2.54 -4.621004567e+00 -4.186960131e+00 -3.834492888e+00 2.56 -4.613637057e+00 -4.268139583e+00 -3.955772866e+00 2.58 -4.600642012e+00 -4.338175178e+00 -4.063787111e+00 2.60 -4.582493166e+00 -4.397833767e+00 -4.159391120e+00 2.62 -4.559630225e+00 -4.447850922e+00 -4.243390754e+00 2.64 -4.532231884e+00 -4.488908424e+00 -4.316545037e+00 2.66 -4.498746227e+00 -4.521640546e+00 -4.379568795e+00 2.68 -4.462427126e+00 -4.546646995e+00 -4.433135134e+00 2.70 -4.424848908e+00 -4.564490347e+00 -4.477877800e+00 2.72 -4.384294737e+00 -4.575698194e+00 -4.514393394e+00 2.74 -4.341039416e+00 -4.580765168e+00 -4.543243469e+00 2.76 -4.295335618e+00 -4.580154849e+00 -4.564956508e+00 2.78 -4.247415188e+00 -4.574301560e+00 -4.580029789e+00 2.80 -4.197490344e+00 -4.563612059e+00 -4.588931156e+00 2.82 -4.145754825e+00 -4.548467135e+00 -4.592100681e+00 2.84 -4.092384961e+00 -4.529223102e+00 -4.589949886e+00 2.86 -4.037540703e+00 -4.506213211e+00 -4.582744912e+00 2.88 -3.981366597e+00 -4.479748978e+00 -4.570606951e+00 2.90 -3.923992725e+00 -4.450121424e+00 -4.554706933e+00 2.92 -3.865535631e+00 -4.417602251e+00 -4.535021683e+00 2.94 -3.806099221e+00 -4.382444935e+00 -4.511740849e+00 2.96 -3.745775671e+00 -4.344885757e+00 -4.485149646e+00 2.98 -3.684646342e+00 -4.305144770e+00 -4.455515903e+00 3.00 -3.622782724e+00 -4.263426697e+00 -4.423091057e+00 3.02 -3.560247414e+00 -4.219698009e+00 -4.388111095e+00 3.04 -3.497095144e+00 -4.171548578e+00 -4.350797433e+00 3.06 -3.433373876e+00 -4.118691513e+00 -4.311357757e+00 3.08 -3.369125963e+00 -4.071447855e+00 -4.269986811e+00 3.10 -3.304389392e+00 -4.023142665e+00 -4.226867142e+00 3.12 -3.239199110e+00 -3.973773637e+00 -4.182169805e+00 3.14 -3.173588426e+00 -3.923459630e+00 -4.136055023e+00 3.16 -3.107590486e+00 -3.872309508e+00 -4.088672818e+00 3.18 -3.041239796e+00 -3.820422625e+00 -4.040163600e+00 3.20 -2.974573784e+00 -3.767889274e+00 -3.990658726e+00 3.22 -2.907634330e+00 -3.714791123e+00 -3.940281029e+00 3.24 -2.840469260e+00 -3.661201616e+00 -3.889145310e+00 3.26 -2.773133700e+00 -3.607186373e+00 -3.837358813e+00 3.28 -2.705691269e+00 -3.552803572e+00 -3.785021663e+00 3.30 -2.638215000e+00 -3.498104339e+00 -3.732227288e+00 3.32 -2.570787944e+00 -3.443133132e+00 -3.679062809e+00 3.34 -2.503503371e+00 -3.387928153e+00 -3.625609415e+00 3.36 -2.436464521e+00 -3.332521782e+00 -3.571942712e+00 3.38 -2.369783853e+00 -3.276941042e+00 -3.518133053e+00 3.40 -2.303581789e+00 -3.221208117e+00 -3.464245852e+00 3.42 -2.237984941e+00 -3.165340925e+00 -3.410341879e+00 3.44 -2.173123896e+00 -3.109353764e+00 -3.356477534e+00 3.46 -2.109130604e+00 -3.053258028e+00 -3.302705111e+00 3.48 -2.046135501e+00 -2.997063022e+00 -3.248811322e+00 3.50 -1.984264487e+00 -2.940776857e+00 -3.188659729e+00 3.52 -1.923635908e+00 -2.884407438e+00 -3.108314042e+00 3.54 -1.864357708e+00 -2.827963540e+00 -3.035267370e+00 3.56 -1.806524882e+00 -2.771455947e+00 -2.985529997e+00 3.58 -1.750217375e+00 -2.714898638e+00 -2.936005987e+00 3.60 -1.695498522e+00 -2.658309991e+00 -2.886728698e+00 3.62 -1.642414100e+00 -2.601713942e+00 -2.837728939e+00 3.64 -1.590992014e+00 -2.545141072e+00 -2.789035117e+00 3.66 -1.541242610e+00 -2.488629531e+00 -2.740673386e+00 3.68 -1.493159574e+00 -2.432225756e+00 -2.692667778e+00 3.70 -1.446721321e+00 -2.375984890e+00 -2.645040335e+00 3.72 -1.401892794e+00 -2.319970864e+00 -2.597811226e+00 3.74 -1.358627543e+00 -2.264256065e+00 -2.550998860e+00 3.76 -1.316869981e+00 -2.208920575e+00 -2.504619998e+00 3.78 -1.276557684e+00 -2.154050964e+00 -2.458689850e+00 