# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Kim-Y-M-Jung-I-H-Lee-B-J--Li # implementation = 2012--Kim-Y-M--Li--LAMMPS--ipr1 # composition = Li # 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 1.701656665e+01 nan nan nan nan 0.64 nan nan nan nan nan 1.619501630e+01 nan nan nan nan 0.66 nan nan nan nan nan 1.540902363e+01 nan nan 2.262294485e+01 nan 0.68 nan nan nan nan nan 1.465703641e+01 nan nan 2.153843007e+01 nan 0.70 nan nan nan nan nan 1.393757322e+01 nan nan 2.049935239e+01 nan 0.72 nan 3.148040159e+01 nan nan nan 1.324921988e+01 nan nan 1.950386836e+01 2.343198034e+01 0.74 nan 3.011665037e+01 nan nan nan 1.259062612e+01 2.667588543e+01 nan 1.855021026e+01 2.240900626e+01 0.76 nan 2.880542276e+01 nan nan nan 1.196050249e+01 2.551187215e+01 nan 1.763668268e+01 2.142491680e+01 0.78 nan 2.754470890e+01 3.146703167e+01 nan nan 1.135761740e+01 2.439199305e+01 nan 1.676165930e+01 2.047828535e+01 0.80 nan 2.633258176e+01 3.023341422e+01 nan 2.981009851e+01 1.078079435e+01 2.331465132e+01 2.904107007e+01 1.592357979e+01 1.956773834e+01 0.82 2.867504652e+01 2.516719307e+01 2.904163192e+01 2.867840730e+01 2.868176852e+01 1.022890931e+01 2.227830789e+01 2.791409264e+01 1.512094702e+01 1.869195293e+01 0.84 2.758381659e+01 2.404676953e+01 2.789034759e+01 2.758703281e+01 2.759024946e+01 9.700888267e+00 2.128147907e+01 2.682473601e+01 1.435232433e+01 1.784965502e+01 0.86 2.652824986e+01 2.296960918e+01 2.677826659e+01 2.653132822e+01 2.653440700e+01 9.195704892e+00 2.032273436e+01 2.577181556e+01 1.361633295e+01 1.703961727e+01 0.88 2.550724767e+01 2.193407811e+01 2.570413527e+01 2.551019456e+01 2.551314187e+01 8.712378293e+00 1.940069443e+01 2.475418388e+01 1.291164964e+01 1.626065724e+01 0.90 2.451974513e+01 2.093860728e+01 2.466673944e+01 2.452256667e+01 2.452538862e+01 8.249970933e+00 1.851402916e+01 2.377072945e+01 1.223700430e+01 1.551163566e+01 0.92 2.356470992e+01 1.998168958e+01 2.366490304e+01 2.356741196e+01 2.357011441e+01 7.807586626e+00 1.766145574e+01 2.282037532e+01 1.159117785e+01 1.479145475e+01 0.94 2.264114117e+01 1.906187702e+01 2.269748676e+01 2.264372930e+01 2.264631784e+01 7.384368640e+00 1.684173698e+01 2.190207794e+01 1.097300011e+01 1.409905667e+01 0.96 2.174806836e+01 1.817777812e+01 2.176338683e+01 2.175054792e+01 2.175302788e+01 6.979497894e+00 1.605367962e+01 2.101482599e+01 1.038134779e+01 1.343342197e+01 0.98 2.088455031e+01 1.732805544e+01 2.086153383e+01 2.088692639e+01 2.088930288e+01 6.592191243e+00 1.529613267e+01 2.015763931e+01 9.815142607e+00 1.279356818e+01 1.00 2.004967421e+01 1.651142321e+01 1.999089153e+01 2.005195169e+01 2.005422957e+01 6.221699844e+00 1.456798597e+01 1.932956788e+01 9.273349473e+00 1.217854842e+01 1.02 1.924255470e+01 1.572664513e+01 1.915045589e+01 1.924473824e+01 1.924692217e+01 5.867307601e+00 1.386816866e+01 1.852969082e+01 8.754974729e+00 1.158745010e+01 1.04 1.846233302e+01 1.497253224e+01 1.833925394e+01 1.846442705e+01 1.846652148e+01 5.528329688e+00 1.319564781e+01 1.775711546e+01 8.259064493e+00 1.101939365e+01 1.06 