# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Molinero-V-Moore-E-B--water # implementation = 2009--Molinero-V--water--ipr-1 # composition = mW # 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 5.189671110e+03 nan nan nan nan 0.72 nan nan nan nan nan 4.379617451e+03 nan nan nan nan 0.74 nan nan nan nan nan 3.710797493e+03 nan nan 4.901052121e+03 nan 0.76 nan nan nan nan nan 3.156466327e+03 nan nan 4.164526527e+03 nan 0.78 nan nan nan nan nan 2.694242177e+03 nan nan 3.553184636e+03 nan 0.80 nan nan nan nan nan 2.306431269e+03 nan nan 3.044938596e+03 nan 0.82 nan 4.704772095e+03 nan nan nan 1.979565226e+03 4.854774945e+03 nan 2.620822301e+03 4.716756366e+03 0.84 nan 4.063587653e+03 nan nan nan 1.703793606e+03 4.194132507e+03 nan 2.265017585e+03 4.068531662e+03 0.86 nan 3.521820147e+03 nan nan nan 1.472436270e+03 3.631093020e+03 nan 1.964697514e+03 3.523379754e+03 0.88 nan 3.062556106e+03 5.192607611e+03 nan nan 1.279447629e+03 3.152261741e+03 nan 1.709447151e+03 3.063832051e+03 0.90 nan 2.670935970e+03 4.534255248e+03 nan nan 1.118094586e+03 2.745508492e+03 4.785580398e+03 1.490716894e+03 2.674197364e+03 0.92 4.719827847e+03 2.335291893e+03 3.973529809e+03 4.715022198e+03 4.713265264e+03 9.812984157e+02 2.399631134e+03 4.191851368e+03 1.301936733e+03 2.342088478e+03 0.94 4.145450064e+03 2.046797491e+03 3.491109283e+03 4.139582389e+03 4.136754945e+03 8.631156569e+02 2.104983040e+03 3.679767993e+03 1.138574529e+03 2.057184590e+03 0.96 3.647895482e+03 1.798562152e+03 3.073016016e+03 3.643622136e+03 3.640934864e+03 7.597455706e+02 1.853130037e+03 3.235948810e+03 9.974859978e+02 1.810615173e+03 0.98 3.215589146e+03 1.584338147e+03 2.708743877e+03 3.214207686e+03 3.212740380e+03 6.689426092e+02 1.636223953e+03 2.850595569e+03 8.758959713e+02 1.595534645e+03 1.00 2.839596387e+03 1.398800031e+03 2.390664705e+03 2.841354310e+03 2.841687518e+03 5.891350571e+02 1.447511713e+03 2.516214870e+03 7.710640052e+02 1.407479853e+03 1.02 2.512865537e+03 1.237695385e+03 2.113684977e+03 2.516924896e+03 2.518829701e+03 5.192176403e+02 1.282038002e+03 2.226599419e+03 6.804670251e+02 1.243679316e+03 1.04 2.229116815e+03 1.097421833e+03 1.873236249e+03 2.233927275e+03 2.236585315e+03 4.582548561e+02 1.136655752e+03 1.975903043e+03 6.020111691e+02 1.101629101e+03 1.06 1.982686529e+03 9.751595914e+02 1.664515574e+03 1.986586308e+03 1.989085902e+03 4.052354116e+02 1.009177126e+03 1.758526460e+03 5.340278218e+02 9.783688220e+02 1.08 1.768698569e+03 8.685341043e+02 1.483097604e+03 1.770337765e+03 1.771963967e+03 3.590720513e+02 8.975527088e+02 1.569383017e+03 4.750395799e+02 8.707297055e+02 1.10 1.582342166e+03 7.751654657e+02 1.325356162e+03 1.581256903e+03 1.581646417e+03 3.187443940e+02 7.997255195e+02 1.403852538e+03 4.237266858e+02 7.760243939e+02 1.12 1.418698812e+03 6.929418618e+02 1.188051686e+03 1.415618695e+03 1.414803745e+03 2.834016138e+02 7.137972012e+02 1.257976770e+03 3.789441703e+02 6.924389095e+02 1.14 1.273700054e+03 6.203266545e+02 1.067988526e+03 1.270029667e+03 