# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Mendelev-M-I--Ni-Co-Cr # implementation = 2024--Mendelev-M-I--Ni-Co-Cr--LAMMPS--ipr1 # composition = Co # 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 2024-11-27 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 nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 1.508961307e+04 nan 0.78 nan nan nan nan nan nan nan nan 1.364029913e+04 nan 0.80 nan nan nan nan nan nan nan nan 1.233632013e+04 nan 0.82 nan nan nan nan nan 9.224774450e+03 nan nan 1.116017696e+04 nan 0.84 nan nan nan nan nan 8.303830856e+03 nan nan 1.009618876e+04 nan 0.86 nan nan nan nan nan 7.469786563e+03 nan nan 9.131404700e+03 nan 0.88 nan nan nan nan nan 6.712750021e+03 nan nan 8.254797686e+03 nan 0.90 nan nan nan nan nan 6.024139738e+03 nan nan 7.456793720e+03 nan 0.92 nan nan nan 1.625871081e+04 1.625851873e+04 5.396460715e+03 nan nan 6.729022952e+03 1.031034881e+04 0.94 nan 9.400856619e+03 nan 1.498045717e+04 1.498027154e+04 4.823143025e+03 9.595206073e+03 nan 6.064113748e+03 9.412598754e+03 0.96 nan 8.577391315e+03 nan 1.380970983e+04 1.380960950e+04 4.298433147e+03 8.761049308e+03 nan 5.455552141e+03 8.590749291e+03 0.98 nan 7.820961137e+03 nan 1.273541766e+04 1.273544131e+04 3.817207974e+03 7.995304288e+03 nan 4.897574849e+03 7.837073507e+03 1.00 nan 7.125103219e+03 nan 1.174787670e+04 1.174801808e+04 3.374953703e+03 7.291289391e+03 nan 4.385091394e+03 7.144746012e+03 1.02 nan 6.483885590e+03 nan 1.083720373e+04 1.083742865e+04 2.967324786e+03 6.642649388e+03 nan 3.913267008e+03 6.507081452e+03 1.04 nan 5.892070384e+03 8.849220439e+03 9.994983575e+03 9.995245844e+03 2.590652567e+03 6.043849191e+03 9.191574578e+03 3.477891903e+03 5.918321730e+03 1.06 9.214886853e+03 5.345183272e+03 8.133140809e+03 9.215149224e+03 9.215398072e+03 2.242169228e+03 5.490405813e+03 8.456616368e+03 3.075589580e+03 5.374027768e+03 1.08 8.491994414e+03 4.839232784e+03 7.469684828e+03 8.492201161e+03 8.492400180e+03 1.919405413e+03 4.978281098e+03 7.775500343e+03 2.703371536e+03 4.870172508e+03 1.10 7.821097961e+03 4.370639382e+03 6.854360572e+03 7.821228065e+03 7.821363602e+03 1.620136362e+03 4.503835160e+03 7.143582662e+03 2.358568862e+03 4.403137359e+03 1.12 7.197788358e+03 3.936178006e+03 6.283124236e+03 7.197848119e+03 7.197929174e+03 1.342357853e+03 4.063787450e+03 6.556698479e+03 2.038786724e+03 3.969693331e+03 1.14 6.618102564e+03 3.532944545e+03 5.752293612e+03 6.618118322e+03 6.618159675e+03 1.084228363e+03 3.655171565e+03 6.011109427e+03 1.741853139e+03 3.566956031e+03 1.16 6.078486250e+03 3.158308145e+03 5.258526475e+03 6.078480823e+03 6.078492131e+03 8.440791392e+02 3.275312435e+03 5.503449036e+03 1.465802076e+03 3.192341199e+03 1.18 5.575737979e+03 2.809871014e+03 4.798793128e+03 5.575721053e+03 5.575707622e+03 6.295174055e+02 2.921795537e+03 5.030665400e+03 1.208872209e+03 2.843531196e+03 1.20 5.106946063e+03 2.485448906e+03 4.370334312e+03 5.106923239e+03 5.106890324e+03 4.699925998e+02 2.592435184e+03 4.589983088e+03 