# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Pt-V # implementation = 2017--Kim-J-S--Pt-V--LAMMPS--ipr1 # composition = V # 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 nan nan 0.72 nan nan nan nan nan 9.212495006e+01 nan nan nan nan 0.74 nan nan nan nan nan 8.700746514e+01 nan nan nan nan 0.76 nan nan nan nan nan 8.213649398e+01 nan nan 1.413646836e+02 nan 0.78 nan nan nan nan nan 7.750082290e+01 nan nan 1.328525588e+02 nan 0.80 nan nan nan nan nan 7.308974181e+01 nan nan 1.247980842e+02 nan 0.82 nan nan nan nan nan 6.889302106e+01 nan nan 1.171778515e+02 nan 0.84 nan 2.656343925e+02 nan nan nan 6.490088953e+01 1.978122766e+02 nan 1.099696233e+02 1.468561551e+02 0.86 nan 2.505227467e+02 nan nan nan 6.110401370e+01 1.866381739e+02 nan 1.031522751e+02 1.387170351e+02 0.88 nan 2.361860338e+02 nan nan nan 5.749347769e+01 1.760319385e+02 nan 9.670573977e+01 1.309794170e+02 0.90 nan 2.225868061e+02 nan nan nan 5.406076434e+01 1.659661924e+02 nan 9.061095532e+01 1.236245216e+02 0.92 nan 2.096893562e+02 2.569386726e+02 nan nan 5.079773711e+01 1.564148400e+02 2.448056112e+02 8.484981501e+01 1.166344269e+02 0.94 2.434075717e+02 1.974596382e+02 2.434146901e+02 2.434043700e+02 2.434011683e+02 4.769662288e+01 1.473530094e+02 2.322440206e+02 7.940511990e+01 1.099920294e+02 0.96 2.311586616e+02 1.858651927e+02 2.305314966e+02 2.311554191e+02 2.311521766e+02 4.474999554e+01 1.387569956e+02 2.202602420e+02 7.426053384e+01 1.036810069e+02 0.98 2.194619709e+02 1.748750749e+02 2.182604844e+02 2.194586873e+02 2.194554037e+02 4.195076036e+01 1.306042069e+02 2.088293196e+02 6.940054065e+01 9.768578328e+01 1.00 2.082941347e+02 1.644597863e+02 2.065742746e+02 2.082908097e+02 2.082874847e+02 3.929213908e+01 1.228731133e+02 1.979273313e+02 6.481040342e+01 9.199149459e+01 1.02 1.976327359e+02 1.545912088e+02 1.954466654e+02 1.976293693e+02 1.976260027e+02 3.676765575e+01 1.155431977e+02 1.875313476e+02 6.047612580e+01 8.658395699e+01 1.04 1.874562682e+02 1.452425419e+02 1.848525835e+02 1.874528597e+02 1.874494513e+02 3.437112313e+01 1.085949089e+02 1.776193912e+02 5.638441530e+01 8.144963584e+01 1.06 1.777440997e+02 1.363882433e+02 1.747680366e+02 1.777406492e+02 1.777371988e+02 3.209662982e+01 1.020096172e+02 1.681703990e+02 5.252264827e+01 7.657561644e+01 1.08 1.684764391e+02 1.280039712e+02 1.651700679e+02 1.684729464e+02 1.684694536e+02 2.993852794e+01 9.576957157e+01 1.591641851e+02 4.887883672e+01 7.194957585e+01 1.10 1.596343020e+02 1.200665297e+02 1.560367131e+02 1.596307667e+02 1.596272315e+02 2.789142137e+01 8.985785890e+01 1.505814055e+02 4.544159676e+01 6.755975619e+01 1.12 1.511994792e+02 1.125538168e+02 1.473469584e+02 1.511959012e+02 1.511923233e+02 2.595015457e+01 8.425836550e+01 1.424035238e+02 4.220011856e+01 6.339493905e+01 1.14 1.431545060e+02 1.054447739e+02 1.390807006e+02 1.431508852e+02 1.431472644e+02 2.410980184e+01 7.895573986e+01 1.346127789e+02 3.914413785e+01 5.944442103e+01 1.16 1.354826330e+02 9.871933869e+01 1.312187090e+02 