# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2020--Chen-Y-Liao-X-Gao-N-et-al--W-V # implementation = 2020--Chen-Y--W-V--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-12-14 r V V V W W W 0.02 3.140714474e+05 9.830460745e+05 3.075950117e+06 0.04 1.325387185e+05 4.062006518e+05 1.244232983e+06 0.06 7.588911833e+04 2.286093089e+05 6.878300994e+05 0.08 4.952272113e+04 1.469522052e+05 4.349788207e+05 0.10 3.480728846e+04 1.018694578e+05 2.968493362e+05 0.12 2.567303299e+04 7.416725063e+04 2.128356072e+05 0.14 1.959059630e+04 5.590283430e+04 1.580147419e+05 0.16 1.533350939e+04 4.324708893e+04 1.204304495e+05 0.18 1.224150571e+04 3.414821442e+04 9.370184852e+04 0.20 9.930587822e+03 2.741766027e+04 7.414696492e+04 0.22 8.163729186e+03 2.232458445e+04 5.951146624e+04 0.24 6.787551070e+03 1.839801875e+04 4.834997176e+04 0.26 5.698942902e+03 1.532285397e+04 3.970116811e+04 0.28 4.826383335e+03 1.288172172e+04 3.290640457e+04 0.30 4.118955338e+03 1.092084373e+04 2.750317689e+04 0.32 3.539609206e+03 9.329100401e+03 2.315992403e+04 0.34 3.060880059e+03 8.024736354e+03 1.963470171e+04 0.36 2.662080349e+03 6.946656905e+03 1.674821008e+04 0.38 2.327409597e+03 6.048580511e+03 1.436574559e+04 0.40 2.044651824e+03 5.295021235e+03 1.238486251e+04 0.42 1.804259595e+03 4.658474485e+03 1.072677966e+04 0.44 1.598698365e+03 4.117411907e+03 9.330296817e+03 0.46 1.421969730e+03 3.654831262e+03 8.147425194e+03 0.48 1.269259912e+03 3.257193628e+03 7.140208052e+03 0.50 1.136677334e+03 2.913635147e+03 6.278380036e+03 0.52 1.021054509e+03 2.615376066e+03 5.537625496e+03 0.54 9.197969727e+02 2.355273335e+03 4.898269721e+03 0.56 8.307670195e+02 2.127478828e+03 4.344286516e+03 0.58 7.521934845e+02 1.927176099e+03 3.862539235e+03 0.60 6.826011847e+02 1.750376040e+03 3.442195739e+03 0.62 6.207553497e+02 1.593757147e+03 3.074274025e+03 0.64 5.656175641e+02 1.454539782e+03 2.751295155e+03 0.66 5.163106230e+02 1.330386595e+03 2.467001909e+03 0.68 4.720903332e+02 1.219323163e+03 2.216114868e+03 0.70 4.323227658e+02 1.119674390e+03 1.994170432e+03 0.72 3.964658097e+02 1.030013264e+03 1.797379268e+03 0.74 3.640541411e+02 9.491193355e+02 1.622511835e+03 0.76 3.346869188e+02 8.759449251e+02 1.466805533e+03 0.78 3.080182278e+02 8.095874722e+02 1.327888990e+03 0.80 2.837585703e+02 7.492668125e+02 1.203720018e+03 0.82 2.616505546e+02 6.943064185e+02 1.092534523e+03 0.84 2.414657860e+02 6.441178462e+02 9.928042423e+02 0.86 2.230043600e+02 5.981877843e+02 9.032016202e+02 0.88 2.060908191e+02 5.560672295e+02 8.225705061e+02 0.90 1.905707504e+02 5.173624010e+02 7.499015979e+02 0.92 1.763079111e+02 4.817270889e+02 6.843117898e+02 0.94 1.631817931e+02 4.488561839e+02 6.250267354e+02 0.96 1.510855519e+02 4.184801897e+02 5.713660754e+02 0.98 1.399242414e+02 3.903605511e+02 5.227308807e+02 1.00 1.296061433e+02 3.642685983e+02 4.785430655e+02 1.02 1.176949677e+02 3.344541862e+02 4.223152870e+02 1.04 1.068412347e+02 