# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Kim-Y-M-Jung-I-H-Lee-B-J--Mg-Li # implementation = 2012--Kim-Y-M--Mg-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 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 nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan 1.135761740e+01 nan nan nan nan 0.80 nan nan nan nan nan 1.078079435e+01 nan nan nan nan 0.82 nan nan nan nan nan 1.022890931e+01 nan nan 1.512094702e+01 nan 0.84 nan nan nan nan nan 9.700888267e+00 nan nan 1.435232433e+01 nan 0.86 nan nan nan nan nan 9.195704891e+00 nan nan 1.361633295e+01 nan 0.88 nan nan nan nan nan 8.712378293e+00 nan nan 1.291164964e+01 nan 0.90 nan 2.093860728e+01 nan nan nan 8.249970933e+00 nan nan 1.223700430e+01 1.551163566e+01 0.92 nan 1.998168958e+01 nan nan nan 7.807586626e+00 1.766145574e+01 nan 1.159117785e+01 1.479145475e+01 0.94 nan 1.906187702e+01 nan nan nan 7.384368640e+00 1.684173698e+01 nan 1.097300011e+01 1.409905667e+01 0.96 nan 1.817777812e+01 nan nan nan 6.979497894e+00 1.605367962e+01 nan 1.038134779e+01 1.343342197e+01 0.98 nan 1.732805544e+01 2.086153383e+01 nan nan 6.592191243e+00 1.529613267e+01 nan 9.815142607e+00 1.279356818e+01 1.00 nan 1.651142321e+01 1.999089153e+01 nan 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 5.344218253e+00 7.620682757e+00 1.20 1.309396764e+01 9.915039798e+00 1.279481940e+01 1.309548318e+01 1.309699908e+01 3.298503685e+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 3.071948492e+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 2.855399280e+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 2.648435188e+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 2.450653426e+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 2.261668474e+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 2.081111324e+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 1.908628743e+00 5.782706227e+00 8.914493518e+00 2.972329467e+00 4.753629543e+00 1.36 9.027378275e+00 6.263115046e+00 8.648558477e+00 9.028503779e+00 9.029629623e+00 1.743882587e+00 5.432722316e+00 8.477265940e+00 2.733091932e+00 4.457378259e+00 1.38 8.595193404e+00 5.885974839e+00 8.211370884e+00 8.596280174e+00 8.597367279e+00 1.586549128e+00 5.097149147e+00 8.055732548e+00 2.504868042e+00 4.173258488e+00 1.40 8.178178892e+00 5.524327817e+00 7.790259332e+00 8.179228810e+00 8.180279060e+00 1.436318425e+00 4.775448411e+00 7.649383440e+00 2.287201122e+00 3.900817078e+00 1.42 7.775852854e+00 5.177595765e+00 7.384689979e+00 7.776867712e+00 7.777882900e+00 1.292893715e+00 4.467101086e+00 7.257724441e+00 2.079652866e+00 3.639617316e+00 1.44 7.387747931e+00 4.845221596e+00 6.994145752e+00 7.388729436e+00 7.389711267e+00 1.155990836e+00 4.171606764e+00 6.880276636e+00 1.881802612e+00 3.389238336e+00 1.46 7.013410870e+00 4.526668556e+00 6.618125844e+00 7.014360644e+00 7.015310740e+00 1.025337675e+00 3.888483001e+00 6.516575914e+00 1.693246637e+00 3.149274556e+00 1.48 6.652402107e+00 4.221419462e+00 6.256145220e+00 6.653321694e+00 6.654241601e+00 9.006736397e-01 3.617264689e+00 6.166172526e+00 1.513597486e+00 2.919335125e+00 1.50 6.304295375e+00 3.928975968e+00 5.907734143e+00 6.305186243e+00 6.306077427e+00 7.817491536e-01 3.357503450e+00 5.828630659e+00 1.342483318e+00 2.699043396e+00 