# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Marinica-M-C-Ventelon-L-Gilbert-M-R-et-al--W-4 # implementation = 2013--Marinica-M-C--W-4--LAMMPS--ipr1 # composition = W # 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 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 4.700098354e+03 nan 0.72 nan nan nan nan nan nan nan nan 4.109520454e+03 nan 0.74 nan nan nan nan nan nan nan nan 3.600052823e+03 nan 0.76 nan nan nan nan nan 2.869439746e+03 nan nan 3.159938622e+03 nan 0.78 nan nan nan nan nan 2.530402552e+03 nan nan 2.779240190e+03 nan 0.80 nan nan nan nan nan 2.236201016e+03 nan nan 2.448911260e+03 nan 0.82 nan nan nan nan nan 1.980486317e+03 nan nan 2.161340988e+03 nan 0.84 nan nan nan nan nan 1.757022728e+03 nan nan 1.910807574e+03 nan 0.86 nan nan nan 4.373653375e+03 4.373149563e+03 1.560791854e+03 nan nan 1.691827991e+03 2.633511837e+03 0.88 nan 2.198282265e+03 nan 3.906319728e+03 3.906236885e+03 1.388348084e+03 nan nan 1.499887233e+03 2.342269281e+03 0.90 nan 1.954632154e+03 nan 3.493977672e+03 3.494068601e+03 1.236819472e+03 2.076452847e+03 nan 1.331610278e+03 2.086685793e+03 0.92 nan 1.739500502e+03 nan 3.129703852e+03 3.129911248e+03 1.102978031e+03 1.850545944e+03 nan 1.183999742e+03 1.861588365e+03 0.94 nan 1.549340712e+03 nan 2.807167386e+03 2.807510162e+03 9.851784611e+02 1.651714414e+03 nan 1.054246445e+03 1.663188352e+03 0.96 nan 1.381231292e+03 nan 2.520472736e+03 2.520934053e+03 8.814774581e+02 1.475976878e+03 nan 9.397472804e+02 1.487957897e+03 0.98 2.264818287e+03 1.232753147e+03 1.956670497e+03 2.265259640e+03 2.265838830e+03 7.895751608e+02 1.320453117e+03 2.044866325e+03 8.386584533e+02 1.332625865e+03 1.00 2.037542705e+03 1.101459279e+03 1.757107151e+03 2.038361298e+03 2.038923466e+03 7.078804305e+02 1.182401015e+03 1.838261712e+03 7.495463093e+02 1.194827389e+03 1.02 1.835741409e+03 9.849186172e+02 1.578744420e+03 1.836383265e+03 1.836707595e+03 6.349855897e+02 1.059473617e+03 1.654214365e+03 6.706091540e+02 1.072445977e+03 1.04 1.655387266e+03 8.813584046e+02 1.419858180e+03 1.655627415e+03 1.655735660e+03 5.699245797e+02 9.501260868e+02 1.489627228e+03 6.003376764e+02 9.634174760e+02 1.06 1.493738279e+03 7.891392357e+02 1.278284380e+03 1.493586218e+03 1.493459175e+03 5.121234807e+02 8.530992711e+02 1.342332194e+03 5.376072460e+02 8.660027120e+02 1.08 1.348735675e+03 7.068258579e+02 1.152096885e+03 1.348338460e+03 1.347996399e+03 4.607407202e+02 7.667834799e+02 1.210378862e+03 4.816091228e+02 7.791632942e+02 1.10 1.218698946e+03 6.333883156e+02 1.039035441e+03 1.218013479e+03 1.217489417e+03 4.147249195e+02 6.897710761e+02 1.091813782e+03 4.316962044e+02 7.018196395e+02 1.12 1.101545589e+03 5.676496412e+02 9.374838907e+02 1.100888806e+03 1.100419199e+03 3.733964715e+02 6.208822718e+02 9.851003319e+02 3.870615057e+02 6.323971694e+02 1.14 9.956436960e+02 5.089860273e+02 8.462355580e+02 9.953454646e+02 9.951200981e+02 3.362260733e+02 5.591638347e+02 8.891612027e+02 3.471352441e+02 5.698406004e+02 1.16 8.998777455e+02 4.568177556e+02 