# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Kim-Y-M-Shin-Y-H-Lee-B-J--Mn # implementation = 2009--Kim-Y-M--Mn--LAMMPS--ipr1 # composition = Mn # 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 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan 2.101579727e+02 nan nan nan nan 0.64 nan nan nan nan nan 1.957543133e+02 nan nan nan nan 0.66 nan nan nan nan nan 1.823315414e+02 nan nan 2.725765677e+02 nan 0.68 nan nan nan nan nan 1.698208970e+02 nan nan 2.531627380e+02 nan 0.70 nan nan nan nan nan 1.581586400e+02 nan nan 2.350870366e+02 nan 0.72 nan 4.502105017e+02 nan nan nan 1.472856681e+02 nan nan 2.182576840e+02 3.511866427e+02 0.74 nan 4.213628770e+02 nan nan nan 1.371471645e+02 3.771699864e+02 nan 2.025892336e+02 3.291411947e+02 0.76 nan 3.942502530e+02 nan nan nan 1.276922735e+02 3.527258604e+02 nan 1.880021289e+02 3.084239863e+02 0.78 nan 3.687726071e+02 4.559519955e+02 nan nan 1.188738023e+02 3.297811205e+02 nan 1.744222932e+02 2.889560182e+02 0.80 nan 3.448354828e+02 4.290389337e+02 nan 4.291435055e+02 1.106479450e+02 3.082473540e+02 4.204347226e+02 1.617807475e+02 2.706629976e+02 0.82 4.147309648e+02 3.223496921e+02 4.036183415e+02 4.098055091e+02 4.048800651e+02 1.029740293e+02 2.880411191e+02 3.960241067e+02 1.500132566e+02 2.534750553e+02 0.84 3.911053123e+02 3.012310330e+02 3.796106123e+02 3.865041248e+02 3.819029718e+02 9.581428194e+01 2.690836881e+02 3.729420323e+02 1.390599994e+02 2.373264792e+02 0.86 3.687404684e+02 2.814000210e+02 3.569402765e+02 3.644434681e+02 3.601465204e+02 8.913361307e+01 2.513008013e+02 3.511189678e+02 1.288652626e+02 2.221554652e+02 0.88 3.475717540e+02 2.627816342e+02 3.355357903e+02 3.435599941e+02 3.395483010e+02 8.289941695e+01 2.346224323e+02 3.304889337e+02 1.193771565e+02 2.079038825e+02 0.90 3.275377275e+02 2.453050722e+02 3.153293351e+02 3.237933416e+02 3.200490334e+02 7.708138816e+01 2.189825631e+02 3.109893234e+02 1.105473500e+02 1.945170536e+02 0.92 3.085800257e+02 2.289035265e+02 2.962566273e+02 3.050861750e+02 3.015924101e+02 7.165135203e+01 2.043189696e+02 2.925607328e+02 1.023308248e+02 1.819435477e+02 0.94 2.906432110e+02 2.135139633e+02 2.782567367e+02 2.873840338e+02 2.841249481e+02 6.658310806e+01 1.905730178e+02 2.751467994e+02 9.468564624e+01 1.701349863e+02 0.96 2.736746274e+02 1.990769171e+02 2.612719160e+02 2.706351897e+02 2.675958471e+02 6.185228545e+01 1.776894679e+02 2.586940483e+02 8.757275099e+01 1.590458606e+02 0.98 2.576242627e+02 1.855362958e+02 2.452474370e+02 2.547905109e+02 2.519568563e+02 5.743620968e+01 1.656162897e+02 2.431517474e+02 8.095574859e+01 1.486333608e+02 1.00 2.424446180e+02 1.728391952e+02 2.301314361e+02 2.398033334e+02 2.371621467e+02 5.331377937e+01 1.543044856e+02 2.284717682e+02 7.480073754e+01 1.388572142e+02 1.02 2.280905836e+02 1.609357235e+02 2.158747677e+02 2.256293383e+02 2.231681905e+02 4.946535249e+01 1.437079225e+02 2.146084552e+02 6.907613387e+01 1.296795346e+02 1.04 2.145193206e+02 1.497788354e+02 2.024308644e+02 2.122264356e+02 2.099336467e+02 4.587264137e+01 1.337831730e+02 2.015185003e+02 