1.268335644e+03 2.523790452e+02 6.380731132e+02 1.128733402e+03 3.396703058e+02 6.187330083e+02 1.16 1.144676635e+03 5.561233611e+02 9.619945875e+02 1.141592657e+03 1.139470410e+03 2.251033693e+02 5.710886208e+02 1.013928506e+03 3.050174172e+02 5.539274185e+02 1.18 1.029772251e+03 4.991808960e+02 8.672102935e+02 1.027846972e+03 1.025744310e+03 2.010151039e+02 5.116976938e+02 9.118037471e+02 2.742567774e+02 4.971035102e+02 1.20 9.274241734e+02 4.484552184e+02 7.816601787e+02 9.267461759e+02 9.250413584e+02 1.796403909e+02 4.591088388e+02 8.208434405e+02 2.467971460e+02 4.473069816e+02 1.22 8.362445912e+02 4.031590723e+02 7.043363008e+02 8.366387230e+02 8.356209869e+02 1.606512902e+02 4.127486026e+02 7.397635182e+02 2.221742168e+02 4.035860332e+02 1.24 7.549713394e+02 3.627715144e+02 6.346808323e+02 7.561487041e+02 7.559912753e+02 1.438179590e+02 3.720298753e+02 6.674703310e+02 2.000079977e+02 3.650660901e+02 1.26 6.824841059e+02 3.268816647e+02 5.722122608e+02 6.840819646e+02 6.847883232e+02 1.289547945e+02 3.362884700e+02 6.029562252e+02 1.799765136e+02 3.309905877e+02 1.28 6.177421878e+02 2.950440396e+02 5.164392767e+02 6.193979644e+02 6.207871613e+02 1.159014923e+02 3.048414327e+02 5.452693285e+02 1.618411629e+02 3.006775740e+02 1.30 5.597874035e+02 2.667685344e+02 4.667915340e+02 5.612280645e+02 5.629860147e+02 1.044882545e+02 2.770464699e+02 4.935824701e+02 1.454423343e+02 2.735197829e+02 1.32 5.077855617e+02 2.415854251e+02 4.226024755e+02 5.088694693e+02 5.106532951e+02 9.451912481e+01 2.523272439e+02 4.472263363e+02 1.306572824e+02 2.490076904e+02 1.34 4.610045613e+02 2.191135588e+02 3.831772596e+02 4.617360808e+02 4.632774693e+02 8.578525082e+01 2.301857466e+02 4.056551094e+02 1.173680712e+02 2.267042126e+02 1.36 4.188483200e+02 1.990691202e+02 3.478963848e+02 4.193239979e+02 4.204630894e+02 7.808836716e+01 2.101982330e+02 3.684288821e+02 1.054555817e+02 2.062579069e+02 1.38 3.809123102e+02 1.812118604e+02 3.162813064e+02 3.812089558e+02 3.818697497e+02 7.125676342e+01 1.920050527e+02 3.351947761e+02 9.480817407e+01 1.874400917e+02 1.40 3.469134939e+02 1.652957778e+02 2.879566470e+02 3.470280969e+02 3.471928875e+02 6.514059162e+01 1.753229918e+02 3.056194810e+02 8.532503713e+01 1.701133558e+02 1.42 3.165653084e+02 1.510552508e+02 2.625819849e+02 3.164449914e+02 3.161446845e+02 5.960595504e+01 1.599523759e+02 2.793247929e+02 7.691060660e+01 1.541722591e+02 1.44 2.895349440e+02 1.382219228e+02 2.398564095e+02 2.891339320e+02 2.884399324e+02 5.454949869e+01 1.457677564e+02 2.558849013e+02 6.946752074e+01 1.395332433e+02 1.46 2.654476153e+02 1.265512387e+02 2.195405365e+02 2.647576684e+02 2.637695874e+02 4.991158101e+01 1.326920727e+02 2.348583119e+02 6.289047598e+01 1.261428057e+02 1.48 2.438929158e+02 1.158407623e+02 2.014303177e+02 2.429509212e+02 2.417852623e+02 4.566442949e+01 1.206657831e+02 2.158305507e+02 5.706766160e+01 1.139670755e+02 1.50 2.244426997e+02 1.059417402e+02 1.853048263e+02 2.233352452e+02 2.221170724e+02 4.178711826e+01 