# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Chen-Y-Fang-J-Liao-X-et-al--W-Ta-He # implementation = 2021--Chen-Y--W-Ta-He--LAMMPS--ipr1 # composition = He # 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 2022-12-14 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 3.833696358e+01 nan 0.74 nan nan nan nan nan nan nan nan 3.454492463e+01 nan 0.76 nan nan nan nan nan nan nan nan 3.106409712e+01 nan 0.78 nan nan nan nan nan 2.393316880e+01 nan nan 2.797778697e+01 nan 0.80 nan nan nan nan nan 2.141420920e+01 nan nan 2.523230616e+01 nan 0.82 nan nan nan nan nan 1.920666753e+01 nan nan 2.271866677e+01 nan 0.84 nan nan nan nan nan 1.726866827e+01 nan nan 2.052920882e+01 nan 0.86 nan nan nan nan nan 1.556338028e+01 nan nan 1.858010769e+01 nan 0.88 nan nan nan 3.762336457e+01 3.762464920e+01 1.405936276e+01 nan nan 1.683969346e+01 2.489497509e+01 0.90 nan 2.222094816e+01 nan 3.435981744e+01 3.436101099e+01 1.273117622e+01 2.288406000e+01 nan 1.528255650e+01 2.256254450e+01 0.92 nan 2.057493409e+01 nan 3.144746374e+01 3.144861427e+01 1.155534575e+01 2.089907044e+01 nan 1.388570214e+01 2.048711965e+01 0.94 nan 1.904524123e+01 nan 2.884344321e+01 2.884459420e+01 1.051286851e+01 1.910754937e+01 nan 1.262955889e+01 1.863623056e+01 0.96 nan 1.761938631e+01 nan 2.650825687e+01 2.650918802e+01 9.587103324e+00 1.753001419e+01 nan 1.149773975e+01 1.698289509e+01 0.98 nan 1.628674270e+01 nan 2.441159600e+01 2.441249690e+01 8.762373339e+00 1.603416017e+01 2.268817214e+01 1.046414472e+01 1.550432606e+01 1.00 2.252373565e+01 1.494498262e+01 2.065917443e+01 2.252461798e+01 2.252545294e+01 8.026842432e+00 1.468491616e+01 2.110930151e+01 9.496551368e+00 1.417864263e+01 1.02 2.109537135e+01 1.374709377e+01 1.930206253e+01 2.109633073e+01 2.109740036e+01 7.460360996e+00 1.355511329e+01 1.974392718e+01 8.699799952e+00 1.312501454e+01 1.04 1.975851647e+01 1.263963356e+01 1.801863281e+01 1.975982083e+01 1.976078607e+01 6.938785341e+00 1.251581054e+01 1.846356278e+01 7.975899363e+00 1.215788773e+01 1.06 1.850311057e+01 1.161244731e+01 1.672034523e+01 1.850422935e+01 1.850505965e+01 6.455861836e+00 1.155766285e+01 1.725846994e+01 7.316255983e+00 1.126337016e+01 1.08 1.732090717e+01 1.062752109e+01 1.551496967e+01 1.732130553e+01 1.732218516e+01 6.007877593e+00 1.067164305e+01 1.612156159e+01 6.713650568e+00 1.043583977e+01 1.10 1.620291406e+01 9.663280507e+00 1.439234096e+01 1.620375441e+01 1.620449937e+01 5.590212389e+00 9.850684263e+00 1.504620618e+01 6.162323587e+00 9.668432697e+00 1.12 1.514499337e+01 8.787716849e+00 1.334581839e+01 1.514538230e+01 1.514607698e+01 5.199695677e+00 9.088340923e+00 1.402775640e+01 5.656192832e+00 8.953747543e+00 1.14 1.414142094e+01 7.990321707e+00 1.236770307e+01 1.414158710e+01 1.414217331e+01 4.833697523e+00 8.367060322e+00 1.306140254e+01 5.191136359e+00 8.287468731e+00 1.16 1.318842508e+01 7.265012030e+00 1.145283325e+01 1.318926679e+01 1.318997372e+01 4.490318446e+00 7.683026192e+00 1.214451037e+01 4.763070524e+00 7.665634762e+00 1.18 1.228371532e+01 6.603675203e+00 1.059630612e+01 1.228441916e+01 1.228499451e+01 4.166799625e+00 7.051375701e+00 1.118471508e+01 4.368191919e+00 7.083984191e+00 1.20 1.142329665e+01 6.000598183e+00 9.792953270e+00 1.142403054e+01 1.142457156e+01 3.862171504e+00 