6.375251173e+01 1.210646796e+02 1.06 2.016901488e+02 1.393241748e+02 1.897556049e+02 1.995546534e+02 1.974192521e+02 4.251861556e+01 1.244893632e+02 1.891608250e+02 5.880245502e+01 1.129791171e+02 1.08 1.895644396e+02 1.295299254e+02 1.778071878e+02 1.875760332e+02 1.855877181e+02 3.938741223e+01 1.157880297e+02 1.774964671e+02 5.420041937e+01 1.053912998e+02 1.10 1.781055149e+02 1.203566701e+02 1.665460127e+02 1.762545295e+02 1.744036322e+02 3.646425325e+01 1.076429826e+02 1.664884739e+02 4.992260356e+01 9.827154713e+01 1.12 1.672785498e+02 1.117672572e+02 1.559345669e+02 1.655559150e+02 1.638333651e+02 3.373536855e+01 1.000201769e+02 1.561018008e+02 4.594683003e+01 9.159193411e+01 1.14 1.570504812e+02 1.037266741e+02 1.459373172e+02 1.554476908e+02 1.538449815e+02 3.118792525e+01 9.288758997e+01 1.463032142e+02 4.225243346e+01 8.532618728e+01 1.16 1.473899204e+02 9.620192815e+01 1.365206087e+02 1.458989999e+02 1.444081567e+02 2.880996206e+01 8.621510546e+01 1.370612004e+02 3.882015719e+01 7.944958651e+01 1.18 1.382670698e+02 8.916193329e+01 1.276525669e+02 1.368805461e+02 1.354940959e+02 2.659032853e+01 7.997440387e+01 1.283458777e+02 3.563205674e+01 7.393887291e+01 1.20 1.296536440e+02 8.257740315e+01 1.193030065e+02 1.283645165e+02 1.270754585e+02 2.451862885e+01 7.413885876e+01 1.201289143e+02 3.267140997e+01 6.877216214e+01 1.22 1.215227946e+02 7.642075011e+01 1.114433435e+02 1.203245075e+02 1.191262860e+02 2.258516961e+01 6.868343861e+01 1.123834492e+02 2.992263345e+01 6.392886301e+01 1.24 1.138490388e+02 7.066598960e+01 1.040465126e+02 1.127354550e+02 1.116219328e+02 2.078091146e+01 6.358461420e+01 1.050840177e+02 2.737120461e+01 5.938960082e+01 1.26 1.066081917e+02 6.528864980e+01 9.708688824e+01 1.055735677e+02 1.045390017e+02 1.909742419e+01 5.882027093e+01 9.820648024e+01 2.500358920e+01 5.513614542e+01 1.28 9.977730112e+01 6.026568617e+01 9.054021017e+01 9.881626402e+01 9.785528117e+01 1.752684492e+01 5.436962616e+01 9.172795539e+01 2.280717378e+01 5.115134346e+01 1.30 9.333458661e+01 5.557540082e+01 8.438351242e+01 9.244211145e+01 9.154968698e+01 1.606183932e+01 5.021315104e+01 8.562675545e+01 2.077020284e+01 4.741905476e+01 1.32 8.725938094e+01 5.119736612e+01 7.859505609e+01 8.643076974e+01 8.560220583e+01 1.469556538e+01 4.633249685e+01 7.988232578e+01 1.888172023e+01 4.392409240e+01 1.34 8.153207452e+01 4.711235272e+01 7.315426551e+01 8.076293635e+01 7.999384222e+01 1.342163976e+01 4.271042540e+01 7.447518708e+01 1.713151459e+01 4.065216646e+01 1.36 7.613406260e+01 4.330226140e+01 6.804166764e+01 7.542029476e+01 7.470656785e+01 1.223410633e+01 3.933074343e+01 6.938688049e+01 1.551006862e+01 3.758983105e+01 1.38 7.104769510e+01 3.975005873e+01 6.323883462e+01 7.038546528e+01 6.972327344e+01 1.112740683e+01 3.617824076e+01 6.459991549e+01 1.400851169e+01 3.472443453e+01 1.40 6.625622879e+01 3.643971637e+01 5.872832920e+01 6.564195835e+01 6.502772307e+01 1.009635345e+01 3.323863193e+01 6.009772048e+01 1.261857579e+01 3.204407265e+01 1.42 6.174378200e+01 3.335615363e+01 5.449365305e+01 6.117413005e+01 