1.770817613e+01 1.424794097e+01 1.755634285e+01 1.771018490e+01 1.771219406e+01 5.204111136e+00 1.254942707e+01 1.701097646e+01 7.784703062e+00 1.047353129e+01 1.08 1.697927594e+01 1.355177121e+01 1.680080900e+01 1.698120350e+01 1.698313144e+01 4.894025492e+00 1.192854536e+01 1.629043494e+01 7.331011383e+00 9.949045898e+00 1.10 1.627484854e+01 1.288296451e+01 1.607176702e+01 1.627669875e+01 1.627854935e+01 4.597473537e+00 1.133207564e+01 1.559467766e+01 6.897145588e+00 9.445149895e+00 1.12 1.559413344e+01 1.224050239e+01 1.536835895e+01 1.559590999e+01 1.559768693e+01 4.313882065e+00 1.075912372e+01 1.492291621e+01 6.482295588e+00 8.961084150e+00 1.14 1.493639289e+01 1.162340471e+01 1.468975340e+01 1.493809930e+01 1.493980610e+01 4.042702721e+00 1.020882709e+01 1.427438628e+01 6.085683727e+00 8.496116968e+00 1.16 1.430091117e+01 1.103072811e+01 1.403514471e+01 1.430255080e+01 1.430419081e+01 3.783410888e+00 9.680353832e+00 1.364834690e+01 5.706563488e+00 8.049543093e+00 1.18 1.368699395e+01 1.046156453e+01 1.340375220e+01 1.368857001e+01 1.369014644e+01 3.535504631e+00 9.172901538e+00 1.304407976e+01 5.344218254e+00 7.620682757e+00 1.20 1.309396764e+01 9.915039798e+00 1.279481940e+01 1.309548318e+01 1.309699908e+01 3.298503682e+00 8.685696286e+00 1.246088847e+01 4.997960117e+00 7.208880762e+00 1.22 1.252117881e+01 9.390312313e+00 1.220761331e+01 1.252263673e+01 1.252409502e+01 3.071948489e+00 8.217991647e+00 1.189809796e+01 4.667128737e+00 6.813505595e+00 1.24 1.196799352e+01 8.886571723e+00 1.164142369e+01 1.196939661e+01 1.197080007e+01 2.855399277e+00 7.769067724e+00 1.135505382e+01 4.351090245e+00 6.433948577e+00 1.26 1.143379685e+01 8.403037724e+00 1.109556239e+01 1.143514775e+01 1.143649901e+01 2.648435186e+00 7.338230234e+00 1.083112167e+01 4.049236189e+00 6.069623044e+00 1.28 1.091799224e+01 7.938958873e+00 1.056936265e+01 1.091929348e+01 1.092059507e+01 2.450653423e+00 6.924809612e+00 1.032568655e+01 3.760982527e+00 5.719963556e+00 1.30 1.042000103e+01 7.493611477e+00 1.006217852e+01 1.042125500e+01 1.042250933e+01 2.261668472e+00 6.528160150e+00 9.838152394e+00 3.485768651e+00 5.384425137e+00 1.32 9.939261891e+00 7.066298514e+00 9.573384142e+00 9.940470898e+00 9.941680251e+00 2.081111321e+00 6.147659172e+00 9.367941396e+00 3.223056461e+00 5.062482541e+00 1.34 9.475230351e+00 6.656348608e+00 9.102373243e+00 9.476396568e+00 9.477563128e+00 1.908628741e+00 5.782706227e+00 8.914493518e+00 2.972329445e+00 4.753629543e+00 1.36 9.027378275e+00 6.263115046e+00 8.648558477e+00 9.028503779e+00 9.029629623e+00 1.743882584e+00 5.432722316e+00 8.477265940e+00 2.733091893e+00 4.457378259e+00 1.38 8.595193404e+00 5.885974839e+00 8.211370884e+00 8.596280174e+00 8.597367279e+00 1.586549126e+00 5.097149147e+00 8.055732548e+00 2.504868002e+00 4.173258488e+00 1.40 8.178178892e+00 5.524327817e+00 7.790259332e+00 8.179228810e+00 8.180279060e+00 1.436318422e+00 4.775448411e+00 7.649383440e+00 2.287201080e+00 3.900817078e+00 1.42 7.775852854e+00 5.177595765e+00 7.384689979e+00 7.776867712e+00 7.777882900e+00 1.292893712e+00 