# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Marinica-M-C-Ventelon-L-Gilbert-M-R-et-al--W-2 # implementation = 2013--Marinica-M-C--W-2--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 4.681935114e+03 nan 0.72 nan nan nan nan nan nan nan nan 4.092774723e+03 nan 0.74 nan nan nan nan nan nan nan nan 3.584496927e+03 nan 0.76 nan nan nan nan nan 2.856197083e+03 nan nan 3.145459694e+03 nan 0.78 nan nan nan nan nan 2.518070361e+03 nan nan 2.765764280e+03 nan 0.80 nan nan nan nan nan 2.224726532e+03 nan nan 2.436395546e+03 nan 0.82 nan nan nan nan nan 1.969858591e+03 nan nan 2.149692241e+03 nan 0.84 nan nan nan nan nan 1.747210416e+03 nan nan 1.899940179e+03 nan 0.86 nan nan nan 4.354397849e+03 4.353868574e+03 1.551736385e+03 nan nan 1.681710943e+03 2.620013515e+03 0.88 nan 2.186772061e+03 nan 3.888559424e+03 3.888479648e+03 1.379948882e+03 nan nan 1.490463567e+03 2.329608163e+03 0.90 nan 1.944010354e+03 nan 3.477606457e+03 3.477733996e+03 1.229043825e+03 2.064812493e+03 nan 1.322817580e+03 2.074791383e+03 0.92 nan 1.729618380e+03 nan 3.114615189e+03 3.114863300e+03 1.095800956e+03 1.839622526e+03 nan 1.175782171e+03 1.850508703e+03 0.94 nan 1.540045144e+03 nan 2.793262808e+03 2.793625043e+03 9.785450853e+02 1.641471558e+03 nan 1.046589625e+03 1.652901609e+03 0.96 nan 1.372404243e+03 nan 2.507643795e+03 2.508115446e+03 8.753449327e+02 1.466408692e+03 nan 9.326034190e+02 1.478381709e+03 0.98 2.252928082e+03 1.224328842e+03 1.945953553e+03 2.253409081e+03 2.254007879e+03 7.838973668e+02 1.311500189e+03 2.033843623e+03 8.319793233e+02 1.323730922e+03 1.00 2.026526243e+03 1.093436045e+03 1.747004658e+03 2.027387304e+03 2.027962002e+03 7.026253191e+02 1.174023103e+03 1.828049154e+03 7.433032667e+02 1.186597016e+03 1.02 1.825550559e+03 9.772491343e+02 1.569214186e+03 1.826191442e+03 1.826514195e+03 6.301050527e+02 1.051616976e+03 1.644691308e+03 6.647609565e+02 1.064771738e+03 1.04 1.645896300e+03 8.739968706e+02 1.410786542e+03 1.646101959e+03 1.646194789e+03 5.653519381e+02 9.427279189e+02 1.480655927e+03 5.948303532e+02 9.562131577e+02 1.06 1.484781487e+03 7.820231544e+02 1.269616876e+03 1.484595445e+03 1.484441256e+03 5.078228116e+02 8.461046361e+02 1.333784615e+03 5.323962838e+02 8.592155776e+02 1.08 1.340210465e+03 6.999513070e+02 1.143858209e+03 1.339765007e+03 1.339399488e+03 4.567338671e+02 7.601638409e+02 1.202155913e+03 4.766498613e+02 7.727391822e+02 1.10 1.210469063e+03 6.267630572e+02 1.031151642e+03 1.209758811e+03 1.209220525e+03 4.109940116e+02 6.834903234e+02 1.083840443e+03 4.269567537e+02 6.957185075e+02 1.12 1.093559030e+03 5.612877970e+02 9.299050667e+02 1.092910670e+03 1.092434229e+03 3.699059316e+02 6.148953947e+02 9.773746792e+02 3.825315295e+02 6.265639804e+02 1.14 9.878942277e+02 5.028850855e+02 8.389391002e+02 9.876154309e+02 9.873869525e+02 3.329572221e+02 5.534146576e+02 8.817038693e+02 3.428093716e+02 5.642375626e+02 1.16 8.923688831e+02 4.509901665e+02 7.573061539e+02 8.925350373e+02 8.926045149e+02 2.998465902e+02 