6.060451063e+01 9.136103203e+00 3.049850121e+01 5.586459572e+01 1.133255447e+01 2.953754455e+01 1.44 5.749529140e+01 3.048518329e+01 5.051919758e+01 5.696713993e+01 5.643901850e+01 8.242134004e+00 2.794525086e+01 5.188566874e+01 1.014326460e+01 2.719431126e+01 1.46 5.349647100e+01 2.781346043e+01 4.679019744e+01 5.300691078e+01 5.251737828e+01 7.410222231e+00 2.556705223e+01 4.814685198e+01 9.044009780e+00 2.500445675e+01 1.48 4.973377313e+01 2.532843411e+01 4.329268627e+01 4.928009050e+01 4.882643339e+01 6.636421803e+00 2.335279986e+01 4.463480251e+01 8.028549829e+00 2.295865131e+01 1.50 4.619435142e+01 2.301830175e+01 4.001345482e+01 4.577401575e+01 4.535370357e+01 5.917044598e+00 2.129206817e+01 4.133688382e+01 7.091069069e+00 2.104811702e+01 1.52 4.286602547e+01 2.087196604e+01 3.694001113e+01 4.247667749e+01 4.208735109e+01 5.248642312e+00 1.937507068e+01 3.824112956e+01 6.226143635e+00 1.926459526e+01 1.54 3.973724741e+01 1.887899432e+01 3.406054287e+01 3.937668814e+01 3.901614867e+01 4.628094723e+00 1.759262165e+01 3.533620903e+01 5.428718922e+00 1.760031623e+01 1.56 3.679707002e+01 1.702958023e+01 3.136388151e+01 3.646325041e+01 3.612944894e+01 4.052559978e+00 1.593609994e+01 3.261139452e+01 4.694083251e+00 1.604797022e+01 1.58 3.403511647e+01 1.531450742e+01 2.883946837e+01 3.372612764e+01 3.341715542e+01 3.518488866e+00 1.439741506e+01 3.005653020e+01 4.017840209e+00 1.460068058e+01 1.60 3.144155149e+01 1.372511541e+01 2.647732249e+01 3.115561561e+01 3.086969492e+01 3.023675126e+00 1.296897514e+01 2.766200262e+01 3.395899078e+00 1.325197829e+01 1.62 2.900705409e+01 1.225326745e+01 2.426801005e+01 2.874251576e+01 2.847799130e+01 2.565635084e+00 1.164365686e+01 2.541871273e+01 2.824451221e+00 1.199577801e+01 1.64 2.672279151e+01 1.089131997e+01 2.220261540e+01 2.647810971e+01 2.623344057e+01 2.142038758e+00 1.041477523e+01 2.331804926e+01 2.299933276e+00 1.082635558e+01 1.66 2.458039451e+01 9.632093841e+00 2.027271368e+01 2.435413504e+01 2.412788711e+01 1.750698990e+00 9.276060108e+00 2.135186349e+01 1.819029381e+00 9.738326807e+00 1.68 2.257193389e+01 8.468847388e+00 1.847034469e+01 2.236276229e+01 2.215360118e+01 1.389561458e+00 8.221637968e+00 1.951244529e+01 1.378648705e+00 8.726627546e+00 1.70 2.068989817e+01 7.395250815e+00 1.678798826e+01 2.049657305e+01 2.030325746e+01 1.056695494e+00 7.245973745e+00 1.779250034e+01 9.759102069e-01 7.786494905e+00 1.72 1.892717237e+01 6.405362103e+00 1.521854081e+01 1.874853919e+01 1.856991468e+01 7.502856809e-01 6.343886997e+00 1.618512855e+01 6.081284438e-01 6.913449586e+00 1.74 1.727701782e+01 5.493604282e+00 1.375529319e+01 1.711200310e+01 1.694699624e+01 4.686241660e-01 5.510588023e+00 1.468380356e+01 2.728003398e-01 6.103279250e+00 1.76 1.573305307e+01 4.654743869e+00 1.239190960e+01 1.558065887e+01 1.542827179e+01 2.101036545e-01 4.741488653e+00 1.328235328e+01 -3.240713910e-02 5.352022871e+00 1.78 1.428923558e+01 3.883861980e+00 1.112240762e+01 1.414853444e+01 1.400783974e+01 -2.678898121e-02 4.032324492e+00 1.197494138e+01 -3.096684720e-01 4.655955991e+00 1.80 