1.354789691e+02 1.354753052e+02 2.236565720e+01 7.393535736e+01 1.271921535e+02 3.626390880e+01 5.569799045e+01 1.18 1.281677974e+02 9.235839917e+01 1.237425884e+02 1.281640903e+02 1.281603832e+02 2.071322456e+01 6.918328662e+01 1.201253439e+02 3.355017823e+01 5.214590508e+01 1.20 1.211945958e+02 8.634375020e+01 1.166347443e+02 1.211908454e+02 1.211870949e+02 1.914820853e+01 6.468625724e+01 1.133967309e+02 3.099416115e+01 4.877887087e+01 1.22 1.145482585e+02 8.065805189e+01 1.098783485e+02 1.145444645e+02 1.145406706e+02 1.766650545e+01 6.043162917e+01 1.069913525e+02 2.858751746e+01 4.558802166e+01 1.24 1.082146235e+02 7.528478983e+01 1.034573072e+02 1.082107859e+02 1.082069483e+02 1.626419499e+01 5.640736344e+01 1.008948765e+02 2.632232979e+01 4.256489978e+01 1.26 1.021801131e+02 7.020823715e+01 9.735623001e+01 1.021762318e+02 1.021723505e+02 1.493753204e+01 5.260199416e+01 9.509357546e+01 2.419108253e+01 3.970143756e+01 1.28 9.643171011e+01 6.541341823e+01 9.156039972e+01 9.642778496e+01 9.642385981e+01 1.368293900e+01 4.900460189e+01 8.957430174e+01 2.218664176e+01 3.698993965e+01 1.30 9.095693572e+01 6.088607405e+01 8.605574424e+01 9.095296667e+01 9.094899762e+01 1.249699839e+01 4.560478825e+01 8.432446393e+01 2.030223632e+01 3.442306611e+01 1.32 8.574382798e+01 5.661262914e+01 8.082880901e+01 8.573981497e+01 8.573580195e+01 1.137644583e+01 4.239265158e+01 7.933200413e+01 1.853143967e+01 3.199381635e+01 1.34 8.078092113e+01 5.258015994e+01 7.586673082e+01 8.077686410e+01 8.077280708e+01 1.031816329e+01 3.935876384e+01 7.458537615e+01 1.686815276e+01 2.969551368e+01 1.36 7.605722571e+01 4.877636465e+01 7.115721270e+01 7.605312466e+01 7.604902361e+01 9.319172680e+00 3.649414852e+01 7.007352457e+01 1.530658773e+01 2.752179068e+01 1.38 7.156220956e+01 4.518953440e+01 6.668849984e+01 7.155806447e+01 7.155391939e+01 8.376629706e+00 3.379025955e+01 6.578586462e+01 1.384125231e+01 2.546657512e+01 1.40 6.728577942e+01 4.180852577e+01 6.244935644e+01 6.728159031e+01 6.727740121e+01 7.487818002e+00 3.123896122e+01 6.171226288e+01 1.246693519e+01 2.352407656e+01 1.42 6.321826333e+01 3.862273444e+01 5.842904362e+01 6.321403025e+01 6.320979717e+01 6.650143527e+00 2.883250898e+01 5.784301874e+01 1.117869189e+01 2.168877360e+01 1.44 5.935039372e+01 3.562207020e+01 5.461729821e+01 5.934611672e+01 5.934183971e+01 5.861129207e+00 2.656353117e+01 5.416884661e+01 9.971831526e+00 1.995540162e+01 1.46 5.567329110e+01 3.279693290e+01 5.100431240e+01 5.566897026e+01 5.566464941e+01 5.118409817e+00 2.442501158e+01 5.068085885e+01 8.841904080e+00 1.831894111e+01 1.48 5.217844846e+01 3.013818966e+01 4.758071428e+01 5.217408388e+01 5.216971930e+01 4.419727083e+00 2.241027276e+01 4.737054932e+01 7.784688400e+00 1.677460657e+01 1.50 4.885771622e+01 2.763715300e+01 4.433754914e+01 4.885330804e+01 4.884889986e+01 3.762925012e+00 2.051296019e+01 4.422977771e+01 6.796180741e+00 1.531783584e+01 1.52 4.570328783e+01 2.528556002e+01 4.126626158e+01 4.569883620e+01 4.569438457e+01 