# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1988--Kaxiras-E-Pandey-K-C--Si # implementation = ThreeBodyCluster_KP_KaxirasPandey_1988_Si__MO_072486242437_000 # composition = Si # 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 nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan 1.655862048e+03 nan nan nan nan 0.86 nan nan nan nan nan 1.441309053e+03 nan nan nan nan 0.88 nan nan nan nan nan 1.256265712e+03 nan nan 1.670386516e+03 nan 0.90 nan nan nan nan nan 1.099986857e+03 nan nan 1.463153471e+03 nan 0.92 nan nan nan nan nan 9.675477753e+02 nan nan 1.282123171e+03 nan 0.94 nan nan nan nan nan 8.433044475e+02 nan nan 1.129796382e+03 nan 0.96 nan 1.771608889e+03 nan nan nan 7.427505627e+02 nan nan 9.932701402e+02 nan 0.98 nan 1.567240004e+03 nan nan nan 6.565691441e+02 1.608693465e+03 nan 8.780692736e+02 1.565594452e+03 1.00 nan 1.391560993e+03 nan nan nan 5.809675708e+02 1.427658004e+03 nan 7.779635257e+02 1.393229402e+03 1.02 nan 1.236102278e+03 nan nan nan 5.152836812e+02 1.272590701e+03 nan 6.920538278e+02 1.237195022e+03 1.04 nan 1.103623722e+03 nan nan nan 4.591394989e+02 1.133276722e+03 nan 6.152871679e+02 1.098593732e+03 1.06 nan 9.825794617e+02 1.650423714e+03 nan nan 4.078933202e+02 1.011919941e+03 1.737032386e+03 5.493991113e+02 9.806351004e+02 1.08 1.746541304e+03 8.820941685e+02 1.479669116e+03 1.746421446e+03 1.747005732e+03 3.632249219e+02 9.052424630e+02 1.554325410e+03 4.898059720e+02 8.729444971e+02 1.10 1.570759691e+03 7.877545672e+02 1.324171298e+03 1.568515690e+03 1.569028502e+03 3.243385775e+02 8.121695358e+02 1.392052952e+03 4.387655739e+02 7.829302481e+02 1.12 1.407980149e+03 7.095266489e+02 1.191884818e+03 1.412310779e+03 1.413348406e+03 2.899325480e+02 7.268919532e+02 1.254144061e+03 3.928999372e+02 7.047926484e+02 1.14 1.270968596e+03 6.364306920e+02 1.072836578e+03 1.269323667e+03 1.269049639e+03 2.584947360e+02 6.526755031e+02 1.130854141e+03 3.518361871e+02 6.338657939e+02 1.16 1.144694662e+03 5.743357330e+02 9.655474903e+02 1.143914586e+03 1.144314941e+03 2.321972995e+02 5.876012817e+02 1.019526992e+03 3.158670525e+02 5.724120809e+02 1.18 1.034734111e+03 5.196079805e+02 8.728649795e+02 1.033687272e+03 1.034015023e+03 2.081343361e+02 5.317760034e+02 9.198532990e+02 2.841232330e+02 5.156605562e+02 1.20 9.388623910e+02 4.680081763e+02 7.914447898e+02 9.370444241e+02 9.363009166e+02 1.869429219e+02 4.804850220e+02 8.323753032e+02 2.559053480e+02 4.667787911e+02 1.22 8.490039932e+02 4.238846765e+02 7.188815213e+02 8.473995646e+02 8.468213875e+02 1.682534584e+02 4.347441267e+02 7.549216842e+02 2.302405490e+02 4.203637116e+02 1.24 7.704447067e+02 3.835857638e+02 6.536173311e+02 7.707269154e+02 7.708003734e+02 1.514823557e+02 3.935351306e+02 6.853601464e+02 2.080002229e+02 3.802187847e+02 1.26 7.019208347e+02 3.468333618e+02 5.901766614e+02 7.013056331e+02 7.013885334e+02 1.353528933e+02 3.564302341e+02 6.205994085e+02 1.870965832e+02 3.454685290e+02 1.28 