1.293984452e+01 3.176344337e+00 9.941139377e+00 1.280997465e+01 1.268011059e+01 -2.434785196e-01 3.379097937e+00 1.075604981e+01 -5.610102868e-01 4.011576856e+00 1.82 1.167946426e+01 2.527918370e+00 8.842773532e+00 1.155962507e+01 1.143979113e+01 -4.413066891e-01 2.778061896e+00 9.620462131e+00 -7.883281144e-01 3.415593359e+00 1.84 1.050296877e+01 1.934505158e+00 7.822277968e+00 1.039241670e+01 1.028186937e+01 -6.209202752e-01 2.225704511e+00 8.563247703e+00 -9.937025543e-01 2.864910743e+00 1.86 9.405506790e+00 1.392308382e+00 6.874889948e+00 9.303551400e+00 9.201600277e+00 -7.598280002e-01 1.718734789e+00 7.579746732e+00 -1.179022899e+00 2.356620028e+00 1.88 8.382487698e+00 8.977679708e-01 5.996120058e+00 8.288488011e+00 8.194492161e+00 -8.456934723e-01 1.254069111e+00 6.665556024e+00 -1.344351283e+00 1.887987122e+00 1.90 7.429568143e+00 4.473579320e-01 5.181808339e+00 7.342929232e+00 7.256293767e+00 -9.883661801e-01 8.288185487e-01 5.816515495e+00 -1.492156393e+00 1.456442553e+00 1.92 6.542639299e+00 3.752524220e-02 4.427925972e+00 6.462809102e+00 6.382981995e+00 -1.117189736e+00 4.402769447e-01 5.028695358e+00 -1.623368354e+00 1.059571817e+00 1.94 5.717814780e+00 -3.332421129e-01 3.730713687e+00 5.644281123e+00 5.570750233e+00 -1.233120679e+00 8.590971766e-02 4.298383972e+00 -1.739449508e+00 6.951062828e-01 1.96 4.951419153e+00 -6.684129163e-01 3.086626926e+00 4.883706972e+00 4.815997266e+00 -1.337061363e+00 -2.366566605e-01 3.622073248e+00 -1.841576973e+00 3.609146245e-01 1.98 4.239977028e+00 -9.709704830e-01 2.492324189e+00 4.177645779e+00 4.115316737e+00 -1.429861575e+00 -5.296445499e-01 2.996414989e+00 -1.930571271e+00 5.499476273e-02 2.00 3.580202694e+00 -1.243099062e+00 1.944655973e+00 3.522843932e+00 3.465487137e+00 -1.512320822e+00 -7.951344295e-01 2.418309584e+00 -2.006988264e+00 -2.245337308e-01 2.02 2.968990281e+00 -1.486317840e+00 1.440654313e+00 2.916225405e+00 2.863462278e+00 -1.585190526e+00 -1.035073622e+00 1.884876125e+00 -2.073362715e+00 -4.794367824e-01 2.04 2.403387157e+00 -1.703328122e+00 9.775228590e-01 2.354867586e+00 2.306349647e+00 -1.649176143e+00 -1.251284489e+00 1.393077780e+00 -2.129713369e+00 -7.114397861e-01 2.06 1.880417921e+00 -1.896300449e+00 5.526274839e-01 1.835847357e+00 1.791279230e+00 -1.704939230e+00 -1.445472134e+00 9.404156304e-01 -2.176802497e+00 -9.228872331e-01 2.08 1.397540657e+00 -2.066983360e+00 1.634873878e-01 1.356636115e+00 1.315735231e+00 -1.753099471e+00 -1.619231633e+00 5.248151682e-01 -2.215374716e+00 -1.114946209e+00 2.10 9.528264764e-01 -2.216526160e+00 -1.922333292e-01 9.152556990e-01 8.776881395e-01 -1.794236660e+00 -1.774054826e+00 1.436143121e-01 -2.246123307e+00 -1.286871509e+00 2.12 5.435287040e-01 -2.346952000e+00 -5.167336469e-01 5.090338496e-01 4.745418227e-01 -1.828892664e+00 -1.911336704e+00 -2.053888024e-01 -2.269693608e+00 -1.441524272e+00 2.14 1.674401654e-01 -2.459753674e+00 -8.120831809e-01 1.357825379e-01 1.041273901e-01 -1.857573346e+00 -2.032381357e+00 -5.242699124e-01 -2.286686186e+00 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