3.80 -1.237623650e+00 -2.099738656e+00 -2.413222170e+00 3.82 -1.199998417e+00 -2.046077925e+00 -2.368229347e+00 3.84 -1.163611961e+00 -1.993163613e+00 -2.323722491e+00 3.86 -1.128395353e+00 -1.941088658e+00 -2.279711510e+00 3.88 -1.094282101e+00 -1.889941587e+00 -2.236205186e+00 3.90 -1.061209211e+00 -1.839804098e+00 -2.193211250e+00 3.92 -1.029117933e+00 -1.790748869e+00 -2.150736440e+00 3.94 -9.979542385e-01 -1.742837714e+00 -2.108786572e+00 3.96 -9.676690375e-01 -1.696120192e+00 -2.067366597e+00 3.98 -9.382181884e-01 -1.650632710e+00 -2.026480654e+00 4.00 -9.095623292e-01 -1.606398180e+00 -1.986132127e+00 4.02 -8.803001129e-01 -1.563426185e+00 -1.946323693e+00 4.04 -8.326987117e-01 -1.521713646e+00 -1.907057365e+00 4.06 -7.333496940e-01 -1.481245897e+00 -1.868334542e+00 4.08 -6.158331362e-01 -1.441998089e+00 -1.830156048e+00 4.10 -5.977255144e-01 -1.403936828e+00 -1.792522169e+00 4.12 -5.824821527e-01 -1.367021932e+00 -1.755432692e+00 4.14 -5.675493539e-01 -1.331208230e+00 -1.718886940e+00 4.16 -5.529226248e-01 -1.296447300e+00 -1.682883803e+00 4.18 -5.385974722e-01 -1.262689078e+00 -1.647421769e+00 4.20 -5.245694070e-01 -1.229883296e+00 -1.612498954e+00 4.22 -5.108339483e-01 -1.197980696e+00 -1.578113128e+00 4.24 -4.973866268e-01 -1.166934010e+00 -1.544261739e+00 4.26 -4.842229885e-01 -1.136246599e+00 -1.510941943e+00 4.28 -4.713385970e-01 -1.097132703e+00 -1.478150618e+00 4.30 -4.587290371e-01 -1.027586558e+00 -1.445884394e+00 4.32 -4.463899164e-01 -9.224506792e-01 -1.414139665e+00 4.34 -4.343168685e-01 -8.771679380e-01 -1.382912613e+00 4.36 -4.225055545e-01 -8.570826760e-01 -1.352199226e+00 4.38 -4.109516652e-01 -8.373753484e-01 -1.321995311e+00 4.40 -3.992210278e-01 -8.180414391e-01 -1.292296512e+00 4.42 -3.795691910e-01 -7.990763622e-01 -1.263098324e+00 4.44 -3.278504570e-01 -7.804754713e-01 -1.234396106e+00 4.46 -2.044118834e-01 -7.622340682e-01 -1.206185097e+00 4.48 -1.442292367e-01 -7.443474103e-01 -1.178460425e+00 4.50 -1.415877550e-01 -7.268107185e-01 -1.151217120e+00 4.52 -1.390206152e-01 -7.096191841e-01 -1.124450121e+00 4.54 -1.365247792e-01 -6.927679757e-01 -1.098154294e+00 4.56 -1.340972459e-01 -6.762522447e-01 -1.072324434e+00 4.58 -1.317350633e-01 -6.600671318e-01 -1.046955275e+00 4.60 -1.294353392e-01 -6.442077720e-01 -1.022041503e+00 4.62 -1.271952511e-01 -6.286692994e-01 -9.975777576e-01 4.64 -1.250120547e-01 -6.134468522e-01 -9.735586430e-01 4.66 -1.228830910e-01 -5.985355770e-01 -9.499787340e-01 4.68 -1.208057933e-01 -5.839306327e-01 -9.268325819e-01 4.70 -1.187776914e-01 -5.696271940e-01 -9.041147207e-01 4.72 -1.167964167e-01 -5.556204557e-01 -8.818196724e-01 4.74 -1.148597044e-01 -5.419056347e-01 -8.599419528e-01 4.76 -1.129653961e-01 -5.284779742e-01 -8.384760754e-01 4.78 -1.111114409e-01 -5.153327456e-01 -8.174165566e-01 4.80 -1.092958956e-01 -5.024652514e-01 -7.967579198e-01 4.82 -1.075169244e-01 -4.898708275e-01 -7.764946989e-01 4.84 -1.057727977e-01 -4.775448453e-01 -7.566214424e-01 4.86 -1.040618904e-01 -4.654827137e-01 -7.371327164e-01 4.88 -1.023826796e-01 -4.536798808e-01 -7.180231080e-01 4.90 -1.007337418e-01 -4.421318359e-01 -6.992872279e-01 4.92 -9.882806815e-02 -4.298148442e-01 -6.793666208e-01 4.94 -9.308210352e-02 -4.040070364e-01 -6.388406556e-01 4.96 -7.482055700e-02 -3.327228920e-01 -5.283172325e-01 4.98 -3.667697195e-02 -1.782367308e-01 -2.864272102e-01 5.00 -9.917614856e-25 -7.276558665e-23 -6.642242235e-23 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 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