6.467075220e+00 1.027357046e+01 4.003398408e+00 6.539881590e+00 1.22 1.044521538e+01 5.431176544e+00 8.932696951e+00 1.044606770e+01 1.044674582e+01 3.521571746e+00 5.873608228e+00 9.378105583e+00 3.626112483e+00 5.949924811e+00 1.24 9.551846635e+00 4.914812701e+00 8.147882530e+00 9.552463564e+00 9.553092572e+00 3.211589601e+00 5.334729001e+00 8.561202372e+00 3.284912183e+00 5.414365271e+00 1.26 8.734912252e+00 4.447128953e+00 7.431960366e+00 8.735386367e+00 8.735879625e+00 2.929484055e+00 4.845232243e+00 7.815297941e+00 2.976124698e+00 4.927216909e+00 1.28 7.987560722e+00 4.023503030e+00 6.779729536e+00 7.988173190e+00 7.988631252e+00 2.673112615e+00 4.401176062e+00 7.134419131e+00 2.696974704e+00 4.483885533e+00 1.30 7.305031674e+00 3.639136773e+00 6.184148811e+00 7.305125798e+00 7.305511950e+00 2.439753112e+00 3.997299746e+00 6.512649758e+00 2.443792491e+00 4.080974479e+00 1.32 6.680015581e+00 3.290705187e+00 5.639734532e+00 6.680097657e+00 6.680455507e+00 2.226308156e+00 3.630226304e+00 5.944360144e+00 2.214538825e+00 3.714589700e+00 1.34 6.107605764e+00 2.975110824e+00 5.142683775e+00 6.108044783e+00 6.108375719e+00 2.031663240e+00 3.296959040e+00 5.425175458e+00 2.006769125e+00 3.380583096e+00 1.36 5.584446933e+00 2.689452741e+00 4.689906573e+00 5.584573585e+00 5.584786675e+00 1.854461478e+00 2.993803287e+00 4.950610782e+00 1.818701921e+00 3.077271063e+00 1.38 5.104816348e+00 2.430051593e+00 4.275346630e+00 5.104933900e+00 5.105130825e+00 1.692377569e+00 2.718339342e+00 4.516893176e+00 1.648041825e+00 2.800369343e+00 1.40 4.665789839e+00 2.195074286e+00 3.896771288e+00 4.666054082e+00 4.666235382e+00 1.544442125e+00 2.468042909e+00 4.120295848e+00 1.493557798e+00 2.548300222e+00 1.42 4.263879145e+00 1.982112291e+00 3.551104428e+00 4.264234288e+00 4.264581915e+00 1.409417348e+00 2.240437187e+00 3.757739982e+00 1.353527136e+00 2.318625261e+00 1.44 3.895780452e+00 1.789785114e+00 3.235319950e+00 3.896283264e+00 3.896600968e+00 1.286006339e+00 2.033280296e+00 3.426589787e+00 1.226270279e+00 2.109413278e+00 1.46 3.559443140e+00 1.614965365e+00 2.946927843e+00 3.559464942e+00 3.559667307e+00 1.173268219e+00 1.844871165e+00 3.123900885e+00 1.110938532e+00 1.918821817e+00 1.48 3.250789216e+00 1.456640028e+00 2.684281177e+00 3.251159458e+00 3.251429738e+00 1.070449468e+00 1.673502099e+00 2.847136294e+00 1.006324616e+00 1.745180586e+00 1.50 2.968190899e+00 1.313279516e+00 2.443734285e+00 2.968529537e+00 2.968775788e+00 9.763123882e-01 1.517749294e+00 2.594322489e+00 9.114670758e-01 1.587708324e+00 1.52 2.709462878e+00 1.183495765e+00 2.224099458e+00 2.709954683e+00 2.710178825e+00 8.902850175e-01 1.376314030e+00 2.363047351e+00 8.254063117e-01 1.443501691e+00 1.54 2.472607006e+00 1.066655475e+00 2.023943277e+00 2.473057918e+00 2.473261802e+00 8.120265972e-01 1.247499063e+00 2.151950686e+00 7.471923205e-01 1.312107486e+00 1.56 2.256882479e+00 9.604039881e-01 1.840871877e+00 2.256661846e+00 2.256756595e+00 7.401437585e-01 1.130513391e+00 1.959458425e+00 6.762269899e-01 1.192750713e+00 1.58 2.058359525e+00 8.641938464e-01 1.673779903e+00 2.058152754e+00 2.058237413e+00 6.744473552e-01 1.024237885e+00 1.783025623e+00 6.120563355e-01 1.083644756e+00 1.60 1.876682655e+00 7.771796167e-01 1.521297313e+00 1.876670665e+00 1.876746096e+00 