7.643755658e+02 9.000286306e+02 9.000892406e+02 3.029206442e+02 5.038540079e+02 8.028920667e+02 3.113921897e+02 5.134165530e+02 1.18 8.140108676e+02 4.104884904e+02 6.907187559e+02 8.144241519e+02 8.146784548e+02 2.730165854e+02 4.541123763e+02 7.256834753e+02 2.793835443e+02 4.629060031e+02 1.20 7.373888918e+02 3.691981946e+02 6.243192109e+02 7.378133165e+02 7.381037428e+02 2.460945421e+02 4.092678743e+02 6.565057831e+02 2.508323844e+02 4.179576128e+02 1.22 6.684120822e+02 3.322820364e+02 5.645507543e+02 6.687915351e+02 6.690919959e+02 2.218695305e+02 3.689567187e+02 5.942535227e+02 2.253419594e+02 3.774743031e+02 1.24 6.061595065e+02 2.992533562e+02 5.109450959e+02 6.064821162e+02 6.067821211e+02 2.001814250e+02 3.326744748e+02 5.381787674e+02 2.024790124e+02 3.408597202e+02 1.26 5.499924977e+02 2.696141923e+02 4.629318478e+02 5.502167831e+02 5.504880213e+02 1.809124103e+02 3.000662581e+02 4.876505385e+02 1.820062465e+02 3.078210101e+02 1.28 4.992003907e+02 2.429311456e+02 4.196708045e+02 4.993476951e+02 4.995666594e+02 1.636460406e+02 2.708207216e+02 4.421331330e+02 1.636310288e+02 2.780423024e+02 1.30 4.532922030e+02 2.189081395e+02 3.804752199e+02 4.533655210e+02 4.535043658e+02 1.480377843e+02 2.444438412e+02 4.011913916e+02 1.471110491e+02 2.511863172e+02 1.32 4.119647393e+02 1.973298487e+02 3.450049525e+02 4.118865725e+02 4.118857688e+02 1.338842021e+02 2.205613592e+02 3.642801536e+02 1.322558990e+02 2.269621052e+02 1.34 3.747822908e+02 1.778703545e+02 3.128953300e+02 3.744794588e+02 3.742837423e+02 1.210074838e+02 1.989360746e+02 3.309064923e+02 1.188681857e+02 2.050947416e+02 1.36 3.410579778e+02 1.601778034e+02 2.837489569e+02 3.405973023e+02 3.402337357e+02 1.092881511e+02 1.793814986e+02 3.006241608e+02 1.068730574e+02 1.852591215e+02 1.38 3.103320819e+02 1.440672057e+02 2.575456162e+02 3.098960508e+02 3.094938517e+02 9.878257744e+01 1.617550090e+02 2.730823232e+02 9.619361350e+01 1.672707462e+02 1.40 2.823613085e+02 1.294914243e+02 2.341243943e+02 2.820965998e+02 2.817813033e+02 8.945873770e+01 1.459117691e+02 2.480194371e+02 8.659803977e+01 1.509962718e+02 1.42 2.569133151e+02 1.164148721e+02 2.129238928e+02 2.568186098e+02 2.566253042e+02 8.107443228e+01 1.315941314e+02 2.251556646e+02 7.793683013e+01 1.362939543e+02 1.44 2.337255102e+02 1.046367135e+02 1.935633424e+02 2.337734993e+02 2.337015081e+02 7.346614088e+01 1.186036118e+02 2.042654709e+02 7.009752113e+01 1.231141275e+02 1.46 2.125375300e+02 9.394586412e+01 1.758400993e+02 2.126987915e+02 2.127431157e+02 6.654750016e+01 1.068684786e+02 1.852169953e+02 6.301439211e+01 1.113470476e+02 1.48 1.930775671e+02 8.428197796e+01 1.596390591e+02 1.933476469e+02 1.935088660e+02 6.026557548e+01 9.631153172e+01 1.678914537e+02 5.664163034e+01 1.006913962e+02 1.50 1.752285025e+02 7.554271780e+01 1.448646535e+02 1.755850342e+02 1.758617166e+02 5.458261869e+01 8.683063135e+01 1.522143324e+02 5.088634202e+01 9.101351210e+01 1.52 1.591171507e+02 6.762550810e+01 1.313592123e+02 1.594879908e+02 1.598464680e+02 