6.350985717e+02 3.154797263e+02 5.349331756e+02 6.369074378e+02 6.371606115e+02 1.207631544e+02 3.239437984e+02 5.645712407e+02 1.691562698e+02 3.129148746e+02 1.30 5.780677866e+02 2.874121199e+02 4.886279324e+02 5.796135535e+02 5.798427622e+02 1.090433062e+02 2.949368374e+02 5.143300767e+02 1.533087897e+02 2.831277324e+02 1.32 5.288466781e+02 2.614032355e+02 4.466467081e+02 5.284955168e+02 5.286980869e+02 9.843800201e+01 2.676645039e+02 4.687804002e+02 1.389613491e+02 2.580362853e+02 1.34 4.810508356e+02 2.370098310e+02 4.043980106e+02 4.819534456e+02 4.825225746e+02 8.826549305e+01 2.435958650e+02 4.281378423e+02 1.255516878e+02 2.332461958e+02 1.36 4.410734592e+02 2.164664413e+02 3.706394416e+02 4.418129977e+02 4.422877901e+02 7.968898653e+01 2.215963471e+02 3.913459459e+02 1.138556584e+02 2.129760910e+02 1.38 4.039528972e+02 1.975489640e+02 3.394581958e+02 4.042606083e+02 4.046742397e+02 7.178028845e+01 2.016011693e+02 3.586617726e+02 1.026643566e+02 1.943388311e+02 1.40 3.709046515e+02 1.796324564e+02 3.114858322e+02 3.705088721e+02 3.702017808e+02 6.473955961e+01 1.834941969e+02 3.291095001e+02 9.283882806e+01 1.775505821e+02 1.42 3.407487888e+02 1.637087620e+02 2.859529846e+02 3.398394139e+02 3.395975629e+02 5.834091672e+01 1.679129926e+02 3.005378873e+02 8.422972703e+01 1.622391847e+02 1.44 3.109838724e+02 1.498379231e+02 2.614943503e+02 3.107196407e+02 3.105029777e+02 5.252371244e+01 1.535715117e+02 2.762306697e+02 7.624655486e+01 1.482673423e+02 1.46 2.862443443e+02 1.371477544e+02 2.393835581e+02 2.857551886e+02 2.855865744e+02 4.725721599e+01 1.405682254e+02 2.536525924e+02 6.902955773e+01 1.355108900e+02 1.48 2.635796409e+02 1.255321996e+02 2.202498085e+02 2.631978184e+02 2.630776508e+02 4.245015588e+01 1.280614458e+02 2.327009822e+02 6.223445843e+01 1.223837960e+02 1.50 2.428029632e+02 1.142440158e+02 2.027007069e+02 2.420087182e+02 2.419287993e+02 3.807257882e+01 1.172821271e+02 2.135856135e+02 5.633183648e+01 1.120061592e+02 1.52 2.237449178e+02 1.041664107e+02 1.857135800e+02 2.231144201e+02 2.230666794e+02 3.369118928e+01 1.071819449e+02 1.967536957e+02 5.099667248e+01 1.024896102e+02 1.54 2.035464303e+02 9.528165102e+01 1.710853870e+02 2.046443630e+02 2.048576739e+02 3.013139891e+01 9.806493695e+01 1.799168566e+02 4.596672831e+01 9.318969428e+01 1.56 1.879650996e+02 8.726559575e+01 1.576306540e+02 1.888874170e+02 1.890799723e+02 2.688027427e+01 8.959788939e+01 1.659475591e+02 4.142621320e+01 8.528317965e+01 1.58 1.735998230e+02 7.989313694e+01 1.452490206e+02 1.739560047e+02 1.741353508e+02 2.391080709e+01 8.183545406e+01 1.525667948e+02 3.737953145e+01 7.801501066e+01 1.60 1.595835950e+02 7.293724799e+01 1.329868978e+02 1.602703367e+02 1.606288098e+02 2.119844084e+01 7.437007548e+01 1.407907010e+02 3.368813637e+01 7.112456939e+01 1.62 1.474917731e+02 6.672739146e+01 1.212963684e+02 1.475118084e+02 1.476293851e+02 1.837586301e+01 6.802436963e+01 1.294537987e+02 3.015183751e+01 