4.467101086e+00 7.257724441e+00 2.079652825e+00 3.639617316e+00 1.44 7.387747931e+00 4.845221596e+00 6.994145752e+00 7.388729436e+00 7.389711267e+00 1.155990833e+00 4.171606764e+00 6.880276636e+00 1.881802564e+00 3.389238336e+00 1.46 7.013410870e+00 4.526668556e+00 6.618125844e+00 7.014360644e+00 7.015310740e+00 1.025337672e+00 3.888483001e+00 6.516575914e+00 1.693245667e+00 3.149274529e+00 1.48 6.652402107e+00 4.221419462e+00 6.256145220e+00 6.653321694e+00 6.654241601e+00 9.006736370e-01 3.617264689e+00 6.166172526e+00 1.513595241e+00 2.919335078e+00 1.50 6.304295375e+00 3.928975968e+00 5.907734143e+00 6.305186243e+00 6.306077428e+00 7.817491510e-01 3.357503450e+00 5.828630659e+00 1.342481093e+00 2.699043351e+00 1.52 5.968677309e+00 3.648857868e+00 5.572437708e+00 5.969540856e+00 5.970404714e+00 6.683251587e-01 3.108767053e+00 5.503528017e+00 1.179545140e+00 2.488036374e+00 1.54 5.645147078e+00 3.380602417e+00 5.249815398e+00 5.645984629e+00 5.646822489e+00 5.601614387e-01 2.870638842e+00 5.190455420e+00 1.024444880e+00 2.285964401e+00 1.56 5.333316009e+00 3.123763691e+00 4.939440645e+00 5.334128827e+00 5.334941951e+00 4.570196435e-01 2.642717199e+00 4.889016409e+00 8.768515370e-01 2.092490412e+00 1.58 5.032807242e+00 2.877911953e+00 4.640900405e+00 5.033596525e+00 5.034386112e+00 3.587658711e-01 2.424615010e+00 4.598826867e+00 7.364421879e-01 1.907289663e+00 1.60 4.743255376e+00 2.642633009e+00 4.353794753e+00 4.744022264e+00 4.744789453e+00 2.651519404e-01 2.215959159e+00 4.319514648e+00 6.029200608e-01 1.730049240e+00 1.62 4.464306140e+00 2.417527844e+00 4.077736478e+00 4.465051715e+00 4.465797587e+00 1.759850922e-01 2.016390008e+00 4.050719221e+00 4.760069907e-01 1.560467636e+00 1.64 4.195616063e+00 2.202211852e+00 3.812350701e+00 4.196341352e+00 4.197066936e+00 9.108062558e-02 1.825558421e+00 3.792091318e+00 3.554140467e-01 1.398254342e+00 1.66 3.936852159e+00 1.996314300e+00 3.557274495e+00 3.937558139e+00 3.938264410e+00 1.026154874e-02 1.643129128e+00 3.543292597e+00 2.408739026e-01 1.243129449e+00 1.68 3.687691619e+00 1.799477937e+00 3.312156525e+00 3.688379215e+00 3.689067100e+00 -6.664175382e-02 1.468790449e+00 3.303995313e+00 1.321300615e-01 1.094823271e+00 1.70 3.447821513e+00 1.611358462e+00 3.076656688e+00 3.448491605e+00 3.449161981e+00 -1.397918399e-01 1.302200799e+00 3.073882001e+00 2.893642405e-02 9.530759733e-01 1.72 3.216938498e+00 1.431624050e+00 2.850445775e+00 3.217591919e+00 3.218245622e+00 -2.093445136e-01 1.143045700e+00 2.852645164e+00 -6.894312732e-02 8.176372189e-01 1.74 2.994748537e+00 1.259954902e+00 2.633205135e+00 2.995386078e+00 2.996023898e+00 -2.754491166e-01 9.911465990e-01 2.639986973e+00 -1.617351267e-01 6.882658285e-01 1.76 2.780966624e+00 1.096042576e+00 2.424626351e+00 2.781589036e+00 2.782211724e+00 -3.382488052e-01 8.461570097e-01 2.435618976e+00 -2.496569079e-01 5.647294494e-01 1.78 2.575316520e+00 9.395738702e-01 2.224410926e+00 2.575924514e+00 2.576532781e+00 -3.978808164e-01 7.078095492e-01 2.239261812e+00 -3.329169722e-01 4.468042376e-01 1.80 