4.983147256e+02 7.956933452e+02 3.072587147e+02 5.080232437e+02 1.18 8.067636504e+02 4.049285614e+02 6.838710754e+02 8.071870173e+02 8.074557102e+02 2.701118933e+02 4.487695729e+02 7.187505237e+02 2.754269238e+02 4.577184474e+02 1.20 7.304074306e+02 3.639021755e+02 6.177168523e+02 7.308407679e+02 7.311401735e+02 2.433488044e+02 4.041244479e+02 6.498328411e+02 2.470441200e+02 4.129619517e+02 1.22 6.616936067e+02 3.272486001e+02 5.582215433e+02 6.620708987e+02 6.623698640e+02 2.192880086e+02 3.640160011e+02 5.878313100e+02 2.217223326e+02 3.726649290e+02 1.24 5.997069953e+02 2.944538043e+02 5.048591184e+02 6.000073171e+02 6.002979544e+02 1.977536909e+02 3.279264922e+02 5.319920518e+02 1.990310520e+02 3.362348568e+02 1.26 5.437642363e+02 2.650198211e+02 4.570814477e+02 5.439748676e+02 5.442406327e+02 1.786367602e+02 2.954984385e+02 4.816749330e+02 1.787361471e+02 3.033634943e+02 1.28 4.931839675e+02 2.385383067e+02 4.140432059e+02 4.933315160e+02 4.935519486e+02 1.615013779e+02 2.664217988e+02 4.363692086e+02 1.605401494e+02 2.737411720e+02 1.30 4.474732648e+02 2.147165519e+02 3.750862069e+02 4.475548336e+02 4.477001829e+02 1.460235873e+02 2.402002293e+02 3.956356745e+02 1.441965001e+02 2.470297103e+02 1.32 4.063347586e+02 1.933197561e+02 3.398386388e+02 4.062695959e+02 4.062766801e+02 1.319944580e+02 2.164693011e+02 3.589299789e+02 1.295089811e+02 2.229547766e+02 1.34 3.693397838e+02 1.740402906e+02 3.079278601e+02 3.690565471e+02 3.688673426e+02 1.192297850e+02 1.949938961e+02 3.257630978e+02 1.162922099e+02 2.012441182e+02 1.36 3.358253526e+02 1.565355823e+02 2.789696176e+02 3.353790124e+02 3.350190788e+02 1.076150195e+02 1.755841443e+02 2.956940786e+02 1.044715653e+02 1.815797551e+02 1.38 3.053276597e+02 1.406088398e+02 2.529524886e+02 3.048901305e+02 3.044850249e+02 9.720655313e+01 1.581018624e+02 2.683685347e+02 9.396343588e+01 1.637598072e+02 1.40 2.775844439e+02 1.261886542e+02 2.297287371e+02 2.772999639e+02 2.769778273e+02 8.797640187e+01 1.424158072e+02 2.435011680e+02 8.453380008e+01 1.476500459e+02 1.42 2.523259069e+02 1.132531704e+02 2.087303571e+02 2.522151493e+02 2.520170333e+02 7.968311345e+01 1.282691462e+02 2.208080985e+02 7.603082183e+01 1.331143899e+02 1.44 2.293058588e+02 1.016121780e+02 1.895586424e+02 2.293487502e+02 2.292760926e+02 7.216122932e+01 1.154611826e+02 2.000785799e+02 6.834059518e+01 1.201169521e+02 1.46 2.082754191e+02 9.106398386e+01 1.720140620e+02 2.084470264e+02 2.084970077e+02 6.532726896e+01 1.039089499e+02 1.811901910e+02 6.139274045e+01 1.085270513e+02 1.48 1.889742413e+02 8.154564907e+01 1.559776189e+02 1.892581630e+02 1.894299205e+02 5.912822471e+01 9.352538507e+01 1.640261880e+02 5.514148500e+01 9.804470237e+01 1.50 1.712938832e+02 7.293898065e+01 1.413348528e+02 1.716547271e+02 1.719417636e+02 5.350904378e+01 8.420904189e+01 1.485128290e+02 4.949901573e+01 8.854424593e+01 1.52 1.553311196e+02 6.514368704e+01 1.279401510e+02 1.557064134e+02 1.560718330e+02 4.838120052e+01 7.584224094e+01 1.346178882e+02 