9.694805973e+02 2.518431312e+03 1.22 4.669455319e+03 2.183062792e+03 3.970650273e+03 4.669427953e+03 4.669382038e+03 3.534863001e+02 2.285251810e+03 4.178874327e+03 7.461989742e+02 2.215143151e+03 1.24 4.260833910e+03 1.900916032e+03 3.597472120e+03 4.260799040e+03 4.260746414e+03 2.679052210e+02 1.998462635e+03 3.795016864e+03 5.544924023e+02 1.931936806e+03 1.26 3.878849445e+03 1.637380384e+03 3.248727638e+03 3.878808387e+03 3.878755999e+03 2.046528551e+02 1.730449624e+03 3.436280310e+03 4.134369809e+02 1.667237452e+03 1.28 3.521471012e+03 1.390980289e+03 2.922518391e+03 3.521427525e+03 3.521379929e+03 1.575944362e+02 1.479717927e+03 3.100725110e+03 3.096070137e+02 1.419617416e+03 1.30 3.186842250e+03 1.160371414e+03 2.617109560e+03 3.186798845e+03 3.186758072e+03 1.223368470e+02 1.244911922e+03 2.786576631e+03 2.328863538e+02 1.187764989e+03 1.32 2.873238296e+03 9.443263000e+02 2.330915163e+03 2.873196386e+03 2.873164684e+03 9.572339843e+01 1.024802837e+03 2.492192417e+03 1.759703904e+02 9.704412073e+02 1.34 2.579071374e+03 7.417216087e+02 2.062482293e+03 2.579034461e+03 2.579015233e+03 7.547510334e+01 8.182753732e+02 2.216066069e+03 1.335697451e+02 7.665241565e+02 1.36 2.302878272e+03 5.611733950e+02 1.810482933e+03 2.302856847e+03 2.302854519e+03 5.994141906e+01 6.270070342e+02 1.956820759e+03 1.018419924e+02 5.837480802e+02 1.38 2.043322947e+03 4.240915176e+02 1.573704698e+03 2.043329236e+03 2.043347850e+03 4.792274802e+01 4.759999058e+02 1.713205719e+03 7.798750542e+01 4.442155937e+02 1.40 1.799190311e+03 3.210090658e+02 1.351032026e+03 1.799230820e+03 1.799272542e+03 3.854103675e+01 3.621140621e+02 1.484083371e+03 5.996201789e+01 3.388927193e+02 1.42 1.569373838e+03 2.433491433e+02 1.141435367e+03 1.569446638e+03 1.569510010e+03 3.114804070e+01 2.760267915e+02 1.268413780e+03 4.626766905e+01 2.591775211e+02 1.44 1.352863598e+03 1.847367512e+02 9.439676106e+02 1.352958283e+03 1.353036876e+03 2.526149629e+01 2.108064035e+02 1.065242673e+03 3.580344197e+01 1.986800291e+02 1.46 1.148730880e+03 1.404210784e+02 7.577652039e+02 1.148833196e+03 1.148917218e+03 2.052385655e+01 1.612890566e+02 8.736928231e+02 2.775973613e+01 1.526390068e+02 1.48 9.561204847e+02 1.068569395e+02 5.875631790e+02 9.562165980e+02 9.562959602e+02 1.667211186e+01 1.236097530e+02 6.929568440e+02 2.154060822e+01 1.174986535e+02 1.50 7.742444712e+02 8.139122404e+01 4.540338015e+02 7.743233555e+02 7.743902130e+02 1.351278546e+01 9.486967883e+01 5.362000701e+02 1.669929930e+01 9.059952783e+01 1.52 6.058045986e+02 6.202694976e+01 3.512693988e+02 6.058578856e+02 6.059059733e+02 1.090151793e+01 7.289269625e+01 4.153413929e+02 1.289859558e+01 6.994740608e+01 1.54 4.713019005e+02 4.726742149e+01 2.720623613e+02 4.713295569e+02 4.713579636e+02 8.729816598e+00 5.604222264e+01 3.220668309e+02 9.887776278e+00 5.404193566e+01 1.56 3.670586640e+02 3.598901422e+01 2.109277933e+02 3.670647744e+02 3.670760948e+02 6.915079502e+00 4.308527835e+01 2.499657484e+02 7.480607231e+00 4.175208705e+01 1.58 2.861440568e+02 