2.377530491e+00 7.902448294e-01 2.032269979e+00 2.378124741e+00 2.378719262e+00 -4.544767213e-01 5.758466466e-01 2.050644942e+00 -4.117153414e-01 3.342745516e-01 1.82 2.187349060e+00 6.478661241e-01 1.847923949e+00 2.187930205e+00 2.188511618e+00 -5.081626676e-01 4.500201583e-01 1.869506374e+00 -4.862592694e-01 2.269326564e-01 1.84 2.004520760e+00 5.121192287e-01 1.671101645e+00 2.005089405e+00 2.005658316e+00 -5.588942929e-01 3.300910330e-01 1.695592410e+00 -5.574533117e-01 1.245784389e-01 1.86 1.828801899e+00 3.827479133e-01 1.501514129e+00 1.829358617e+00 1.829915599e+00 -5.990242784e-01 2.158289894e-01 1.528657390e+00 -6.260052677e-01 2.701913245e-02 1.88 1.659956328e+00 2.594998752e-01 1.338887589e+00 1.660501663e+00 1.661047258e+00 -6.148940348e-01 1.070122041e-01 1.368463452e+00 -6.886549666e-01 -6.593094766e-02 1.90 1.497755219e+00 1.416441267e-01 1.183104858e+00 1.498289685e+00 1.498824408e+00 -6.582150947e-01 3.427011452e-03 1.214780293e+00 -7.475979887e-01 -1.544506601e-01 1.92 1.341976847e+00 2.778961364e-02 1.033849112e+00 1.342500930e+00 1.343025266e+00 -6.992902215e-01 -9.513238746e-02 1.067384938e+00 -8.032275677e-01 -2.387122840e-01 1.94 1.192406379e+00 -7.861003492e-02 8.908909798e-01 1.192920538e+00 1.193434949e+00 -7.382067317e-01 -1.888642048e-01 9.260615165e-01 -8.556415290e-01 -3.188817562e-01 1.96 1.048835668e+00 -1.796261425e-01 7.540085681e-01 1.049340339e+00 1.049845259e+00 -7.750491095e-01 -2.779593364e-01 7.905946029e-01 -9.049590937e-01 -3.951189007e-01 1.98 9.110630554e-01 -2.766385537e-01 6.229872323e-01 9.115586490e-01 9.120544893e-01 -8.098987098e-01 -3.626016232e-01 6.606976137e-01 -9.518582651e-01 -4.675776498e-01 2.00 7.788931760e-01 -3.693014783e-01 4.976193489e-01 7.793800815e-01 7.798672312e-01 -8.428338746e-01 -4.429681034e-01 5.362222344e-01 -9.964863971e-01 -5.364062563e-01 2.02 6.521367723e-01 -4.556934786e-01 3.777040975e-01 6.526153572e-01 6.530941836e-01 -8.739300446e-01 -5.192292550e-01 4.171343620e-01 -1.037013944e+00 -6.017474998e-01 2.04 5.305760333e-01 -5.377027991e-01 2.630472486e-01 5.310508853e-01 5.315259676e-01 -9.032598676e-01 -5.915492316e-01 3.027240021e-01 -1.074933870e+00 -6.639280972e-01 2.06 4.136176626e-01 -6.162027157e-01 1.534609578e-01 4.141444541e-01 4.146713508e-01 -9.308933018e-01 -6.600860882e-01 1.930454811e-01 -1.110392944e+00 -7.252373688e-01 2.08 3.012230118e-01 -6.911020501e-01 4.876356597e-02 3.018409201e-01 3.024587248e-01 -9.568977158e-01 -7.249920001e-01 8.876793276e-02 -1.143499843e+00 -7.847134090e-01 2.10 1.943777309e-01 -7.606888376e-01 -5.122059388e-02 1.949843777e-01 1.955909237e-01 -9.813379846e-01 -7.864134743e-01 -1.093559009e-02 -1.174358840e+00 -8.371171830e-01 2.12 9.208297815e-02 -8.265064808e-01 -1.466613848e-01 9.267889644e-02 9.327471677e-02 -1.004276582e+00 -8.444915525e-01 -1.062258875e-01 -1.203069980e+00 -8.867006064e-01 2.14 -5.817377385e-03 -8.887064854e-01 -2.377230479e-01 -5.231687638e-03 -4.646093098e-03 -1.025773669e+00 -8.993625171e-01 -1.972585628e-01 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