3.072708703e+02 3.728280340e+02 1.06 9.695132781e+01 2.824597652e+02 3.292764386e+02 1.08 8.793451882e+01 2.597757387e+02 2.909159338e+02 1.10 7.970910628e+01 2.390009755e+02 2.570977742e+02 1.12 7.220150220e+01 2.199418813e+02 2.272565791e+02 1.14 6.534541125e+01 2.024263389e+02 2.008995006e+02 1.16 5.908109295e+01 1.863012749e+02 1.775968049e+02 1.18 5.335469852e+01 1.714305037e+02 1.569736827e+02 1.20 4.811767474e+01 1.576928158e+02 1.387031265e+02 1.22 4.332622815e+01 1.449913647e+02 1.224997390e+02 1.24 3.894084351e+01 1.332552139e+02 1.081143466e+02 1.26 3.492585086e+01 1.223988156e+02 9.532931664e+01 1.28 3.124903644e+01 1.123448426e+02 8.395448360e+01 1.30 2.788129299e+01 1.030241871e+02 7.382360638e+01 1.32 2.479630532e+01 9.437503326e+01 6.479128621e+01 1.34 2.197026775e+01 8.634203477e+01 5.673028537e+01 1.36 1.938163010e+01 7.887558627e+01 4.952919426e+01 1.38 1.701086928e+01 7.193117700e+01 4.309040125e+01 1.40 1.484028401e+01 6.546881781e+01 3.732832570e+01 1.42 1.285381022e+01 5.945253308e+01 3.216787985e+01 1.44 1.103685512e+01 5.384991011e+01 2.754312966e+01 1.46 9.376147883e+00 4.863169949e+01 2.339612861e+01 1.48 7.859605495e+00 4.377146060e+01 1.967590197e+01 1.50 6.476211974e+00 3.924524713e+01 1.633756182e+01 1.52 5.215909789e+00 3.503132805e+01 1.334153591e+01 1.54 4.069502127e+00 3.110993995e+01 1.065289552e+01 1.56 3.028564958e+00 2.746306730e+01 8.240769360e+00 1.58 2.085367861e+00 2.407424730e+01 6.077832497e+00 1.60 1.232802747e+00 2.092839659e+01 4.139860414e+00 1.62 4.643196552e-01 1.801165735e+01 2.405339905e+00 1.64 -2.261310937e-01 1.531126057e+01 8.551293630e-01 1.66 -8.441510341e-01 1.281540443e+01 -5.278378713e-01 1.68 -1.394940559e+00 1.051314626e+01 -1.758812673e+00 1.70 -1.883341309e+00 8.394306304e+00 -2.851456617e+00 1.72 -2.313874407e+00 6.449382137e+00 -3.818039987e+00 1.74 -2.690774941e+00 4.669472315e+00 -4.669614938e+00 1.76 -3.018023050e+00 3.046208345e+00 -5.416166997e+00 1.78 -3.299371923e+00 1.571693910e+00 -6.066747631e+00 1.80 -3.538372964e+00 2.384505266e-01 -6.629590276e+00 1.82 -3.738398341e+00 -9.606311561e-01 -7.112211895e+00 1.84 -3.902661073e+00 -2.032335087e+00 -7.521501837e+00 1.86 -4.034232774e+00 -2.983159215e+00 -7.863799550e+00 1.88 -4.136059108e+00 -3.819351128e+00 -8.144962457e+00 1.90 -4.210972956e+00 -4.546940442e+00 -8.370425135e+00 1.92 -4.261705240e+00 -5.171768433e+00 -8.545250736e+00 1.94 -4.290893280e+00 -5.699515351e+00 -8.674175463e+00 1.96 -4.301086513e+00 -6.135725866e+00 -8.761646743e+00 1.98 -4.294749325e+00 -6.485833041e+00 -8.811855646e+00 2.00 -4.274186595e+00 -6.755018292e+00 -8.828467849e+00 2.02 -4.227973160e+00 -6.917538710e+00 -8.757085460e+00 2.04 -4.176603635e+00 -7.018108024e+00 -8.671376262e+00 2.06 -4.121782078e+00 -7.061281004e+00 -8.573751579e+00 2.08 -4.065066675e+00 -7.051540399e+00 -8.466300877e+00 2.10 -4.007920180e+00 -6.993474740e+00 -8.351074664e+00 2.12 -3.951683777e+00 -6.891795985e+00 -8.230069034e+00 2.14 -3.897549404e+00 -6.751360141e+00 -8.105207560e+00 2.16 -3.846531889e+00 -6.577190984e+00 -7.978320545e+00 2.18 -3.799442587e+00 -6.374500711e+00 -7.851121715e+00 2.20 -3.756866398e+00 -6.148591551e+00 -7.725182689e+00 2.22 -3.719143940e+00 -5.904885970e+00 -7.601905743e+00 2.24 -3.686360247e+00 -5.649074918e+00 -7.482495611e+00 2.26 -3.658340607e+00 -5.387133014e+00 -7.367931263e+00 2.28 -3.634653136e+00 -5.125295827e+00 -7.258938730e+00 2.30 -3.614616522e+00 -4.869959873e+00 -7.155966033e+00 2.32 -3.597324030e+00 -4.627557058e+00 -7.059161136e+00 2.34 -3.581719211e+00 -4.404311553e+00 -6.968353474e+00 2.36 -3.566603357e+00 -4.205835439e+00 -6.883039023e+00 2.38 -3.550627835e+00 -4.036729012e+00 -6.802368109e+00 2.40 -3.532288338e+00 -3.900277139e+00 -6.725134135e+00 2.42 -3.510170448e+00 -3.797434212e+00 -6.650237828e+00 2.44 -3.483787199e+00 -3.726327468e+00 -6.578282774e+00 2.46 -3.452931324e+00 -3.682305927e+00 -6.510449154e+00 2.48 -3.417441294e+00 -3.658106866e+00 -6.448059592e+00 2.50 -3.377208932e+00 -3.644307726e+00 -6.392571617e+00 2.52 -3.332378429e+00 -3.631668174e+00 -6.344998652e+00 2.54 -3.283927478e+00 -3.617306516e+00 -6.304115774e+00 2.56 -3.233103079e+00 -3.600127603e+00 -6.267986824e+00 2.58 -3.181238492e+00 -3.579143691e+00 -6.234506038e+00 2.60 -3.129759579e+00 -3.553450951e+00 -6.201403254e+00 2.62 -3.079907571e+00 -3.522825470e+00 -6.166747111e+00 2.64 -3.031853436e+00 -3.488161434e+00 -6.130439918e+00 2.66 -2.985462541e+00 -3.450434733e+00 -6.092746385e+00 2.68 -2.940562683e+00 -3.410512650e+00 -6.053811456e+00 2.70 -2.896942520e+00 -3.369222928e+00 -6.013671052e+00 2.72 -2.854401323e+00 -3.327153697e+00 -5.972323744e+00 2.74 -2.812900936e+00 -3.284511858e+00 -5.929956397e+00 2.76 -2.772412487e+00 -3.241467584e+00 -5.886805275e+00 2.78 -2.732865051e+00 -3.198188478e+00 -5.843099474e+00 2.80 -2.694145323e+00 -3.154837831e+00 -5.799060858e+00 2.82 -2.656119566e+00 -3.111504650e+00 -5.754854824e+00 2.84 -2.618713783e+00 -3.068167045e+00 -5.710442752e+00 2.86 -2.581868556e+00 -3.024810088e+00 -5.665729353e+00 2.88 -2.545519461e+00 -2.981437844e+00 -5.620611662e+00 2.90 -2.509596780e+00 -2.938050087e+00 -5.574978843e+00 2.92 -2.474025215e+00 -2.894643345e+00 -5.528711953e+00 2.94 -2.438723605e+00 -2.851209268e+00 -5.481683646e+00 2.96 -2.403604639e+00 -2.807746599e+00 -5.433757789e+00 2.98 -2.368574569e+00 -2.764251425e+00 -5.384788944e+00 3.00 -2.333532928e+00 -2.720716680e+00 -5.334621793e+00 3.02 -2.298383926e+00 -2.677104227e+00 -5.283105151e+00 3.04 -2.263071378e+00 -2.633337175e+00 -5.230139114e+00 3.06 -2.227543105e+00 -2.589328268e+00 -5.175637057e+00 3.08 -2.191738845e+00 -2.544979464e+00 -5.119511828e+00 3.10 -2.155589556e+00 -2.500189357e+00 -5.061675740e+00 3.12 -2.119040179e+00 -2.454863911e+00 -5.002040506e+00 3.14 -2.082122603e+00 -2.408965347e+00 -4.940517120e+00 3.16 -2.044891306e+00 -2.362476111e+00 -4.877015874e+00 3.18 -2.007401192e+00 -2.315377405e+00 -4.811446333e+00 3.20 -1.969708018e+00 -2.267646878e+00 -4.743717199e+00 3.22 -1.931866409e+00 -2.219326848e+00 -4.673774114e+00 3.24 -1.893928129e+00 -2.170534031e+00 -4.601713504e+00 3.26 -1.855943924e+00 -2.121375139e+00 -4.527668708e+00 3.28 -1.817965555e+00 -2.071962752e+00 -4.451771735e+00 3.30 -1.780045324e+00 -2.022414822e+00 -4.374153205e+00 3.32 -1.742236218e+00 -1.972849084e+00 -4.294952504e+00 3.34 -1.704592133e+00 -1.923373991e+00 -4.214349357e+00 3.36 -1.667167771e+00 -1.874111488e+00 -4.132535773e+00 3.38 -1.630018381e+00 -1.825188258e+00 -4.049706945e+00 3.40 -1.593201299e+00 -1.776728624e+00 -3.966061760e+00 3.42 -1.556768867e+00 -1.728798785e+00 -3.881785968e+00 3.44 -1.520762886e+00 -1.681444632e+00 -3.797003296e+00 3.46 -1.485218338e+00 -1.634717410e+00 -3.711826303e+00 3.48 -1.450174759e+00 -1.588671657e+00 -3.626372409e+00 3.50 -1.415672766e+00 -1.543349873e+00 -3.540765321e+00 3.52 -1.381747288e+00 -1.498736794e+00 -3.455136673e+00 3.54 -1.348427794e+00 -1.454886371e+00 -3.369624561e+00 3.56 -1.315737246e+00 -1.411864883e+00 -3.284376984e+00 3.58 -1.283694576e+00 -1.369739276e+00 -3.199552184e+00 3.60 -1.252325751e+00 -1.328576460e+00 -3.115317878e+00 3.62 -1.221652355e+00 -1.288275983e+00 -3.031848953e+00 3.64 -1.191669192e+00 -1.248265193e+00 -2.949294520e+00 3.66 -1.162377035e+00 -1.208885067e+00 -2.867816123e+00 3.68 -1.133780367e+00 -1.170526124e+00 -2.787587199e+00 3.70 -1.105878308e+00 -1.133504980e+00 -2.708807860e+00 3.72 -1.078652568e+00 -1.098065662e+00 -2.631653237e+00 3.74 -1.052102961e+00 -1.064386473e+00 -2.556170835e+00 3.76 -1.026232025e+00 -1.032596762e+00 -2.482355923e+00 3.78 -1.001042542e+00 -1.003106819e+00 -2.410222407e+00 3.80 -9.765159714e-01 -9.760491047e-01 -2.339762820e+00 3.82 -9.526157586e-01 -9.503834594e-01 -2.270979422e+00 3.84 -9.293504059e-01 -9.252531302e-01 -2.203870480e+00 3.86 -9.067282245e-01 -8.999984076e-01 -2.138395682e+00 3.88 -8.847546257e-01 -8.741258956e-01 -2.074553460e+00 3.90 -8.634317627e-01 -8.472810035e-01 -2.012338284e+00 3.92 -8.427120372e-01 -8.192236436e-01 -1.951682140e+00 3.94 -8.222581517e-01 -7.898068561e-01 -1.892584664e+00 3.96 -8.021766182e-01 -7.589580915e-01 -1.835064290e+00 3.98 -7.826353054e-01 -7.266629303e-01 -1.779026211e+00 4.00 -7.637572978e-01 -6.929396922e-01 -1.724386875e+00 4.02 -7.456278013e-01 -6.576492427e-01 -1.671190197e+00 4.04 -7.282979483e-01 -6.212494866e-01 -1.619469701e+00 4.06 -7.117935920e-01 -5.843366256e-01 -1.568976358e+00 4.08 -6.961212526e-01 -5.474044221e-01 -1.518430146e+00 4.10 -6.812727755e-01 -5.108579619e-01 -1.468691439e+00 4.12 -6.674560111e-01 -4.750246598e-01 -1.420694115e+00 4.14 -6.545637538e-01 -4.401642292e-01 -1.375133581e+00 4.16 -6.422293922e-01 -4.064764987e-01 -1.332487140e+00 4.18 -6.301490649e-01 -3.741091633e-01 -1.293297490e+00 4.20 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