4.437100798e+01 8.000499872e+01 1.54 1.410873192e+02 5.812417148e+01 1.156641383e+02 1.414171328e+02 1.417960091e+02 4.366990853e+01 6.830507359e+01 1.221112031e+02 3.968418845e+01 7.237544659e+01 1.56 1.282587361e+02 5.180964104e+01 1.044108022e+02 1.285060751e+02 1.288437903e+02 3.928938810e+01 6.149690775e+01 1.107360467e+02 3.538780445e+01 6.550182740e+01 1.58 1.165665257e+02 4.611008113e+01 9.411401458e+01 1.167103469e+02 1.169689169e+02 3.520725165e+01 5.533876451e+01 1.003698710e+02 3.145362404e+01 5.924545519e+01 1.60 1.058970016e+02 4.094051984e+01 8.474310842e+01 1.059361631e+02 1.060924840e+02 3.146543590e+01 4.976597472e+01 9.093205028e+01 2.787474729e+01 5.353604999e+01 1.62 9.616222415e+01 3.623708445e+01 7.630793049e+01 9.611154001e+01 9.616330099e+01 2.814046971e+01 4.475755493e+01 8.233588948e+01 2.466572678e+01 4.832504478e+01 1.64 8.727499233e+01 3.194588728e+01 6.874320770e+01 8.716288243e+01 8.712262119e+01 2.521557670e+01 4.026967477e+01 7.449154963e+01 2.181100765e+01 4.356279886e+01 1.66 7.915149295e+01 2.807052536e+01 6.188511696e+01 7.900898727e+01 7.889073487e+01 2.257131576e+01 3.619341270e+01 6.732513496e+01 1.924148139e+01 3.919648909e+01 1.68 7.173056362e+01 2.459850655e+01 5.563406028e+01 7.157817997e+01 7.139438907e+01 2.014106628e+01 3.244841826e+01 6.077660077e+01 1.686822616e+01 3.519372310e+01 1.70 6.495201991e+01 2.145686553e+01 4.993610148e+01 6.479701095e+01 6.456388444e+01 1.790308160e+01 2.898717437e+01 5.479389982e+01 1.465051784e+01 3.152786837e+01 1.72 5.875362247e+01 1.860723442e+01 4.474403680e+01 5.858984853e+01 5.832874589e+01 1.584122211e+01 2.576929407e+01 4.932227978e+01 1.258068281e+01 2.816821844e+01 1.74 5.305849220e+01 1.602492604e+01 4.000892993e+01 5.289220418e+01 5.263020084e+01 1.393643311e+01 2.276880865e+01 4.431396405e+01 1.066745117e+01 2.505997536e+01 1.76 4.781724055e+01 1.368965037e+01 3.573444801e+01 4.766120653e+01 4.742324417e+01 1.218077225e+01 1.997614687e+01 3.973838027e+01 8.945666562e+00 2.216459627e+01 1.78 4.300093147e+01 1.157681006e+01 3.190690703e+01 4.285865329e+01 4.265823881e+01 1.057599791e+01 1.739369708e+01 3.555690667e+01 7.439895802e+00 1.946371419e+01 1.80 3.858497336e+01 9.661439094e+00 2.846273297e+01 3.845251864e+01 3.829584163e+01 9.119084426e+00 1.505887423e+01 3.171347110e+01 6.108435560e+00 1.695059274e+01 1.82 3.452830225e+01 7.963729955e+00 2.535823767e+01 3.440194576e+01 3.429195347e+01 7.802883233e+00 1.299191069e+01 2.815809151e+01 4.895460037e+00 1.461166366e+01 1.84 3.077972699e+01 6.470254314e+00 2.254260454e+01 3.067048715e+01 3.061148617e+01 6.606084761e+00 1.113818749e+01 2.485828654e+01 3.772927394e+00 1.243219139e+01 1.86 2.732841307e+01 5.138217302e+00 1.997891639e+01 2.725607981e+01 2.725075438e+01 5.518709239e+00 9.426657365e+00 2.182072066e+01 2.733048118e+00 1.047883396e+01 1.88 2.417824841e+01 3.953776413e+00 1.763945787e+01 2.416217505e+01 2.420891665e+01 4.536790304e+00 7.831374613e+00 1.905534989e+01 1.777110297e+00 8.801351701e+00 