6.144064361e-01 9.274699646e-01 1.622069468e+00 5.537055220e-01 9.842406323e-01 1.62 1.710814840e+00 6.986269604e-01 1.382630862e+00 1.710616855e+00 1.710591991e+00 5.595368410e-01 8.396468434e-01 1.474957130e+00 5.007216793e-01 8.938038109e-01 1.64 1.558706234e+00 6.275040925e-01 1.256425901e+00 1.558798625e+00 1.558865847e+00 5.097684718e-01 7.601428648e-01 1.340587430e+00 4.526975937e-01 8.112998752e-01 1.66 1.419573560e+00 5.634171369e-01 1.140589892e+00 1.419656715e+00 1.419716612e+00 4.639277717e-01 6.875076496e-01 1.218168942e+00 4.092638488e-01 7.361501202e-01 1.68 1.292334850e+00 5.056199070e-01 1.034965084e+00 1.292497258e+00 1.292550502e+00 4.220471098e-01 6.215281771e-01 1.106335263e+00 3.696464215e-01 6.677066680e-01 1.70 1.176354734e+00 4.532568335e-01 9.386736086e-01 1.176369602e+00 1.176372167e+00 3.837895679e-01 5.616054241e-01 1.004300281e+00 3.337115505e-01 6.057359982e-01 1.72 1.069983993e+00 4.059033762e-01 8.510945816e-01 1.070026138e+00 1.070026322e+00 3.490295791e-01 5.071940301e-01 9.111103929e-01 3.012132485e-01 5.489608638e-01 1.74 9.727714000e-01 3.631750055e-01 7.711150956e-01 9.728085592e-01 9.728066305e-01 3.171075575e-01 4.577975905e-01 8.261278028e-01 2.717440716e-01 4.972743013e-01 1.76 8.839504355e-01 3.246354520e-01 6.982588699e-01 8.841578135e-01 8.841540252e-01 2.879620732e-01 4.131733292e-01 7.487705779e-01 2.450258830e-01 4.502282341e-01 1.78 8.031784543e-01 2.898887055e-01 6.319103445e-01 8.031896021e-01 8.031841920e-01 2.613572302e-01 3.724770921e-01 6.783897263e-01 2.208106940e-01 4.077745910e-01 1.80 7.290646892e-01 2.585753496e-01 5.715061945e-01 7.290733359e-01 7.290665182e-01 2.370771013e-01 3.355585218e-01 6.140278913e-01 1.987736249e-01 3.687952807e-01 1.82 6.614037134e-01 2.306455475e-01 5.165309213e-01 6.615846183e-01 6.617510689e-01 2.149240002e-01 3.023156571e-01 5.555240504e-01 1.788046460e-01 3.333370121e-01 1.84 5.996520798e-01 2.052326012e-01 4.665128224e-01 5.998194508e-01 5.999733011e-01 1.947169115e-01 2.720015590e-01 5.021356525e-01 1.607139602e-01 3.010894134e-01 1.86 5.433111655e-01 1.824512243e-01 4.210202867e-01 5.434660474e-01 5.436082728e-01 1.762900450e-01 2.444684338e-01 4.535391928e-01 1.443290853e-01 2.717692543e-01 1.88 4.924579650e-01 1.619886355e-01 3.801334651e-01 4.923340957e-01 4.923765238e-01 1.597290423e-01 2.197036513e-01 4.096420100e-01 1.295846869e-01 2.455634429e-01 1.90 4.455700045e-01 1.434875469e-01 3.425109021e-01 4.454524501e-01 4.454906417e-01 1.444047233e-01 1.970951633e-01 3.694012535e-01 1.161500052e-01 2.213170831e-01 1.92 4.028330847e-01 1.268666121e-01 3.083296448e-01 4.027214449e-01 4.027557760e-01 1.304434354e-01 1.767459239e-01 3.328130073e-01 1.039931862e-01 1.992905103e-01 1.94 3.638936358e-01 1.119441951e-01 2.772873806e-01 3.639737391e-01 3.640046301e-01 1.177284277e-01 1.582699574e-01 2.995591328e-01 9.308758745e-02 1.792867865e-01 1.96 3.284277108e-01 9.855575661e-02 2.491076717e-01 3.285017172e-01 3.285295522e-01 1.061527569e-01 1.416180452e-01 2.693485960e-01 8.313867623e-02 1.611264764e-01 1.98 2.962313602e-01 8.673834120e-02 2.239100244e-01 2.962532985e-01 2.962318882e-01 9.599071001e-02 1.265613772e-01 2.419771098e-01 7.414627048e-02 1.448319743e-01 2.00 2.668405345e-01 7.597342852e-02 2.006964592e-01 