# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = FeMn3 # 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 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 4.943939957e+04 nan nan 1.02 3.893690437e+04 nan nan 1.04 3.080354210e+04 nan nan 1.06 2.447429149e+04 nan nan 1.08 1.952598861e+04 nan nan 1.10 1.563998190e+04 3.920836745e+04 nan 1.12 1.257505788e+04 3.154504321e+04 4.204850988e+04 1.14 1.014769827e+04 2.547382862e+04 3.396112270e+04 1.16 8.217600009e+03 2.064459324e+04 2.752763468e+04 1.18 6.676994403e+03 1.678836608e+04 2.238992693e+04 1.20 5.442727866e+03 1.369758463e+04 1.827163508e+04 1.22 4.450358001e+03 1.121137304e+04 1.495854915e+04 1.24 3.649732835e+03 9.204512320e+03 1.228393130e+04 1.26 3.001661858e+03 7.579138512e+03 1.011746428e+04 1.28 2.475400125e+03 6.258463690e+03 8.356892431e+03 1.30 2.046735392e+03 5.182004837e+03 6.921670457e+03 1.32 1.696530143e+03 4.301945925e+03 5.748118073e+03 1.34 1.409604009e+03 3.580349506e+03 4.785708298e+03 1.36 1.173873406e+03 2.987010207e+03 3.994210143e+03 1.38 9.796876625e+02 2.497798177e+03 3.341483119e+03 1.40 8.193137093e+02 2.093374407e+03 2.801766227e+03 1.42 6.865359364e+02 1.758189856e+03 2.354345783e+03 1.44 5.763436786e+02 1.479704051e+03 1.982515519e+03 1.46 4.846852692e+02 1.247773339e+03 1.672761413e+03 1.48 4.082749165e+02 1.054169209e+03 1.414119620e+03 1.50 3.444407613e+02 8.921982411e+02 1.197670275e+03 1.52 2.910041120e+02 7.564004156e+02 1.016136746e+03 1.54 2.461835259e+02 6.423100356e+02 8.635669561e+02 1.56 2.085188554e+02 5.462651361e+02 7.350791302e+02 1.58 1.768106017e+02 4.652551899e+02 6.266597212e+02 1.60 1.500710249e+02 3.967995449e+02 5.350008329e+02 1.62 1.274845525e+02 3.388490909e+02 4.573697635e+02 1.64 1.083761418e+02 2.897067791e+02 3.915033447e+02 1.66 9.218607080e+01 2.479642581e+02 3.355233325e+02 1.68 7.844930662e+01 2.124502976e+02 2.878675962e+02 1.70 6.677867555e+01 1.821888196e+02 2.472341294e+02 1.72 5.685094804e+01 1.563648063e+02 2.125355694e+02 1.74 4.839579482e+01 1.342964493e+02 1.828616576e+02 1.76 4.118683236e+01 1.154121499e+02 1.574490453e+02 1.78 3.503415990e+01 9.923159994e+01 1.356564581e+02 1.80 2.977824598e+01 8.535057979e+01 1.169442193e+02 1.82 2.528481579e+01 7.342838931e+01 1.008574061e+02 1.84 2.144047157e+01 6.317726383e+01 8.701194174e+01 1.86 1.814930394e+01 5.435379618e+01 7.508268959e+01 1.88 1.533013747e+01 4.675183978e+01 6.479374994e+01 1.90 1.291421109e+01 4.019656591e+01 5.591090039e+01 1.92 1.084323662e+01 3.453951647e+01 4.823501491e+01 1.94 9.067716426e+00 2.965429884e+01 4.159641921e+01 1.96 7.545586228e+00 2.543299261e+01 3.585035275e+01 1.98 6.240992016e+00 2.178323241e+01 3.087328838e+01 2.00 5.123245825e+00 1.862601918e+01 2.655965998e+01 2.02 4.166035012e+00 1.589374050e+01 