# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Howells-C-A-Mishin-Y--Cr-Ni # implementation = 2018--Howells-C-A--Cr-Ni--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Cr Cr Cr Ni Ni Ni 0.02 9.053394675e+01 -1.587372956e+08 3.134049867e+02 0.04 9.133574745e+01 -1.492215282e+08 3.243842922e+02 0.06 9.205270195e+01 -1.400938133e+08 3.325015580e+02 0.08 9.268008596e+01 -1.313460735e+08 3.380200028e+02 0.10 9.318036193e+01 -1.229702313e+08 3.411910477e+02 0.12 9.352030952e+01 -1.149582093e+08 3.422549170e+02 0.14 9.378031547e+01 -1.073019302e+08 3.414412190e+02 0.16 9.405137772e+01 -9.999331643e+07 3.389695083e+02 0.18 9.421370712e+01 -9.302429071e+07 3.350498294e+02 0.20 9.425150491e+01 -8.638677560e+07 3.298832443e+02 0.22 9.414126476e+01 -8.007269370e+07 3.236623436e+02 0.24 9.385642864e+01 -7.407396761e+07 3.165717423e+02 0.26 9.340889083e+01 -6.838251992e+07 3.087885612e+02 0.28 9.286255973e+01 -6.299027324e+07 3.004828952e+02 0.30 9.224143529e+01 -5.788915014e+07 2.918182682e+02 0.32 9.151515063e+01 -5.307107322e+07 2.829520767e+02 0.34 9.068505487e+01 -4.852796507e+07 2.740354023e+02 0.36 8.975454412e+01 -4.425174827e+07 2.651735819e+02 0.38 8.872690450e+01 -4.023434541e+07 2.563746512e+02 0.40 8.760530447e+01 -3.646767906e+07 2.476398762e+02 0.42 8.639282262e+01 -3.294367181e+07 2.389705087e+02 0.44 8.509247460e+01 -2.965424624e+07 2.303680692e+02 0.46 8.370723558e+01 -2.659132494e+07 2.218343830e+02 0.48 8.224005844e+01 -2.374683050e+07 2.133716259e+02 0.50 8.069388914e+01 -2.111268550e+07 2.049823760e+02 0.52 7.907167840e+01 -1.868081254e+07 1.966696679e+02 0.54 7.737639159e+01 -1.644313419e+07 1.884370460e+02 0.56 7.561101709e+01 -1.439157306e+07 1.802886132e+02 0.58 7.377857301e+01 -1.251805172e+07 1.722290669e+02 0.60 7.188211300e+01 -1.081449277e+07 1.642637163e+02 0.62 6.992473154e+01 -9.272818792e+06 1.563984670e+02 0.64 6.790956940e+01 -7.884952373e+06 1.486397596e+02 0.66 6.583981939e+01 -6.642816096e+06 1.409944449e+02 0.68 6.371873337e+01 -5.538332547e+06 1.334695768e+02 0.70 6.154963052e+01 -4.563424313e+06 1.260721104e+02 0.72 5.933590597e+01 -3.710013982e+06 1.188085018e+02 0.74 5.708103921e+01 -2.970024139e+06 1.116842457e+02 0.76 5.478860530e+01 -2.335377367e+06 1.047034526e+02 0.78 5.246227898e+01 -1.797996248e+06 9.786870436e+01 0.80 5.010584139e+01 -1.349803360e+06 9.118168449e+01 0.82 4.772317816e+01 -9.827212895e+05 8.464756533e+01 0.84 4.531827758e+01 -6.886726347e+05 7.828323012e+01 0.86 4.289522203e+01 -4.595799924e+05 7.210820962e+01 0.88 4.045817699e+01 -2.873659469e+05 6.614087146e+01 0.90 3.801137824e+01 -1.639529963e+05 6.039745638e+01 0.92 3.555911992e+01 -8.126378095e+04 5.489110290e+01 0.94 3.310574674e+01 -3.122090575e+04 4.962846810e+01 0.96 3.065562671e+01 -5.746976148e+03 4.460677420e+01 0.98 2.821313136e+01 3.235394431e+03 3.981772496e+01 1.00 2.578262028e+01 3.803650320e+03 3.526151034e+01 1.02 2.346821934e+01 