3.145945412e+00 1.872702708e+01 4.125075437e+01 5.872583897e+00 1.394427994e+01 1.54 4.270768588e+01 2.307555249e+01 3.835867841e+01 4.270319098e+01 4.269869607e+01 2.566823624e+00 1.704671999e+01 3.842602582e+01 5.010296855e+00 1.264979339e+01 1.56 3.986374876e+01 2.099965788e+01 3.560699217e+01 3.985921080e+01 3.985467284e+01 2.023684435e+00 1.546656499e+01 3.574846085e+01 4.205904977e+00 1.143042490e+01 1.58 3.716461791e+01 1.905077119e+01 3.300374540e+01 3.716003713e+01 3.715545635e+01 1.514738164e+00 1.398135454e+01 3.321123713e+01 3.456170652e+00 1.028240860e+01 1.60 3.460372549e+01 1.722213775e+01 3.054181559e+01 3.459910216e+01 3.459447883e+01 1.038276934e+00 1.258613496e+01 3.080782840e+01 2.758024423e+00 9.202155520e+00 1.62 3.217478257e+01 1.550733659e+01 2.821440068e+01 3.217011699e+01 3.216545141e+01 5.926710955e-01 1.127619445e+01 2.853199215e+01 2.108556550e+00 8.186245567e+00 1.64 2.987176780e+01 1.390026477e+01 2.601500525e+01 2.986706030e+01 2.986235281e+01 1.763658082e-01 1.004705172e+01 2.637775783e+01 1.505008986e+00 7.231419803e+00 1.66 2.768891650e+01 1.239512235e+01 2.393742727e+01 2.768416745e+01 2.767941840e+01 -2.121222225e-01 8.894445058e+00 2.433941548e+01 9.447677546e-01 6.334573095e+00 1.68 2.562071019e+01 1.098639796e+01 2.197574535e+01 2.561591999e+01 2.561112980e+01 -5.742078716e-01 7.814322018e+00 2.241150490e+01 4.253557073e-01 5.492747089e+00 1.70 2.366186654e+01 9.668855211e+00 2.012430660e+01 2.365703564e+01 2.365220473e+01 -9.112405829e-01 6.802829481e+00 2.058880516e+01 -5.557436560e-02 4.703123508e+00 1.72 2.180732974e+01 8.437519578e+00 1.837771497e+01 2.180245859e+01 2.179758745e+01 -1.224507227e+00 5.856304241e+00 1.886632464e+01 -5.002462792e-01 3.963017741e+00 1.74 2.005226116e+01 7.287665955e+00 1.673082009e+01 2.004735029e+01 2.004243943e+01 -1.515234833e+00 4.971264001e+00 1.723929138e+01 -9.107666753e-01 3.269872730e+00 1.76 1.839203051e+01 6.214806769e+00 1.517870654e+01 1.838708048e+01 1.838213045e+01 -1.784593207e+00 4.144398794e+00 1.570314386e+01 -1.289130934e+00 2.621253127e+00 1.78 1.682220726e+01 5.214680638e+00 1.371668365e+01 1.681721866e+01 1.681223006e+01 -2.033697428e+00 3.372562798e+00 1.425352220e+01 -1.637228794e+00 2.014839724e+00 1.80 1.533855242e+01 4.283241555e+00 1.234027566e+01 1.533352589e+01 1.532849936e+01 -2.263610241e+00 2.652766538e+00 1.288625963e+01 -1.956849693e+00 1.448424117e+00 1.82 1.393701068e+01 3.416648571e+00 1.104521233e+01 1.393194690e+01 1.392688312e+01 -2.475344348e+00 1.982169441e+00 1.159737436e+01 -2.249687840e+00 9.199036319e-01 1.84 1.261370278e+01 2.611255956e+00 9.827419960e+00 1.260860249e+01 1.260350221e+01 -2.669864591e+00 1.358072747e+00 1.038306179e+01 -2.517347045e+00 4.272764605e-01 1.86 1.136491832e+01 1.863603809e+00 8.683012749e+00 1.135978231e+01 1.135464629e+01 -2.848090048e+00 7.779127398e-01 9.239686992e+00 -2.761345295e+00 -3.136297171e-02 1.88 1.018710873e+01 1.170409115e+00 7.608284554e+00 1.018193781e+01 1.017676689e+01 -3.010896033e+00 