1.096307793e+02 1.984568470e+02 5.189098737e+01 1.029704676e+02 1.52 2.066986926e+02 9.676689246e+01 1.709058753e+02 2.055571374e+02 2.044094004e+02 3.825388569e+01 9.952794687e+01 1.824882613e+02 4.726815802e+01 9.310483676e+01 1.54 1.903556240e+02 8.827861351e+01 1.579494793e+02 1.893286035e+02 1.883568186e+02 3.503320186e+01 9.029556302e+01 1.677676536e+02 4.312876934e+01 8.430741211e+01 1.56 1.752355147e+02 8.046097396e+01 1.461527302e+02 1.744454492e+02 1.737233437e+02 3.208919251e+01 8.186966069e+01 1.542006881e+02 3.942010329e+01 7.650058809e+01 1.58 1.612554028e+02 7.329832064e+01 1.352691644e+02 1.607697978e+02 1.603350422e+02 2.938465154e+01 7.418957428e+01 1.417168007e+02 3.609808640e+01 6.959309807e+01 1.60 1.483609480e+02 6.676859693e+01 1.251176213e+02 1.481951432e+02 1.480561743e+02 2.688552763e+01 6.720451102e+01 1.302462676e+02 3.312144713e+01 6.348343080e+01 1.62 1.364944029e+02 6.084227659e+01 1.155874113e+02 1.366280260e+02 1.367714146e+02 2.456544843e+01 6.087573893e+01 1.197187960e+02 3.044899298e+01 5.806637501e+01 1.64 1.255941253e+02 5.548201002e+01 1.066220601e+02 1.259844632e+02 1.263770223e+02 2.240731545e+01 5.517221663e+01 1.100677812e+02 2.803890060e+01 5.324271806e+01 1.66 1.155993271e+02 5.064282358e+01 9.819586462e+01 1.161888184e+02 1.167785672e+02 2.040004667e+01 5.006306879e+01 1.012303837e+02 2.585122702e+01 4.892962207e+01 1.68 1.064523901e+02 4.627321648e+01 9.029155803e+01 1.071722934e+02 1.078922056e+02 1.853370469e+01 4.551262174e+01 9.314310038e+01 2.385138460e+01 4.506566528e+01 1.70 9.809584321e+01 4.231752380e+01 8.289044967e+01 9.887137073e+01 9.964689824e+01 1.679772530e+01 4.147954458e+01 8.573936132e+01 2.201179767e+01 4.160491147e+01 1.72 9.046632517e+01 3.871970539e+01 7.597253690e+01 9.122570062e+01 9.198507607e+01 1.518156190e+01 3.791779127e+01 7.895229825e+01 2.031095392e+01 3.850437709e+01 1.74 8.349210294e+01 3.542810316e+01 6.951880736e+01 8.417619328e+01 8.486028361e+01 1.367588020e+01 3.477831825e+01 7.271863157e+01 1.873157562e+01 3.571708503e+01 1.76 7.709591069e+01 3.239981291e+01 6.351358051e+01 7.766391595e+01 7.823192121e+01 1.227368166e+01 3.201132349e+01 6.698038472e+01 1.725954495e+01 3.319285241e+01 1.78 7.120108276e+01 2.960302416e+01 5.794553088e+01 7.163132471e+01 7.206156665e+01 1.097070913e+01 2.956832987e+01 6.168493179e+01 1.588321267e+01 3.088223342e+01 1.80 6.573969402e+01 2.701672690e+01 5.280626703e+01 6.602718372e+01 6.631467343e+01 9.764667867e+00 2.740316834e+01 5.678666006e+01 1.459266778e+01 2.874193349e+01 1.82 6.066027570e+01 2.462820344e+01 4.808730877e+01 6.081222818e+01 6.096418066e+01 8.653803855e+00 2.547187666e+01 5.225011414e+01 1.337978333e+01 2.674006052e+01 1.84 5.593076099e+01 2.242944369e+01 4.377793602e+01 5.596132027e+01 5.599187954e+01 7.636026713e+00 2.373326493e+01 4.805029944e+01 1.223880003e+01 2.485822001e+01 1.86 5.153347639e+01 2.041427489e+01 3.986454321e+01 5.145961135e+01 5.138574631e+01 6.708716239e+00 2.215099099e+01 4.416840862e+01 1.116638284e+01 