1.90 2.129898819e+01 2.906264169e+00 1.549429218e+01 2.134631161e+01 2.143823956e+01 3.655010374e+00 6.350059562e+00 1.653832595e+01 9.037190659e-01 7.344719579e+00 1.92 1.865019419e+01 1.970949550e+00 1.351487208e+01 1.875383660e+01 1.888081245e+01 2.865112932e+00 4.986066077e+00 1.423656430e+01 1.118306015e-01 6.031853544e+00 1.94 1.621227510e+01 1.130491945e+00 1.167278532e+01 1.635969415e+01 1.651224568e+01 2.147222681e+00 3.728789606e+00 1.212729799e+01 -6.010348224e-01 4.825729181e+00 1.96 1.397086357e+01 3.701991434e-01 9.942839351e+00 1.414851565e+01 1.431895919e+01 1.480500869e+00 2.563041320e+00 1.021693555e+01 -1.242424502e+00 3.710411271e+00 1.98 1.191191099e+01 -3.189224849e-01 8.320136098e+00 1.210807824e+01 1.228969007e+01 8.582887222e-01 1.485519224e+00 8.531236457e+00 -1.821268488e+00 2.674200203e+00 2.00 1.002283498e+01 -9.483027720e-01 6.803369389e+00 1.022763801e+01 1.041332742e+01 2.774782413e-01 4.924226313e-01 7.044538056e+00 -2.347724996e+00 1.705853152e+00 2.02 8.326116141e+00 -1.528326758e+00 5.410552869e+00 8.527981830e+00 8.708480877e+00 -2.562253840e-01 -4.141282624e-01 5.715714788e+00 -2.825005627e+00 8.116524501e-01 2.04 6.869687061e+00 -2.070943857e+00 4.176953836e+00 7.053225344e+00 7.217775373e+00 -7.301446350e-01 -1.225448873e+00 4.546927335e+00 -3.250397138e+00 1.650721975e-02 2.06 5.631333031e+00 -2.593236572e+00 3.092041951e+00 5.780434362e+00 5.917865143e+00 -1.150192054e+00 -1.951121302e+00 3.518247071e+00 -3.635008207e+00 -6.854270193e-01 2.08 4.523829448e+00 -3.110091336e+00 2.103849953e+00 4.630043102e+00 4.732091288e+00 -1.538853958e+00 -2.607098656e+00 2.592631159e+00 -3.995851695e+00 -1.324428939e+00 2.10 3.524459561e+00 -3.627941423e+00 1.195923278e+00 3.585101914e+00 3.647247796e+00 -1.900832281e+00 -3.182304168e+00 1.752721859e+00 -4.333820586e+00 -1.905386103e+00 2.12 2.625295380e+00 -4.142223583e+00 3.597145847e-01 2.639975338e+00 2.659696915e+00 -2.237519975e+00 -3.665397037e+00 9.808119283e-01 -4.642273034e+00 -2.432925294e+00 2.14 1.812326212e+00 -4.633407850e+00 -4.176137958e-01 1.783159953e+00 1.760090859e+00 -2.549695590e+00 -4.069139932e+00 2.675654772e-01 -4.909445089e+00 -2.912565985e+00 2.16 1.063641514e+00 -5.080590852e+00 -1.139276201e+00 9.969201250e-01 9.346677047e-01 -2.836239610e+00 -4.415973183e+00 -3.951683052e-01 -5.128730142e+00 -3.349690883e+00 2.18 3.662080796e-01 -5.485310693e+00 -1.814370531e+00 2.697553044e-01 1.753421074e-01 -3.099252281e+00 -4.723894009e+00 -1.015345042e+00 -5.309740518e+00 -3.749703516e+00 2.20 -2.919430289e-01 -5.867933820e+00 -2.448458261e+00 -4.089149842e-01 -5.253831747e-01 -3.340004437e+00 -4.998874181e+00 -1.603495954e+00 -5.464730270e+00 -4.117970381e+00 2.22 -9.177267106e-01 -6.244338004e+00 -3.043618063e+00 -1.045502505e+00 -1.173262386e+00 -3.558730614e+00 -5.245755567e+00 -2.163749309e+00 -5.600885792e+00 -4.456048578e+00 2.24 -1.515098630e+00 -6.612902851e+00 -3.600568355e+00 -1.644416653e+00 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