6.501350937e+01 1.64 1.363169712e+02 6.044573819e+01 1.119775117e+02 1.361514497e+02 1.362694919e+02 1.617295315e+01 6.226262307e+01 1.192786387e+02 2.702782075e+01 5.938849924e+01 1.66 1.252991312e+02 5.517621054e+01 1.033521575e+02 1.254284566e+02 1.256297090e+02 1.415607840e+01 5.694997687e+01 1.098881380e+02 2.422372393e+01 5.382668708e+01 1.68 1.158621875e+02 5.042626128e+01 9.536717218e+01 1.159810326e+02 1.161617436e+02 1.231007319e+01 5.205085564e+01 1.014507698e+02 2.165094807e+01 4.912748714e+01 1.70 1.071209812e+02 4.604100425e+01 8.771703854e+01 1.071848348e+02 1.073481991e+02 1.057418530e+01 4.753255929e+01 9.364009990e+01 1.922638152e+01 4.479286898e+01 1.72 9.902198729e+01 4.199257338e+01 8.091348133e+01 9.878432332e+01 9.892425448e+01 9.040722376e+00 4.322205254e+01 8.620920646e+01 1.699254486e+01 4.079425370e+01 1.74 9.090294188e+01 3.825526021e+01 7.460745656e+01 9.102292100e+01 9.115064742e+01 7.637651677e+00 3.934899540e+01 7.916686249e+01 1.503397869e+01 3.688718070e+01 1.76 8.404444273e+01 3.480534926e+01 6.876174722e+01 8.415692646e+01 8.427524023e+01 6.354745822e+00 3.583298523e+01 7.305054011e+01 1.317153085e+01 3.352735732e+01 1.78 7.767630372e+01 3.162096461e+01 6.334199682e+01 7.752166465e+01 7.737141857e+01 5.182607360e+00 3.242169264e+01 6.721400524e+01 1.153287372e+01 3.042299693e+01 1.80 7.176244374e+01 2.848564503e+01 5.831649322e+01 7.164432346e+01 7.152954040e+01 4.112599381e+00 2.941445090e+01 6.197393682e+01 1.002926331e+01 2.755496128e+01 1.82 6.626952876e+01 2.576032156e+01 5.365596686e+01 6.618212423e+01 6.609730098e+01 3.136781451e+00 2.667855072e+01 5.710831328e+01 8.650351948e+00 2.490556139e+01 1.84 6.047360772e+01 2.321765840e+01 4.878959230e+01 6.075908519e+01 6.081738116e+01 2.147689827e+00 2.411927335e+01 5.220909312e+01 7.386584754e+00 2.211993276e+01 1.86 5.584249787e+01 2.095313648e+01 4.486739798e+01 5.609457044e+01 5.615540374e+01 1.357003122e+00 2.171860157e+01 4.807390457e+01 6.202293378e+00 1.991654566e+01 1.88 5.153022597e+01 1.886030872e+01 4.122189135e+01 5.175357318e+01 5.181630271e+01 6.373129442e-01 1.947322481e+01 4.422836454e+01 5.148449321e+00 1.787753901e+01 1.90 4.751488092e+01 1.692683646e+01 3.783374262e+01 4.771354832e+01 4.777763906e+01 -1.662436542e-02 1.750112219e+01 4.065230564e+01 4.154037258e+00 1.599132974e+01 1.92 4.377607919e+01 1.514125250e+01 3.468498965e+01 4.377903495e+01 4.384763324e+01 -6.096706482e-01 1.562099843e+01 3.732698747e+01 3.278579147e+00 1.424714126e+01 1.94 4.029486031e+01 1.349290135e+01 3.175894203e+01 4.030716153e+01 4.037586840e+01 -1.146335700e+00 1.389595300e+01 3.423499655e+01 2.478797667e+00 1.263495055e+01 1.96 3.696078629e+01 1.189504806e+01 2.879482234e+01 3.703016473e+01 3.714227967e+01 -1.593167493e+00 1.236286174e+01 3.130282268e+01 1.749044572e+00 1.105262886e+01 1.98 3.395708782e+01 1.050577109e+01 2.630899341e+01 3.402563161e+01 3.413072367e+01 -2.027728277e+00 1.094450695e+01 2.863882821e+01 