1.52 5.968677309e+00 3.648857868e+00 5.572437708e+00 5.969540855e+00 5.970404714e+00 6.683251759e-01 3.108767053e+00 5.503528017e+00 1.179547294e+00 2.488036419e+00 1.54 5.645147078e+00 3.380602417e+00 5.249815398e+00 5.645984629e+00 5.646822489e+00 5.601727412e-01 2.870638842e+00 5.190455420e+00 1.024446970e+00 2.285964444e+00 1.56 5.333316009e+00 3.123763691e+00 4.939440644e+00 5.334128827e+00 5.334941951e+00 4.570725201e-01 2.642717199e+00 4.889016409e+00 8.768537289e-01 2.092490454e+00 1.58 5.032807242e+00 2.877911956e+00 4.640900405e+00 5.033596525e+00 5.034386112e+00 3.588144001e-01 2.424615010e+00 4.598826867e+00 7.364522284e-01 1.907289704e+00 1.60 4.743255376e+00 2.642633083e+00 4.353794753e+00 4.744022264e+00 4.744789453e+00 2.651970843e-01 2.215959159e+00 4.319514648e+00 6.029398711e-01 1.730049280e+00 1.62 4.464306140e+00 2.417527964e+00 4.077736478e+00 4.465051715e+00 4.465797587e+00 1.760277090e-01 2.016390033e+00 4.050719221e+00 4.760262967e-01 1.560467676e+00 1.64 4.195616063e+00 2.202211970e+00 3.812350701e+00 4.196341352e+00 4.197066936e+00 9.112147756e-02 1.825561052e+00 3.792091318e+00 3.554328939e-01 1.398254381e+00 1.66 3.936852159e+00 1.996314414e+00 3.557274495e+00 3.937558139e+00 3.938264410e+00 1.030130918e-02 1.643138207e+00 3.543292597e+00 2.408923319e-01 1.243129488e+00 1.68 3.687691619e+00 1.799478048e+00 3.312156525e+00 3.688379215e+00 3.689067099e+00 -6.660248866e-02 1.468799618e+00 3.303995313e+00 1.321481095e-01 1.094823309e+00 1.70 3.447821513e+00 1.611358571e+00 3.076656688e+00 3.448491605e+00 3.449161981e+00 -1.397525460e-01 1.302235107e+00 3.073882001e+00 2.895412349e-02 9.530760105e-01 1.72 3.216938498e+00 1.431624157e+00 2.850445775e+00 3.217591919e+00 3.218245622e+00 -2.093047342e-01 1.143145782e+00 2.852645164e+00 -6.892574712e-02 8.176372555e-01 1.74 2.994748537e+00 1.259955006e+00 2.633205135e+00 2.995386078e+00 2.996023898e+00 -2.754084547e-01 9.912436450e-01 2.639986973e+00 -1.617180396e-01 6.882658646e-01 1.76 2.780966624e+00 1.096042907e+00 2.424626351e+00 2.781589036e+00 2.782211724e+00 -3.382069182e-01 8.462512001e-01 2.435618976e+00 -2.496400906e-01 5.647294850e-01 1.78 2.575316520e+00 9.395908172e-01 2.224410926e+00 2.575924514e+00 2.576532781e+00 -3.978374111e-01 7.079010857e-01 2.239261813e+00 -3.329004040e-01 4.468042727e-01 1.80 2.377530491e+00 7.903124632e-01 2.032269979e+00 2.378124741e+00 2.378719262e+00 -4.544315492e-01 5.759357149e-01 2.050644942e+00 -4.116990039e-01 3.342745862e-01 1.82 2.187349060e+00 6.479319494e-01 1.847923949e+00 2.187930205e+00 2.188511618e+00 -5.081155206e-01 4.501069288e-01 1.869506374e+00 -4.862277742e-01 2.269326906e-01 1.84 2.004520760e+00 5.121833864e-01 1.671102307e+00 2.005089405e+00 2.005658316e+00 -5.590103176e-01 3.301756622e-01 1.695592410e+00 -5.566707838e-01 1.245784726e-01 1.86 1.828801899e+00 3.828105315e-01 1.501543278e+00 1.829358617e+00 1.829915599e+00 -6.072319590e-01 2.159116208e-01 1.528657390e+00 -6.232046071e-01 2.701916578e-02 1.88 1.659956328e+00 2.595664423e-01 1.338993571e+00 1.660501663e+00 1.661047258e+00 -6.528917014e-01 1.070929694e-01 1.368463453e+00 -6.859986121e-01 -6.593091473e-02 1.90 1.497755219e+00 1.422131444e-01 1.183208115e+00 1.498289685e+00 1.498824407e+00 -6.960962423e-01 3.506031304e-03 