4.940328249e+01 7.830654723e+01 1.381664537e+02 4.565713169e+01 8.230577903e+01 1.54 1.447193535e+02 6.049153771e+01 1.189746299e+02 1.450446295e+02 1.454223999e+02 4.464532166e+01 7.061396736e+01 1.255038230e+02 4.087996563e+01 7.451188888e+01 1.56 1.317316450e+02 5.406583340e+01 1.075996037e+02 1.319769387e+02 1.323176811e+02 4.021846806e+01 6.364665584e+01 1.139764787e+02 3.649872544e+01 6.748031896e+01 1.58 1.198877803e+02 4.825354970e+01 9.717565830e+01 1.200238382e+02 1.202833214e+02 3.608732688e+01 5.733752426e+01 1.034584880e+02 3.248453584e+01 6.107661827e+01 1.60 1.090673383e+02 4.296311660e+01 8.768813617e+01 1.090984319e+02 1.092536232e+02 3.230394238e+01 5.162460291e+01 9.387517755e+01 2.883707423e+01 5.522815948e+01 1.62 9.918215558e+01 3.813819445e+01 7.913378333e+01 9.912891676e+01 9.917907831e+01 2.893713155e+01 4.648010196e+01 8.514561554e+01 2.556837926e+01 4.988535597e+01 1.64 9.015530871e+01 3.372983755e+01 7.144078329e+01 9.004590365e+01 9.000489038e+01 2.596559098e+01 4.185852705e+01 7.717919233e+01 2.265514217e+01 4.500657087e+01 1.66 8.190575222e+01 2.973776585e+01 6.444942526e+01 8.176883004e+01 8.165184229e+01 2.327325244e+01 3.765383077e+01 6.989718536e+01 2.002488181e+01 4.053925440e+01 1.68 7.436661348e+01 2.614901763e+01 5.806782583e+01 7.422128756e+01 7.404089828e+01 2.079938411e+01 3.378782216e+01 6.323236700e+01 1.759403352e+01 3.644430513e+01 1.70 6.747281838e+01 2.289452409e+01 5.224277565e+01 6.732837289e+01 6.709950527e+01 1.852080731e+01 3.021638426e+01 5.713205394e+01 1.532582946e+01 3.269264261e+01 1.72 6.116550674e+01 1.993516259e+01 4.692911851e+01 6.100964546e+01 6.075138953e+01 1.642219864e+01 2.689919532e+01 5.154483376e+01 1.321185016e+01 2.926017501e+01 1.74 5.536222610e+01 1.724244613e+01 4.207565379e+01 5.519735407e+01 5.493641814e+01 1.448347118e+01 2.380715402e+01 4.642143968e+01 1.126093385e+01 2.608909217e+01 1.76 5.000794694e+01 1.479858307e+01 3.768121823e+01 4.985265697e+01 4.961834298e+01 1.269635031e+01 2.093690197e+01 4.173072871e+01 9.505030455e+00 2.313365055e+01 1.78 4.507423926e+01 1.258345239e+01 3.372953852e+01 4.493679454e+01 4.474372212e+01 1.106230448e+01 1.828920392e+01 3.743352124e+01 7.966879284e+00 2.037401652e+01 1.80 4.054009888e+01 1.056965252e+01 3.016103722e+01 4.041909938e+01 4.027316572e+01 9.577891671e+00 1.589414093e+01 3.347524733e+01 6.602353495e+00 1.780484908e+01 1.82 3.637824562e+01 8.775970015e+00 2.694507761e+01 3.626394422e+01 3.616519221e+01 8.240699074e+00 1.377093454e+01 2.981321614e+01 5.355746518e+00 1.542433666e+01 1.84 3.252838835e+01 7.186850544e+00 2.402090405e+01 3.242878381e+01 3.238007002e+01 7.022496796e+00 1.186297053e+01 2.641004585e+01 4.197700277e+00 1.321048096e+01 1.86 2.897427831e+01 5.763461440e+00 2.134757565e+01 2.890779302e+01 2.891144466e+01 5.910709116e+00 1.010045904e+01 2.327245783e+01 3.120019935e+00 1.122348113e+01 1.88 2.571947795e+01 4.493857130e+00 1.889691620e+01 2.570761971e+01 2.576207177e+01 4.901018742e+00 8.458705377e+00 2.041142483e+01 2.128402377e+00 