1.084087246e+00 9.692571970e+00 2.00 3.115965997e+01 9.223903475e+00 2.399641022e+01 3.122729205e+01 3.132616797e+01 -2.418681545e+00 9.633019712e+00 2.600738988e+01 4.790780371e-01 8.436101961e+00 2.02 2.855458737e+01 7.999050723e+00 2.184550666e+01 2.862124892e+01 2.871461495e+01 -2.769134504e+00 8.389141729e+00 2.371564165e+01 -7.047432109e-02 7.276075002e+00 2.04 2.612890993e+01 6.918773042e+00 1.984547947e+01 2.613435717e+01 2.622107781e+01 -3.082000546e+00 7.274933030e+00 2.159804295e+01 -5.653706800e-01 6.205831918e+00 2.06 2.387055677e+01 5.863993834e+00 1.798623930e+01 2.388458535e+01 2.396715486e+01 -3.360011008e+00 6.246240785e+00 1.950260532e+01 -1.014952703e+00 5.219166435e+00 2.08 2.134082806e+01 4.959237861e+00 1.625836464e+01 2.151694873e+01 2.165278360e+01 -3.605726178e+00 5.297200381e+00 1.758127860e+01 -1.435741645e+00 4.310295172e+00 2.10 1.945261122e+01 4.125489166e+00 1.465305859e+01 1.960962238e+01 1.973328266e+01 -3.821545578e+00 4.422336943e+00 1.591351747e+01 -1.796910026e+00 3.473829356e+00 2.12 1.769018521e+01 3.357926213e+00 1.316210819e+01 1.783070761e+01 1.794379930e+01 -4.009717586e+00 3.616540742e+00 1.436028294e+01 -2.121752115e+00 2.704748193e+00 2.14 1.604582545e+01 2.652029263e+00 1.162283470e+01 1.612294172e+01 1.617766588e+01 -4.172348434e+00 2.875052323e+00 1.291435697e+01 -2.409168105e+00 1.998373852e+00 2.16 1.451225583e+01 2.003563960e+00 1.036353826e+01 1.458472883e+01 1.463908422e+01 -4.311410631e+00 2.194661714e+00 1.156895321e+01 -2.668192128e+00 1.350347995e+00 2.18 1.308262498e+01 1.408565560e+00 9.193323393e+00 1.315107452e+01 1.320502013e+01 -4.428750855e+00 1.531356357e+00 1.031769323e+01 -2.898607271e+00 7.566097894e-01 2.20 1.175048354e+01 8.633237842e-01 8.020394203e+00 1.178744859e+01 1.184142880e+01 -4.377961230e+00 9.642732676e-01 9.134609926e+00 -3.102517514e+00 2.133753400e-01 2.22 1.050976242e+01 3.643683004e-01 7.028181853e+00 1.054869899e+01 1.060213242e+01 -4.470897346e+00 4.442815822e-01 8.050483185e+00 -3.281889865e+00 -2.828815251e-01 2.24 9.354752123e+00 -9.154516959e-02 6.106259359e+00 9.395264909e+00 9.448114376e+00 -4.545853798e+00 -3.182196969e-02 7.052092526e+00 -3.438563003e+00 -7.354471894e-01 2.26 8.255828613e+00 -5.074481306e-01 5.250272478e+00 8.303251726e+00 8.355050041e+00 -4.604304960e+00 -4.670340261e-01 6.125149486e+00 -3.571989626e+00 -1.188260585e+00 2.28 7.261487467e+00 -8.861719862e-01 4.456114062e+00 7.308631931e+00 7.359838724e+00 -4.647632696e+00 -8.641574394e-01 5.265115681e+00 -3.687336246e+00 -1.552275868e+00 2.30 6.336872293e+00 -1.230360115e+00 3.719912122e+00 6.383668791e+00 6.434242075e+00 -4.677130955e+00 -1.225813410e+00 4.467724839e+00 -3.760280285e+00 -1.882929892e+00 2.32 5.477639857e+00 -1.542479364e+00 3.038018278e+00 5.499153803e+00 5.524183636e+00 -4.694010194e+00 -1.554452931e+00 3.728967864e+00 -3.843150255e+00 -2.182453036e+00 2.34 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