1.214780294e+00 -7.452152244e-01 -1.544506276e-01 1.92 1.341976847e+00 3.052130948e-02 1.033949808e+00 1.342500930e+00 1.343025266e+00 -7.369479135e-01 -9.505500252e-02 1.067384938e+00 -8.010102790e-01 -2.387122518e-01 1.94 1.192406379e+00 -7.573005273e-02 8.909892651e-01 1.192920538e+00 1.193434949e+00 -7.755448665e-01 -1.887883536e-01 9.260615166e-01 -8.535332215e-01 -3.188817243e-01 1.96 1.048835668e+00 -1.767538928e-01 7.541045841e-01 1.049340339e+00 1.049845259e+00 -8.119812488e-01 -2.778849265e-01 7.906010493e-01 -9.029273806e-01 -3.951188693e-01 1.98 9.110630554e-01 -2.727554077e-01 6.230811095e-01 9.115586490e-01 9.120544893e-01 -8.463473739e-01 -3.625285700e-01 6.608012344e-01 -9.493302205e-01 -4.675776186e-01 2.00 7.788931760e-01 -3.639323177e-01 4.977112082e-01 7.793800815e-01 7.798672311e-01 -8.787298824e-01 -4.428963296e-01 5.364662444e-01 -9.928735696e-01 -5.364062255e-01 2.02 6.521367723e-01 -4.504751323e-01 3.777940510e-01 6.526153571e-01 6.530941836e-01 -9.092118966e-01 -5.191586900e-01 4.174065289e-01 -1.033683907e+00 -6.017474725e-01 2.04 5.306105105e-01 -5.325674064e-01 2.631354001e-01 5.310811218e-01 5.315519722e-01 -9.378731689e-01 -5.914798110e-01 3.034386214e-01 -1.071883376e+00 -6.637388833e-01 2.06 4.141368041e-01 -6.103859882e-01 1.535474033e-01 4.145997696e-01 4.150629716e-01 -9.647902223e-01 -6.600177533e-01 1.943849532e-01 -1.107586448e+00 -7.225128280e-01 2.08 3.025436417e-01 -6.841012571e-01 4.884839465e-02 3.029992707e-01 3.034551338e-01 -9.900364864e-01 -7.249246974e-01 9.007367251e-02 -1.140905196e+00 -7.781968508e-01 2.10 1.956644198e-01 -7.538773535e-01 -5.113729976e-02 1.961130043e-01 1.965618205e-01 -1.013682426e+00 -7.863471550e-01 -9.661531341e-03 -1.171946648e+00 -8.309137477e-01 2.12 9.333778103e-02 -8.198724005e-01 -1.465795491e-01 9.377959656e-02 9.422164121e-02 -1.035795665e+00 -8.444261722e-01 -1.049815981e-01 -1.200813320e+00 -8.807817620e-01 2.14 -4.592543287e-03 -8.822387169e-01 -2.376426001e-01 -4.157237091e-03 -3.721704205e-03 -1.056446452e+00 -8.992975265e-01 -1.960422622e-01 -1.227603452e+00 -9.279147501e-01 2.16 -9.827788670e-02 -9.411230236e-01 -3.244852539e-01 -9.784884502e-02 -9.741957905e-02 -1.075755877e+00 -9.510919162e-01 -2.829942128e-01 -1.252411231e+00 -9.724223403e-01 2.18 -1.878647953e-01 -9.966666420e-01 -4.072610370e-01 -1.874417874e-01 -1.870185577e-01 -1.093665732e+00 -9.999351431e-01 -3.659832498e-01 -1.275327071e+00 -1.014410086e+00 2.20 -2.734951723e-01 -1.049005686e+00 -4.861183679e-01 -2.730779809e-01 -2.726605700e-01 -1.110273608e+00 -1.045948290e+00 -4.451504344e-01 -1.296442780e+00 -1.053979615e+00 2.22 -3.553064180e-01 -1.098271265e+00 -5.612007178e-01 -3.548948385e-01 -3.544830419e-01 -1.125648166e+00 -1.089247890e+00 -5.206322361e-01 -1.315836836e+00 -1.091228769e+00 2.24 -4.334315654e-01 -1.144589631e+00 -6.326467672e-01 -4.330254053e-01 -4.326190303e-01 -1.139842291e+00 -1.129946091e+00 -5.925606741e-01 -1.333581367e+00 -1.126251744e+00 2.26 -5.079994124e-01 -1.188082278e+00 -7.005905569e-01 -5.075984905e-01 -5.071973560e-01 -1.152906757e+00 -1.168150817e+00 -6.610634560e-01 -1.349759095e+00 -1.159139220e+00 2.28 -5.791346500e-01 -1.228866318e+00 -7.651616358e-01 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