9.509698933e+00 1.90 2.273665185e+01 3.367447886e+00 1.663876079e+01 2.278993455e+01 2.288833957e+01 3.988072547e+00 6.936180151e+00 1.780389403e+01 1.223019959e+00 8.013226354e+00 1.92 1.999096507e+01 2.363170521e+00 1.455196832e+01 2.010065496e+01 2.023177736e+01 3.170786079e+00 5.536138652e+00 1.541787332e+01 4.031795351e-01 6.661063750e+00 1.94 1.746650302e+01 1.462598596e+00 1.261158661e+01 1.761673084e+01 1.776973282e+01 2.431424195e+00 4.244685611e+00 1.322865803e+01 -3.339243037e-01 5.417776189e+00 1.96 1.514602641e+01 6.462037189e-01 1.078892129e+01 1.532111524e+01 1.548820418e+01 1.744212239e+00 3.047135848e+00 1.123712292e+01 -9.977899981e-01 4.265142368e+00 1.98 1.301174710e+01 -9.411320697e-02 9.081061337e+00 1.319946134e+01 1.337472756e+01 1.102647742e+00 1.940942657e+00 9.468700285e+00 -1.599521150e+00 3.191466049e+00 2.00 1.104738491e+01 -7.684844138e-01 7.487998157e+00 1.124012077e+01 1.141780334e+01 5.042832287e-01 9.227053690e-01 7.895772117e+00 -2.150354179e+00 2.185663247e+00 2.02 9.269409666e+00 -1.384663216e+00 6.025724770e+00 9.460536203e+00 9.632756166e+00 -4.510086012e-02 -8.273027510e-03 6.483222479e+00 -2.653490989e+00 1.253483768e+00 2.04 7.723678858e+00 -1.956088566e+00 4.725838570e+00 7.900584302e+00 8.057307519e+00 -5.333774008e-01 -8.467049379e-01 5.235877009e+00 -3.103969518e+00 4.195672822e-01 2.06 6.404332653e+00 -2.502808411e+00 3.575491500e+00 6.546877167e+00 6.675235155e+00 -9.667175198e-01 -1.603246513e+00 4.134254083e+00 -3.513172864e+00 -3.209959807e-01 2.08 5.223241626e+00 -3.039671105e+00 2.524140333e+00 5.320571188e+00 5.411098383e+00 -1.366544552e+00 -2.292104701e+00 3.139099661e+00 -3.897297637e+00 -9.958582642e-01 2.10 4.153095844e+00 -3.573858219e+00 1.559738919e+00 4.202962399e+00 4.252043073e+00 -1.738262995e+00 -2.901582213e+00 2.232287097e+00 -4.254901758e+00 -1.610561239e+00 2.12 3.184724486e+00 -4.101516879e+00 6.749093264e-01 3.187917460e+00 3.194965720e+00 -2.084318960e+00 -3.419278174e+00 1.396219320e+00 -4.579442720e+00 -2.172337881e+00 2.14 2.304047016e+00 -4.603774054e+00 -1.485052025e-01 2.262969440e+00 2.228612319e+00 -2.405867760e+00 -3.856997403e+00 6.216331324e-01 -4.860504470e+00 -2.687691894e+00 2.16 1.489985062e+00 -5.060234238e+00 -9.077472407e-01 1.412977629e+00 1.341766790e+00 -2.698441734e+00 -4.235669140e+00 -9.840485056e-02 -5.092209107e+00 -3.162324960e+00 2.18 7.296331274e-01 -5.472141737e+00 -1.612631480e+00 6.262283008e-01 5.257844801e-01 -2.964357721e+00 -4.574321365e+00 -7.691486206e-01 -5.284619131e+00 -3.601957161e+00 2.20 1.148270418e-02 -5.859468496e+00 -2.272598077e+00 -1.086994707e-01 -2.280916491e-01 -3.206590311e+00 -4.878756709e+00 -1.402303569e+00 -5.450288555e+00 -4.010968783e+00 2.22 -6.686256933e-01 -6.237881019e+00 -2.890080400e+00 -7.965196905e-01 -9.243886623e-01 -3.425291592e+00 -5.153372384e+00 -2.002777439e+00 -5.595496329e+00 -4.383732062e+00 2.24 -1.314044478e+00 -6.605690788e+00 -3.466309172e+00 -1.441515858e+00 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