2.734679077e+01 1.636846201e+02 2.861318575e+02 2.861284837e+02 5.393289333e+00 3.309068416e+01 1.941459030e+02 5.539221157e+00 3.222360230e+01 1.60 2.232422997e+02 2.070430255e+01 1.271274174e+02 2.232153456e+02 2.232001909e+02 4.113598184e+00 2.535499676e+01 1.508662630e+02 3.960930989e+00 2.480853704e+01 1.62 1.742688594e+02 1.558284414e+01 9.879591679e+01 1.742322843e+02 1.742091211e+02 3.034236581e+00 1.934610421e+01 1.172623184e+02 2.668150369e+00 1.901390900e+01 1.64 1.360851010e+02 1.162091903e+01 7.680326969e+01 1.360451002e+02 1.360178107e+02 2.120676795e+00 1.466051235e+01 9.113824292e+01 1.601716018e+00 1.446651251e+01 1.66 1.062762264e+02 8.537360052e+00 5.970204758e+01 1.062385644e+02 1.062103400e+02 1.344912742e+00 1.099159000e+01 7.080662263e+01 7.162076765e-01 1.088413847e+01 1.68 8.297898424e+01 6.120746681e+00 4.638000416e+01 8.294750978e+01 8.292065888e+01 6.837799821e-01 8.105686926e+00 5.496843828e+01 -2.376034825e-02 8.051927199e+00 1.70 6.475324465e+01 4.212446682e+00 3.598037649e+01 6.472922965e+01 6.470518592e+01 1.173536298e-01 5.824738708e+00 4.262195893e+01 -6.454363590e-01 5.805567493e+00 1.72 5.048312899e+01 2.692785792e+00 2.784240602e+01 5.046643600e+01 5.044605456e+01 -3.712898185e-01 4.014120055e+00 3.299288471e+01 -1.169231885e+00 4.018396065e+00 1.74 3.930299602e+01 1.471586718e+00 2.145862727e+01 3.929295510e+01 3.927673059e+01 -7.939207088e-01 2.569664554e+00 2.548174526e+01 -1.609907399e+00 2.592888076e+00 1.76 3.054085896e+01 4.808356484e-01 1.643972515e+01 3.053632554e+01 3.052435866e+01 -1.158405594e+00 1.411676856e+00 1.962460312e+01 -1.978631527e+00 1.454240721e+00 1.78 2.367397826e+01 -3.314070285e-01 1.248621501e+01 2.367343778e+01 2.366553161e+01 -1.470785621e+00 4.796449909e-01 1.505662123e+01 -2.284945189e+00 5.447848963e-01 1.80 1.829448345e+01 -1.004659088e+00 9.367296225e+00 1.829631898e+01 1.829219655e+01 -1.735957558e+00 -2.727609666e-01 1.148447722e+01 -2.537629735e+00 -1.802234742e-01 1.82 1.408588493e+01 -1.567975936e+00 6.906585535e+00 1.408903948e+01 1.408856920e+01 -1.957199222e+00 -8.802264230e-01 8.681309701e+00 -2.744268789e+00 -7.540568946e-01 1.84 1.078685297e+01 -2.043851650e+00 4.959145620e+00 1.079147342e+01 1.079484027e+01 -2.141689148e+00 -1.373985526e+00 6.467971993e+00 -2.914830176e+00 -1.208787607e+00 1.86 8.185824648e+00 -2.449663981e+00 3.407032743e+00 8.192776631e+00 8.200225800e+00 -2.297977034e+00 -1.781380379e+00 4.704569323e+00 -3.059302626e+00 -1.573595288e+00 1.88 6.119973033e+00 -2.798235956e+00 2.158519094e+00 6.129955333e+00 6.141331096e+00 -2.432718505e+00 -2.123886652e+00 3.284554210e+00 -3.184999904e+00 -1.871239807e+00 1.90 4.464178276e+00 -3.099239171e+00 1.142679566e+00 4.477346591e+00 4.491975813e+00 -2.551200497e+00 -2.418141163e+00 2.127040272e+00 -3.296356119e+00 -2.119539477e+00 1.92 3.122530289e+00 -3.360169817e+00 3.051298175e-01 3.138323353e+00 3.155209883e+00 -2.657532916e+00 -2.676376248e+00 1.170540164e+00 -3.395954016e+00 -2.332396303e+00 1.94 