2.668602460e-01 2.668392314e-01 8.638561789e-02 1.128357042e-01 2.170731592e-01 6.602203234e-02 1.298703778e-01 2.02 2.401046725e-01 6.633684808e-02 1.796520941e-01 2.401224141e-01 2.401018682e-01 7.765157911e-02 1.004345651e-01 1.944798516e-01 5.868566155e-02 1.163034497e-01 2.04 2.157949447e-01 5.771779519e-02 1.605838500e-01 2.158109440e-01 2.157909249e-01 6.971321155e-02 8.923604498e-02 1.742387644e-01 5.206416435e-02 1.040066747e-01 2.06 1.937016536e-01 5.019382051e-02 1.433153239e-01 1.937161122e-01 1.936966653e-01 6.250148630e-02 7.918994547e-02 1.556579821e-01 4.609118966e-02 9.286642843e-02 2.08 1.736326691e-01 4.358722099e-02 1.276853798e-01 1.737355625e-01 1.737167223e-01 5.595319884e-02 7.007006393e-02 1.390759394e-01 4.079598829e-02 8.277903265e-02 2.10 1.554119895e-01 3.743049812e-02 1.135468568e-01 1.555085140e-01 1.554903054e-01 5.001048435e-02 6.184919459e-02 1.238261635e-01 3.612486936e-02 7.364989183e-02 2.12 1.396157791e-01 3.194554391e-02 1.007653841e-01 1.394299087e-01 1.393201784e-01 4.462037363e-02 5.444378488e-02 1.102685588e-01 3.174169145e-02 6.539270517e-02 2.14 1.245800628e-01 2.706506112e-02 8.921829052e-02 1.244043667e-01 1.243005015e-01 3.973438579e-02 4.777782835e-02 9.778111102e-02 2.779781583e-02 5.792874332e-02 2.16 1.109513271e-01 2.272816201e-02 7.879354420e-02 1.107852146e-01 1.106869070e-01 3.530815487e-02 4.178219355e-02 8.649826452e-02 2.425201516e-02 5.118614209e-02 2.18 9.860566940e-02 1.887986795e-02 6.974972304e-02 9.853878028e-02 9.853593222e-02 3.130108731e-02 3.645532512e-02 7.631124788e-02 2.115578620e-02 4.509940575e-02 2.20 8.742974617e-02 1.547053095e-02 6.125233321e-02 8.736642211e-02 8.736361781e-02 2.767604784e-02 3.161406329e-02 6.712075470e-02 1.829228074e-02 3.960882883e-02 2.22 7.731985686e-02 1.245531178e-02 5.359822506e-02 7.725992783e-02 7.725722210e-02 2.439907120e-02 2.739289361e-02 5.883612892e-02 1.572472348e-02 3.465997174e-02 2.24 6.818114536e-02 9.793727832e-03 4.706716520e-02 6.821378458e-02 6.821120900e-02 2.161777471e-02 2.349485273e-02 5.146087645e-02 1.342497538e-02 3.020320361e-02 2.26 5.992686638e-02 7.449242490e-03 4.085428040e-02 5.995771692e-02 5.995524101e-02 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7.613340282e-03 5.700058830e-03 1.682598786e-02 3.105001204e-03 9.738210390e-03 2.40 2.113208169e-02 -2.392796198e-03 1.209560902e-02 2.121193871e-02 2.129179573e-02 6.341669983e-03 4.158195182e-03 1.371254067e-02 2.285364121e-03 7.871324969e-03 2.42 1.760007967e-02 -3.155896667e-03 9.552129886e-03 1.767579157e-02 1.775150348e-02 5.204445274e-03 2.796814828e-03 1.094000760e-02 1.476324805e-03 6.208753764e-03 2.44 1.444203423e-02 -3.804424001e-03 7.383164412e-03 1.451383674e-02 1.458563925e-02 4.278689158e-03 1.721060413e-03 8.475699476e-03 7.641385665e-04 4.730957799e-03 2.46 1.162295739e-02 -4.172362928e-03 5.377501656e-03 1.169107184e-02 1.175918629e-02 3.369396798e-03 6.623371943e-04 6.289786617e-03 1.391077833e-04 3.420164421e-03 2.48 9.110873723e-03 -4.637621408e-03 3.604253534e-03 9.175517699e-03 9.240161675e-03 2.560374392e-03 -2.645866292e-04 4.355172415e-03 -3.921217961e-04 2.260186259e-03 2.50 6.876568020e-03 -5.022478360e-03 2.040577320e-03 6.937964594e-03 6.999361167e-03 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