2.959412609e+03 3.100502546e+01 1.04 2.137663957e+01 2.317325893e+03 2.711021977e+01 1.06 1.948309007e+01 1.826110602e+03 2.356570360e+01 1.08 1.776570945e+01 1.447945176e+03 2.037156166e+01 1.10 1.620540986e+01 1.155011889e+03 1.751970863e+01 1.12 1.478548107e+01 9.267262553e+02 1.498669873e+01 1.14 1.349125703e+01 7.477655693e+02 1.274042947e+01 1.16 1.230983417e+01 6.066574789e+02 1.075413317e+01 1.18 1.122983266e+01 4.947634536e+02 9.013696306e+00 1.20 1.024119352e+01 4.055424151e+02 7.505610970e+00 1.22 9.335005658e+00 3.340142929e+02 6.212417818e+00 1.24 8.503358156e+00 2.763670655e+02 5.113669910e+00 1.26 7.739213560e+00 2.296673603e+02 4.187307242e+00 1.28 7.036299083e+00 1.916461983e+02 3.411082427e+00 1.30 6.389012852e+00 1.605395662e+02 2.763778972e+00 1.32 5.792342944e+00 1.349691934e+02 2.226045683e+00 1.34 5.241797283e+00 1.138529627e+02 1.780784084e+00 1.36 4.733342817e+00 9.633725938e+01 1.413143763e+00 1.38 4.263352603e+00 8.174563179e+01 1.110246325e+00 1.40 3.828559684e+00 6.953963285e+01 8.607758613e-01 1.42 3.426016797e+00 5.928880001e+01 6.545738965e-01 1.44 3.053061085e+00 5.064753552e+01 4.823012615e-01 1.46 2.707283161e+00 4.333721858e+01 3.351752403e-01 1.48 2.386499896e+00 3.713231266e+01 2.047723082e-01 1.50 2.088730471e+00 3.184953378e+01 8.280696651e-02 1.52 1.812175242e+00 2.733915772e+01 -7.478423383e-03 1.54 1.555197057e+00 2.347736996e+01 -9.650816332e-02 1.56 1.316304719e+00 2.016179381e+01 -1.843475416e-01 1.58 1.094138319e+00 1.730774178e+01 -2.708581066e-01 1.60 8.874562109e-01 1.484490254e+01 -3.559076796e-01 1.62 6.951234084e-01 1.271469307e+01 -4.393704542e-01 1.64 5.161012700e-01 1.086813454e+01 -5.211270673e-01 1.66 3.494382697e-01 9.264141529e+00 -6.010646379e-01 1.68 1.942617648e-01 7.868139280e+00 -6.790767868e-01 1.70 4.977061983e-02 6.650941855e+00 -7.550637366e-01 1.72 -8.477139985e-02 5.587838703e+00 -8.289323788e-01 1.74 -2.100415565e-01 4.657848250e+00 -9.005962863e-01 1.76 -3.266634714e-01 3.843105898e+00 -9.699757425e-01 1.78 -4.352119167e-01 3.128360534e+00 -1.036997734e+00 1.80 -5.362171346e-01 2.500558942e+00 -1.101595942e+00 1.82 -6.301687350e-01 1.948501636e+00 -1.163710770e+00 1.84 -7.175192094e-01 1.462556993e+00 -1.223289320e+00 1.86 -7.986871145e-01 1.034423088e+00 -1.280285361e+00 1.88 -8.740599494e-01 6.569285350e-01 -1.334659271e+00 1.90 -9.439967638e-01 3.238655994e-01 -1.386377967e+00 1.92 -1.008830525e+00 2.985010097e-02 -1.435414868e+00 1.94 -1.068870264e+00 -2.297967414e-01 -1.481749809e+00 1.96 -1.124403032e+00 -4.591481931e-01 -1.525368965e+00 1.98 -1.175695675e+00 -6.617565929e-01 -1.566264695e+00 2.00 -1.222996457e+00 -8.407251835e-01 -1.604435423e+00 2.02 -1.266536530e+00 -9.987692712e-01 -1.639885553e+00 2.04 -1.306531289e+00 -1.138268354e+00 -1.672625330e+00 2.06 -1.343181597e+00 -1.261310758e+00 -1.702670692e+00 2.08 -1.376674915e+00 -1.369732101e+00 -1.730043015e+00 2.10 -1.407186331e+00 -1.465147993e+00 -1.754768998e+00 2.12 -1.434879501e+00 -1.548982189e+00 -1.776880507e+00 2.14 -1.459907520e+00 -1.622490984e+00 -1.796414399e+00 2.16 -1.482413716e+00 -1.686784324e+00 -1.813412227e+00 2.18 -1.502532382e+00 -1.742844057e+00 -1.827920002e+00 2.20 -1.520389442e+00 -1.791539621e+00 -1.839988061e+00 2.22 -1.536103071e+00 -1.833641715e+00 -1.849670863e+00 2.24 -1.549784264e+00 -1.869834290e+00 -1.857026698e+00 2.26 -1.561537365e+00 -1.900725096e+00 -1.862117308e+00 2.28 -1.571460562e+00 -1.926854570e+00 -1.865007775e+00 2.30 -1.579646322e+00 -1.948703693e+00 -1.865766317e+00 2.32 -1.586181803e+00 -1.966700949e+00 -1.864464008e+00 2.34 -1.591149232e+00 -1.981228533e+00 -1.861174294e+00 2.36 -1.594626265e+00 -1.992627580e+00 -1.855972865e+00 2.38 -1.596686317e+00 -2.001202718e+00 -1.848937488e+00 2.40 -1.597398858e+00 -2.007226254e+00 -1.840147757e+00 2.42 -1.596829692e+00 -2.010941686e+00 -1.829684536e+00 2.44 -1.595041210e+00 -2.012566940e+00 -1.817629778e+00 2.46 -1.592092650e+00 -2.012297137e+00 -1.804066438e+00 2.48 -1.588040331e+00 -2.010307182e+00 -1.789078269e+00 2.50 -1.582937829e+00 -2.006753703e+00 -1.772749235e+00 2.52 -1.576836184e+00 -2.001777029e+00 -1.755163202e+00 2.54 -1.569784140e+00 -1.995502953e+00 -1.736404016e+00 2.56 -1.561828315e+00 -1.988044504e+00 -1.716555343e+00 2.58 -1.553013306e+00 -1.979502836e+00 -1.695700143e+00 2.60 -1.543381828e+00 -1.969968084e+00 -1.673920167e+00 2.62 -1.532974882e+00 -1.959520988e+00 -1.651296175e+00 2.64 -1.521831864e+00 -1.948234121e+00 -1.627907876e+00 2.66 -1.509990658e+00 -1.936172457e+00 -1.603833583e+00 2.68 -1.497487766e+00 -1.923392839e+00 -1.579149241e+00 2.70 -1.484358454e+00 -1.909945808e+00 -1.553928933e+00 2.72 -1.470636756e+00 -1.895876571e+00 -1.528244982e+00 2.74 -1.456355699e+00 -1.881225940e+00 -1.502167792e+00 2.76 -1.441547541e+00 -1.866028500e+00 -1.475765057e+00 2.78 -1.426243630e+00 -1.850313637e+00 -1.449101865e+00 2.80 -1.410474474e+00 -1.834107355e+00 -1.422240699e+00 2.82 -1.394269855e+00 -1.817433322e+00 -1.395241950e+00 2.84 -1.377658854e+00 -1.800312087e+00 -1.368163243e+00 2.86 -1.360669930e+00 -1.782758825e+00 -1.341057288e+00 2.88 -1.343331008e+00 -1.764786430e+00 -1.313973814e+00 2.90 -1.325669431e+00 -1.746405889e+00 -1.286960637e+00 2.92 -1.307712612e+00 -1.727628488e+00 -1.260062547e+00 2.94 -1.289487810e+00 -1.708462258e+00 -1.233321631e+00 2.96 -1.271021897e+00 -1.688908237e+00 -1.206778891e+00 2.98 -1.252341541e+00 -1.668967261e+00 -1.180472322e+00 3.00 -1.233473289e+00 -1.648641473e+00 -1.154434947e+00 3.02 -1.214443592e+00 -1.627933375e+00 -1.128700176e+00 3.04 -1.195278636e+00 -1.606845914e+00 -1.103296901e+00 3.06 -1.176005041e+00 -1.585379627e+00 -1.078239760e+00 3.08 -1.156650123e+00 -1.563535645e+00 -1.053539075e+00 3.10 -1.137241107e+00 -1.541318124e+00 -1.029211698e+00 3.12 -1.117805364e+00 -1.518732242e+00 -1.005268119e+00 3.14 -1.098370877e+00 -1.495785102e+00 -9.817148330e-01 3.16 -1.078965759e+00 -1.472487877e+00 -9.585666289e-01 3.18 -1.059618112e+00 -1.448846624e+00 -9.358577624e-01 3.20 -1.040356916e+00 -1.424870248e+00 -9.136173172e-01 3.22 -1.021211478e+00 -1.400585528e+00 -8.918452817e-01 3.24 -1.002210988e+00 -1.376007208e+00 -8.705602490e-01 3.26 -9.833851558e-01 -1.351147292e+00 -8.497840184e-01 3.28 -9.647638720e-01 -1.326025520e+00 -8.295196576e-01 3.30 -9.463766493e-01 -1.300724745e+00 -8.096985462e-01 3.32 -9.282523428e-01 -1.275337163e+00 -7.902442472e-01 3.34 -9.104189356e-01 -1.249920726e+00 -7.711112264e-01 3.36 -8.929035807e-01 -1.224472554e+00 -7.523076193e-01 3.38 -8.757314766e-01 -1.199059567e+00 -7.337835539e-01 3.40 -8.589255236e-01 -1.173746932e+00 -7.154919164e-01 3.42 -8.425072500e-01 -1.148580817e+00 -6.973915592e-01 3.44 -8.264938085e-01 -1.123472815e+00 -6.795551608e-01 3.46 -8.108973623e-01 -1.098281619e+00 -6.621265299e-01 3.48 -7.957283005e-01 -1.072892179e+00 -6.452270014e-01 3.50 -7.809898638e-01 -1.047239894e+00 -6.289148506e-01 3.52 -7.666769020e-01 -1.021370264e+00 -6.130904791e-01 3.54 -7.527826172e-01 -9.952357624e-01 -5.978135961e-01 3.56 -7.392906995e-01 -9.687919888e-01 -5.831506487e-01 3.58 -7.261715466e-01 -9.420107697e-01 -5.691526275e-01 3.60 -7.133949407e-01 -9.148881124e-01 -5.558510091e-01 3.62 -7.009228210e-01 -8.875199673e-01 -5.431028117e-01 3.64 -6.886994142e-01 -8.600431757e-01 -5.306457080e-01 3.66 -6.766677701e-01 -8.325796539e-01 -5.182606342e-01 3.68 -6.647711558e-01 -8.052363827e-01 -5.057713346e-01 3.70 -6.529147987e-01 -7.781090111e-01 -4.930396887e-01 3.72 -6.410050148e-01 -7.512502737e-01 -4.800633494e-01 3.74 -6.289596941e-01 -7.246913747e-01 -4.669135404e-01 3.76 -6.166946340e-01 -6.984921173e-01 -4.535162094e-01 3.78 -6.041240847e-01 -6.726926413e-01 -4.398191875e-01 3.80 -5.911832340e-01 -6.473337653e-01 -4.257911041e-01 3.82 -5.778262732e-01 -6.224452422e-01 -4.114183945e-01 3.84 -5.640142822e-01 -5.980828559e-01 -3.967025654e-01 3.86 -5.497253834e-01 -5.743039947e-01 -3.816493727e-01 3.88 -5.349992870e-01 -5.511256895e-01 -3.662851905e-01 3.90 -5.198190689e-01 -5.285815958e-01 -3.507624442e-01 3.92 -5.044455134e-01 -5.066166318e-01 -3.352243757e-01 3.94 -4.893809676e-01 -4.851122459e-01 -3.197903671e-01 3.96 -4.747083201e-01 -4.640464983e-01 -3.045588572e-01 3.98 -4.607184360e-01 -4.433597552e-01 -2.896099887e-01 4.00 -4.476166950e-01 -4.230025340e-01 -2.750079987e-01 4.02 -4.346066064e-01 -4.031473035e-01 -2.608033731e-01 4.04 -4.206532576e-01 -3.840496357e-01 -2.470347768e-01 4.06 -4.054347980e-01 -3.657327097e-01 -2.337307780e-01 4.08 -3.886480572e-01 -3.482531669e-01 -2.208629876e-01 4.10 -3.698686884e-01 -3.317509307e-01 -2.082862532e-01 4.12 -3.490352202e-01 -3.162550579e-01 -1.960321879e-01 4.14 -3.269081269e-01 -3.013981140e-01 -1.841394336e-01 4.16 -3.042946645e-01 -2.867858875e-01 -1.726375110e-01 4.18 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