2.021553084e+00 -3.586965866e+00 -3.957469781e-01 2.038767438e+00 2.056828538e+00 -2.753825329e+00 -2.906481239e+00 3.681963429e-01 -3.485501226e+00 -2.520773495e+00 1.96 1.104903412e+00 -3.784305109e+00 -9.908390623e-01 1.122277007e+00 1.140603212e+00 -2.838208287e+00 -3.113309635e+00 -3.154044881e-01 -3.566257393e+00 -2.693500976e+00 1.98 3.296119345e-01 -3.955759182e+00 -1.502813564e+00 3.462836363e-01 3.642441728e-01 -2.908440131e+00 -3.299977922e+00 -9.064352777e-01 -3.639338734e+00 -2.857449022e+00 2.00 -3.361998951e-01 -4.104067465e+00 -1.948252033e+00 -3.205854079e-01 -3.033855617e-01 -2.969388389e+00 -3.468530128e+00 -1.423710604e+00 -3.705416940e+00 -3.016283651e+00 2.02 -9.154857710e-01 -4.231347123e+00 -2.339117687e+00 -9.010516059e-01 -8.849504693e-01 -3.026943567e+00 -3.620315132e+00 -1.880485161e+00 -3.763591469e+00 -3.170510198e+00 2.04 -1.424799341e+00 -4.339321899e+00 -2.684035687e+00 -1.411816310e+00 -1.397326507e+00 -3.083153209e+00 -3.756237946e+00 -2.286316021e+00 -3.809809145e+00 -3.319270099e+00 2.06 -1.876105265e+00 -4.429604264e+00 -2.989482415e+00 -1.865050168e+00 -1.852835633e+00 -3.137363411e+00 -3.877020448e+00 -2.648263109e+00 -3.841715401e+00 -3.461160685e+00 2.08 -2.278005483e+00 -4.503824763e+00 -3.260541489e+00 -2.269446844e+00 -2.260168542e+00 -3.187797760e+00 -3.983357443e+00 -2.971410237e+00 -3.864420086e+00 -3.594646030e+00 2.10 -2.636702973e+00 -4.563617036e+00 -3.501395798e+00 -2.631157807e+00 -2.625367781e+00 -3.233296317e+00 -4.076072528e+00 -3.259394074e+00 -3.883174695e+00 -3.718350984e+00 2.12 -2.956794183e+00 -4.610750648e+00 -3.715405045e+00 -2.954622410e+00 -2.952690766e+00 -3.273368894e+00 -4.156104519e+00 -3.515029429e+00 -3.899681130e+00 -3.831276874e+00 2.14 -3.241940271e+00 -4.646841231e+00 -3.905050757e+00 -3.243307661e+00 -3.245360993e+00 -3.307758209e+00 -4.224280347e+00 -3.740824222e+00 -3.913231109e+00 -3.932957542e+00 2.16 -3.495492016e+00 -4.673328491e+00 -4.072127479e+00 -3.500299173e+00 -3.506130740e+00 -3.336306592e+00 -4.281433596e+00 -3.939338384e+00 -3.922234503e+00 -4.023664135e+00 2.18 -3.720614038e+00 -4.691547295e+00 -4.218050888e+00 -3.728460476e+00 -3.737493526e+00 -3.358934287e+00 -4.328557378e+00 -4.113023563e+00 -3.925810892e+00 -4.104178457e+00 2.20 -3.919774122e+00 -4.702072053e+00 -4.344022297e+00 -3.930089153e+00 -3.941531619e+00 -3.375618983e+00 -4.366680410e+00 -4.263925403e+00 -3.923941222e+00 -4.174622213e+00 2.22 -4.094940827e+00 -4.703706471e+00 -4.451150381e+00 -4.107075926e+00 -4.120067476e+00 -3.386409376e+00 -4.396105023e+00 -4.393783625e+00 -3.917084436e+00 -4.233734082e+00 2.24 -4.247860339e+00 -4.693341779e+00 -4.540554553e+00 -4.261105729e+00 -4.274815820e+00 -3.391430866e+00 -4.414984893e+00 -4.504179640e+00 -3.905890771e+00 -4.278015950e+00 2.26 -4.380166241e+00 -4.671783694e+00 -4.613449305e+00 -4.393775886e+00 -4.407472313e+00 -3.390885070e+00 -4.420451976e+00 -4.596546862e+00 -3.890946512e+00 -4.305404001e+00 2.28 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