2.281899084e+01 2.04 3.346809947e+00 1.352846723e+01 1.957359653e+01 2.06 2.646248575e+00 1.148041352e+01 1.675676977e+01 2.08 2.047784378e+00 9.706798797e+00 1.431117697e+01 2.10 1.537207883e+00 8.170824150e+00 1.218749203e+01 2.12 1.102330820e+00 6.840784973e+00 1.034313826e+01 2.14 7.327028364e-01 5.689343381e+00 8.741333841e+00 2.16 4.193537610e-01 4.692912181e+00 7.350321351e+00 2.18 1.545092135e-01 3.831132474e+00 6.142662448e+00 2.20 -6.855882051e-02 3.086430205e+00 5.094642077e+00 2.22 -2.556655999e-01 2.443600394e+00 4.185717767e+00 2.24 -4.118468912e-01 1.889352996e+00 3.397937282e+00 2.26 -5.414524885e-01 1.412131717e+00 2.715667094e+00 2.28 -6.482174352e-01 1.001911387e+00 2.125313637e+00 2.30 -7.353466145e-01 6.499895765e-01 1.615051214e+00 2.32 -8.055909836e-01 3.488142143e-01 1.174593915e+00 2.34 -8.612979699e-01 9.183564288e-02 7.950198694e-01 2.36 -9.044914595e-01 -1.266731189e-01 4.685619899e-01 2.38 -9.369383583e-01 -3.117709262e-01 1.884362228e-01 2.40 -9.601507259e-01 -4.678775103e-01 -5.126819100e-02 2.42 -9.754132257e-01 -5.988476744e-01 -2.556952433e-01 2.44 -9.838385924e-01 -7.080408924e-01 -4.293151251e-01 2.46 -9.863978952e-01 -7.983811115e-01 -5.760040870e-01 2.48 -9.839570877e-01 -8.724081394e-01 -6.991130372e-01 2.50 -9.773102810e-01 -9.323217912e-01 -8.015272197e-01 2.52 -9.671532341e-01 -9.800198014e-01 -8.857960261e-01 2.54 -9.540935237e-01 -1.017130362e+00 -9.542649506e-01 2.56 -9.386615550e-01 -1.045040146e+00 -1.009006497e+00 2.58 -9.213199876e-01 -1.064949151e+00 -1.051840934e+00 2.60 -9.024691517e-01 -1.077936613e+00 -1.084361252e+00 2.62 -8.824521441e-01 -1.084926490e+00 -1.107955795e+00 2.64 -8.615661269e-01 -1.086713154e+00 -1.123841821e+00 2.66 -8.400679568e-01 -1.084036538e+00 -1.133086442e+00 2.68 -8.181783967e-01 -1.077563746e+00 -1.136623615e+00 2.70 -7.960856713e-01 -1.067877612e+00 -1.135268953e+00 2.72 -7.739484520e-01 -1.055472693e+00 -1.129742992e+00 2.74 -7.518983476e-01 -1.040768040e+00 -1.120693402e+00 2.76 -7.300418532e-01 -1.024129752e+00 -1.108690260e+00 2.78 -7.084568917e-01 -1.005877888e+00 -1.094232737e+00 2.80 -6.871930363e-01 -9.862919186e-01 -1.077756465e+00 2.82 -6.662805999e-01 -9.656154438e-01 -1.059639901e+00 2.84 -6.457387833e-01 -9.440602519e-01 -1.040209813e+00 2.86 -6.255830047e-01 -9.218098098e-01 -1.019745991e+00 2.88 -6.058144355e-01 -8.990267020e-01 -9.984852873e-01 2.90 -5.864233630e-01 -8.758650307e-01 -9.766250733e-01 2.92 -5.674161398e-01 -8.524638667e-01 -9.543261671e-01 2.94 -5.488005009e-01 -8.289471058e-01 -9.317153142e-01 2.96 -5.305795019e-01 -8.054252025e-01 -9.088881296e-01 2.98 -5.127590533e-01 -7.819966432e-01 -8.859411454e-01 3.00 -4.953506492e-01 -7.587491913e-01 -8.629789834e-01 3.02 -4.783637593e-01 -7.357609307e-01 -8.400818736e-01 3.04 -4.618066866e-01 -7.131011335e-01 -8.173183491e-01 3.06 -4.456867675e-01 -6.908309713e-01 -7.947476721e-01 3.08 -4.300104100e-01 -6.690040897e-01 -7.724208700e-01 3.10 -4.147830873e-01 -6.476670619e-01 -7.503816048e-01 3.12 -4.000092936e-01 -6.268597363e-01 -7.286668982e-01 3.14 -3.856924646e-01 -6.066154899e-01 -7.073077278e-01 3.16 -3.718348689e-01 -5.869613477e-01 -6.863295092e-01 3.18 -3.584374729e-01 -5.679147606e-01 -6.657524784e-01 3.20 -3.454997819e-01 -5.494821925e-01 -6.455919847e-01 3.22 -3.330196621e-01 -5.316646977e-01 -6.258587055e-01 3.24 -3.209931441e-01 -5.144583298e-01 -6.065587913e-01 3.26 -3.094142105e-01 -4.978539588e-01 -5.876939491e-01 3.28 -2.982745703e-01 -4.818370487e-01 -5.692614713e-01 3.30 -2.875634212e-01 -4.663874002e-01 -5.512542165e-01 3.32 -2.772693271e-01 -4.514817009e-01 -5.336647989e-01 3.34 -2.673869574e-01 -4.371025530e-01 -5.164994827e-01 3.36 -2.579115717e-01 -4.232311218e-01 -4.997675488e-01 3.38 -2.488368693e-01 -4.098442654e-01 -4.834773757e-01 3.40 -2.401548088e-01 -3.969142854e-01 -4.676364471e-01 3.42 -2.318554220e-01 -3.844086593e-01 -4.522513357e-01 3.44 -2.239266237e-01 -3.722897590e-01 -4.373276658e-01 3.46 -2.163540164e-01 -3.605167065e-01 -4.228700582e-01 3.48 -2.091206920e-01 -3.490694368e-01 -4.088820578e-01 3.50 -2.022070301e-01 -3.379434654e-01 -3.953660471e-01 3.52 -1.955904940e-01 -3.271348117e-01 -3.823231466e-01 3.54 -1.892461635e-01 -3.166397095e-01 -3.697531042e-01 3.56 -1.831570113e-01 -3.064545837e-01 -3.576541733e-01 3.58 -1.773127532e-01 -2.965760197e-01 -3.460229833e-01 3.60 -1.717024155e-01 -2.870007274e-01 -3.348544010e-01 3.62 -1.663140649e-01 -2.777255002e-01 -3.241413853e-01 3.64 -1.611347297e-01 -2.687471698e-01 -3.138748357e-01 3.66 -1.561503209e-01 -2.600625564e-01 -3.040430294e-01 3.68 -1.513469274e-01 -2.516684165e-01 -2.946299145e-01 3.70 -1.467161676e-01 -2.435613867e-01 -2.856165806e-01 3.72 -1.422513415e-01 -2.357379255e-01 -2.769817698e-01 3.74 -1.379456607e-01 -2.281942522e-01 -2.687016878e-01 3.76 -1.337922269e-01 -2.209262841e-01 -2.607498120e-01 3.78 -1.297840101e-01 -2.139295720e-01 -2.530966960e-01 3.80 -1.259138273e-01 -2.071992336e-01 -2.457097727e-01 3.82 -1.221743732e-01 -2.007298860e-01 -2.385537326e-01 3.84 -1.185595843e-01 -1.945155770e-01 -2.316053410e-01 3.86 -1.150649436e-01 -1.885497149e-01 -2.248567773e-01 3.88 -1.116861622e-01 -1.828249977e-01 -2.183013904e-01 3.90 -1.084191050e-01 -1.773333419e-01 -2.119329235e-01 3.92 -1.052597855e-01 -1.720658095e-01 -2.057455003e-01 3.94 -1.022043616e-01 -1.670125358e-01 -1.997336094e-01 3.96 -9.924913092e-02 -1.621626556e-01 -1.938920883e-01 3.98 -9.639052603e-02 -1.575042300e-01 -1.882161067e-01 4.00 -9.362511031e-02 -1.530241714e-01 -1.827011491e-01 4.02 -9.094957338e-02 -1.487081698e-01 -1.773429964e-01 4.04 -8.836072676e-02 -1.445406180e-01 -1.721377078e-01 4.06 -8.585549974e-02 -1.405063057e-01 -1.670816016e-01 4.08 -8.343093515e-02 -1.365981407e-01 -1.621712359e-01 4.10 -8.108418537e-02 -1.328119113e-01 -1.574033895e-01 4.12 -7.881250840e-02 -1.291435460e-01 -1.527750413e-01 4.14 -7.661326401e-02 -1.255891083e-01 -1.482833511e-01 4.16 -7.448391008e-02 -1.221447931e-01 -1.439256387e-01 4.18 -7.242199893e-02 -1.188069229e-01 -1.396993641e-01 4.20 -7.042517386e-02 -1.155719446e-01 -1.356021068e-01 4.22 -6.849102575e-02 -1.124364254e-01 -1.316315454e-01 4.24 -6.661606726e-02 -1.093970496e-01 -1.277854370e-01 4.26 -6.479644864e-02 -1.064506147e-01 -1.240615967e-01 4.28 -6.302859636e-02 -1.035940279e-01 -1.204578767e-01 4.30 -6.130920805e-02 -1.008243030e-01 -1.169721462e-01 4.32 -5.963524244e-02 -9.813855657e-02 -1.136022701e-01 4.34 -5.800390928e-02 -9.553400484e-02 -1.103460892e-01 4.36 -5.641265942e-02 -9.300796034e-02 -1.072013988e-01 4.38 -5.485917484e-02 -9.055782874e-02 -1.041659290e-01 4.40 -5.334135883e-02 -8.818110571e-02 -1.012373234e-01 4.42 -5.185732613e-02 -8.587537391e-02 -9.841311941e-02 4.44 -5.040539326e-02 -8.363829999e-02 -9.569072736e-02 4.46 -4.898406873e-02 -8.146763174e-02 -9.306741042e-02 4.48 -4.759204350e-02 -7.936091160e-02 -9.054026424e-02 4.50 -4.622818131e-02 -7.731467544e-02 -8.810619681e-02 4.52 -4.489150917e-02 -7.532540245e-02 -8.576190830e-02 4.54 -4.358120787e-02 -7.338980819e-02 -8.350387098e-02 4.56 -4.229660255e-02 -7.150483653e-02 -8.132830927e-02 4.58 -4.103715325e-02 -6.966765168e-02 -7.923117977e-02 4.60 -3.980244564e-02 -6.787563021e-02 -7.720815143e-02 4.62 -3.859209466e-02 -6.612635323e-02 -7.525458572e-02 4.64 -3.740490724e-02 -6.441759842e-02 -7.336551696e-02 4.66 -3.623933465e-02 -6.274733234e-02 -7.153563263e-02 4.68 -3.509406115e-02 -6.111370257e-02 -6.975946071e-02 4.70 -3.396799862e-02 -5.951503005e-02 -6.803374226e-02 4.72 -3.286027252e-02 -5.794980138e-02 -6.635685973e-02 4.74 -3.177020790e-02 -5.641666119e-02 -6.472727881e-02 4.76 -3.069731538e-02 -5.491440453e-02 -6.314351708e-02 4.78 -2.964127711e-02 -5.344196936e-02 -6.160414214e-02 4.80 -2.860193283e-02 -5.199842899e-02 -6.010776991e-02 4.82 -2.757926584e-02 -5.058298465e-02 -5.865306293e-02 4.84 -2.657338899e-02 -4.919495801e-02 -5.723872869e-02 4.86 -2.558453077e-02 -4.783378382e-02 -5.586351813e-02 4.88 -2.461302126e-02 -4.649900253e-02 -5.452622403e-02 4.90 -2.365927821e-02 -4.519025298e-02 -5.322567960e-02 4.92 -2.272379304e-02 -4.390726508e-02 -5.196075706e-02 4.94 -2.180711691e-02 -4.264985256e-02 -5.073036623e-02 4.96 -2.090984675e-02 -4.141790575e-02 -4.953345324e-02 4.98 -2.003261132e-02 -4.021138440e-02 -4.836899925e-02 5.00 -1.917605724e-02 -3.903031045e-02 -4.723601922e-02 5.02 -1.834083511e-02 -3.787476097e-02 -4.613356072e-02 5.04 -1.752758549e-02 -3.674486099e-02 -4.506070279e-02 5.06 -1.673692507e-02 -3.564077646e-02 -4.401655483e-02 5.08 -1.596943264e-02 -3.456270714e-02 -4.300025553e-02 5.10 -1.522563525e-02 -3.351087965e-02 -4.201097187e-02 5.12 -1.450599427e-02 -3.248554037e-02 -4.104789811e-02 5.14 -1.381089146e-02 -3.148694854e-02 -4.011025484e-02 5.16 -1.314060940e-02 -3.051533795e-02 -3.919724111e-02 5.18 -1.249519668e-02 -2.957023992e-02 -3.830702843e-02 5.20 -1.187446795e-02 -2.865055411e-02 -3.743687645e-02 5.22 -1.127811990e-02 -2.775526068e-02 -3.658421074e-02 5.24 -1.070572246e-02 -2.688344175e-02 -3.574666456e-02 5.26 -1.015670423e-02 -2.603427103e-02 -3.492207270e-02 5.28 -9.630338006e-03 -2.520700325e-02 -3.410846529e-02 5.30 -9.125726151e-03 -2.440096375e-02 -3.330406160e-02 5.32 -8.641786106e-03 -2.361553800e-02 -3.250726388e-02 5.34 -8.177235821e-03 -2.285016111e-02 -3.171665118e-02 5.36 -7.730579213e-03 -2.210430738e-02 -3.093097311e-02 5.38 -7.300091622e-03 -2.137747984e-02 -3.014914374e-02 5.40 -6.883884272e-03 -2.066919974e-02 -2.937023536e-02 5.42 -6.481264464e-03 -1.997899613e-02 -2.859347229e-02 5.44 -6.092680384e-03 -1.930639534e-02 -2.781822473e-02 5.46 -5.718589192e-03 -1.865091055e-02 -2.704400259e-02 5.48 -5.359411393e-03 -1.801203131e-02 -2.627044923e-02 5.50 -5.015524480e-03 -1.738921307e-02 -2.549733535e-02 5.52 -4.687256583e-03 -1.678186668e-02 -2.472455278e-02 5.54 -4.374880120e-03 -1.618934798e-02 -2.395210829e-02 5.56 -4.078605445e-03 -1.561094727e-02 -2.318011742e-02 5.58 -3.798574494e-03 -1.504587889e-02 -2.240879827e-02 5.60 -3.534854435e-03 -1.449327070e-02 -2.163846537e-02 5.62 -3.287431319e-03 -1.395215367e-02 -2.086952343e-02 5.64 -3.056203724e-03 -1.342145136e-02 -2.010246119e-02 5.66 -2.840976406e-03 -1.289996946e-02 -1.933784524e-02 5.68 -2.641453948e-03 -1.238638534e-02 -1.857631384e-02 5.70 -2.457234408e-03 -1.187923758e-02 -1.781857069e-02 5.72 -2.287802964e-03 -1.137691922e-02 -1.706537883e-02 5.74 -2.132525570e-03 -1.087836958e-02 -1.631755437e-02 5.76 -1.990642597e-03 -1.038397357e-02 -1.557596035e-02 5.78 -1.861262486e-03 -9.894333705e-03 -1.484150056e-02 5.80 -1.743355394e-03 -9.410075556e-03 -1.411511333e-02 5.82 -1.635746846e-03 -8.931843595e-03 -1.339776539e-02 5.84 -1.537111377e-03 -8.460297086e-03 -1.269044563e-02 5.86 -1.445966188e-03 -7.996105965e-03 -1.199415895e-02 5.88 -1.360664791e-03 -7.539946714e-03 -1.130992007e-02 5.90 -1.279390655e-03 -7.092498239e-03 -1.063874736e-02 5.92 -1.200374564e-03 -6.654437748e-03 -9.981656622e-03 5.94 -1.123173494e-03 -6.226436626e-03 -9.339654939e-03 5.96 -1.047905335e-03 -5.809156316e-03 -8.713734474e-03 5.98 -9.746869794e-04 -5.403244195e-03 -8.104866292e-03 6.00 -9.036320318e-04 -5.009329448e-03 -7.513994172e-03