2.392543003e-01 8.163777562e+00 -2.983119119e+00 -4.578284342e-01 1.90 9.076880544e+00 5.285572008e-01 6.599700992e+00 9.071675613e+00 9.066470681e+00 -3.159116012e+00 -2.602152425e-01 7.152016695e+00 -3.184027719e+00 -8.538461186e-01 1.92 8.030989033e+00 -6.490639615e-02 5.653891876e+00 8.025751022e+00 8.020513012e+00 -3.293543431e+00 -7.226919751e-01 6.201236592e+00 -3.365356911e+00 -1.221058675e+00 1.94 7.046331972e+00 -6.127836916e-01 4.767643968e+00 7.041061876e+00 7.035791780e+00 -3.414933418e+00 -1.150260988e+00 5.308412119e+00 -3.528322859e+00 -1.561029068e+00 1.96 6.119943736e+00 -1.117731652e+00 3.937894050e+00 6.114642605e+00 6.109341474e+00 -3.524004644e+00 -1.544901705e+00 4.470654734e+00 -3.674075628e+00 -1.875244254e+00 1.98 5.248989600e+00 -1.582269249e+00 3.161722286e+00 5.243658545e+00 5.238327490e+00 -3.621440710e+00 -1.908492961e+00 3.685206648e+00 -3.803702560e+00 -2.165118696e+00 2.00 4.430760279e+00 -2.008784184e+00 2.436345864e+00 4.425400472e+00 4.420040666e+00 -3.707891722e+00 -2.242817845e+00 2.949435246e+00 -3.918231482e+00 -2.431997720e+00 2.02 3.662666684e+00 -2.399539294e+00 1.759112919e+00 3.657279362e+00 3.651892039e+00 -3.783975821e+00 -2.549568317e+00 2.260827721e+00 -4.018633748e+00 -2.677160718e+00 2.04 2.942234886e+00 -2.756678668e+00 1.127496707e+00 2.936821350e+00 2.931407815e+00 -3.850280551e+00 -2.830349606e+00 1.616985937e+00 -4.105827143e+00 -2.901824206e+00 2.06 2.267101289e+00 -3.082233464e+00 5.390900319e-01 2.261662912e+00 2.256224534e+00 -3.907364200e+00 -3.086684406e+00 1.015621504e+00 -4.180678625e+00 -3.107144742e+00 2.08 1.635007995e+00 -3.378127463e+00 -8.400083987e-03 1.629546217e+00 1.624084440e+00 -3.955757075e+00 -3.320016869e+00 4.545510529e-01 -4.244006944e+00 -3.294221718e+00 2.10 1.043798354e+00 -3.646182353e+00 -5.171575080e-01 1.038314690e+00 1.032831027e+00 -3.995962727e+00 -3.531716420e+00 -6.830829354e-02 -4.296585122e+00 -3.464100018e+00 2.12 4.914126941e-01 -3.888122773e+00 -9.892618806e-01 4.859087362e-01 4.804047783e-01 -4.028459119e+00 -3.723081382e+00 -5.549432594e-01 -4.339142812e+00 -3.617772564e+00 2.14 -2.411576876e-02 -4.105581113e+00 -1.426693290e+00 -2.963835243e-02 -3.516093610e-02 -4.053699740e+00 -3.895342441e+00 -1.007248578e+00 -4.372368537e+00 -3.756182734e+00 2.16 -5.046648656e-01 -4.300102086e+00 -1.831336746e+00 -5.102043253e-01 -5.157437850e-01 -4.072114677e+00 -4.049665941e+00 -1.427030979e+00 -4.396911822e+00 -3.880226686e+00 2.18 -9.520272425e-01 -4.473147092e+00 -2.204986459e+00 -9.575817449e-01 -9.631362474e-01 -4.084111629e+00 -4.187157026e+00 -1.816013013e+00 -4.413385211e+00 -3.990755565e+00 2.20 -1.367913978e+00 -4.626098365e+00 -2.549349935e+00 -1.373481604e+00 -1.379049229e+00 -4.090076885e+00 -4.308862636e+00 -2.175836713e+00 -4.422366188e+00 -4.088577613e+00 2.22 -1.753958055e+00 -4.760262929e+00 -2.866051895e+00 -1.759536794e+00 -1.765115534e+00 -4.090376250e+00 -4.415774357e+00 -2.508067108e+00 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