2.308822049e+01 1.88 4.745562347e+01 1.857642998e+01 3.633047025e+01 4.729532394e+01 4.713502441e+01 5.868683118e+00 2.069526711e+01 4.058643157e+01 1.016082796e+01 2.142575610e+01 1.90 4.368315297e+01 1.690854984e+01 3.315592016e+01 4.345509684e+01 4.322704071e+01 5.112139980e+00 1.934279095e+01 3.728485659e+01 9.220899179e+00 1.986643729e+01 1.92 4.019952501e+01 1.540201371e+01 3.031797161e+01 3.992300894e+01 3.964649287e+01 4.434687032e+00 1.807573370e+01 3.424310788e+01 8.345129144e+00 1.840500406e+01 1.94 3.698604234e+01 1.404703547e+01 2.779073352e+01 3.668079225e+01 3.637554215e+01 3.831318018e+00 1.688120248e+01 3.144086546e+01 7.531667101e+00 1.703542357e+01 1.96 3.402261438e+01 1.283287105e+01 2.554570448e+01 3.370838126e+01 3.339414814e+01 3.296453664e+00 1.575095603e+01 2.885958712e+01 6.778262525e+00 1.575115367e+01 1.98 3.128893903e+01 1.174814639e+01 2.355240430e+01 3.098479902e+01 3.068065901e+01 2.824011885e+00 1.468018449e+01 2.648373588e+01 6.082271759e+00 1.454556820e+01 2.00 2.876603693e+01 1.078128714e+01 2.177931596e+01 2.848934774e+01 2.821265855e+01 2.407526432e+00 1.366550685e+01 2.430110270e+01 5.440696492e+00 1.341251920e+01 2.02 2.643783793e+01 9.920964458e+00 2.019508742e+01 2.620290485e+01 2.596797177e+01 2.040327108e+00 1.270362077e+01 2.230201754e+01 4.850263388e+00 1.234692153e+01 2.04 2.429222193e+01 9.156386386e+00 1.876979884e+01 2.410890899e+01 2.392559605e+01 1.715792668e+00 1.179107826e+01 2.047811846e+01 4.307549729e+00 1.134513386e+01 2.06 2.232081904e+01 8.477247836e+00 1.747602037e+01 2.219354367e+01 2.206626830e+01 1.427677088e+00 1.092451461e+01 1.882146879e+01 3.809149042e+00 1.040487976e+01 2.08 2.051743008e+01 7.873348186e+00 1.628959407e+01 2.044501597e+01 2.037260187e+01 1.170483871e+00 1.010095406e+01 1.732388513e+01 3.351850721e+00 9.524667712e+00 2.10 1.887606071e+01 7.334259350e+00 1.519050851e+01 1.885261477e+01 1.882916884e+01 9.398165861e-01 9.318094966e+00 1.597629734e+01 2.932782226e+00 8.703089806e+00 2.12 1.738981946e+01 6.849472810e+00 1.416404948e+01 1.740633574e+01 1.742285202e+01 7.325774766e-01 8.574453815e+00 1.476841248e+01 2.549450037e+00 7.938448510e+00 2.14 1.605065047e+01 6.408967402e+00 1.320136186e+01 1.609682975e+01 1.614300903e+01 5.468683178e-01 7.869257921e+00 1.368868457e+01 2.199651470e+00 7.228675975e+00 2.16 1.484927626e+01 6.003884018e+00 1.229840806e+01 1.491504500e+01 1.498081373e+01 3.815567560e-01 7.202115651e+00 1.272442314e+01 1.881323748e+00 6.571319510e+00 2.18 1.377517234e+01 5.627044526e+00 1.145365747e+01 1.385155942e+01 1.392794649e+01 2.357251355e-01 6.572683710e+00 1.186202007e+01 1.592452060e+00 5.963541600e+00 2.20 1.281658961e+01 5.273067089e+00 1.066608683e+01 1.289604822e+01 1.297550683e+01 1.083531686e-01 5.980515923e+00 1.108733007e+01 1.331067229e+00 5.402142598e+00 2.22 1.196065814e+01 4.938019763e+00 9.934428082e+00 1.203717011e+01 1.211368208e+01 -1.709458700e-03 5.425033309e+00 1.038622192e+01 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