# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Jelinek-B-Groh-S-Horstemeyer-M-F-et-al--Al-Si-Mg-Cu-Fe # implementation = 2012--Jelinek-B--Al-Si-Mg-Cu-Fe--LAMMPS--ipr2 # composition = SiS # 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 3.195085184e+02 nan nan nan nan 0.80 nan nan nan nan nan 2.953573379e+02 nan nan nan nan 0.82 nan nan nan nan nan 2.732636071e+02 nan nan 5.049011353e+02 nan 0.84 nan nan nan nan nan 2.530186905e+02 nan nan 4.718852476e+02 nan 0.86 nan nan nan nan nan 2.344388477e+02 nan nan 4.414115006e+02 nan 0.88 nan nan nan nan nan 2.173617934e+02 nan nan 4.132331520e+02 nan 0.90 nan 8.071580541e+02 nan nan nan 2.016440041e+02 nan nan 3.871299609e+02 5.520181469e+02 0.92 nan 7.584935575e+02 nan nan nan 1.871066862e+02 4.318157058e+02 nan 3.628688495e+02 5.192439111e+02 0.94 nan 7.131459488e+02 nan nan nan 1.736187075e+02 4.061421524e+02 nan 3.402660228e+02 4.885288824e+02 0.96 nan 6.708538343e+02 nan nan nan 1.611604741e+02 3.822182800e+02 nan 3.192341397e+02 4.598242538e+02 0.98 nan 6.313719559e+02 6.120669016e+02 nan nan 1.496832633e+02 3.599439876e+02 nan 2.996758618e+02 4.330384044e+02 1.00 nan 5.944768886e+02 5.774804088e+02 nan 9.308860374e+02 1.391205711e+02 3.392027967e+02 8.864084872e+02 2.814915755e+02 4.080539054e+02 1.02 8.857916546e+02 5.599708358e+02 5.451705029e+02 8.829951062e+02 8.801985577e+02 1.293976102e+02 3.198731297e+02 8.375890758e+02 2.645863340e+02 3.847417574e+02 1.04 8.379782702e+02 5.276845245e+02 5.149608129e+02 8.353560767e+02 8.327338832e+02 1.204376993e+02 3.018356629e+02 7.918757657e+02 2.488758959e+02 3.629709709e+02 1.06 7.931509274e+02 4.974819389e+02 4.866806315e+02 7.906923818e+02 7.882338361e+02 1.121663870e+02 2.849778675e+02 7.490120134e+02 2.342947109e+02 3.426147567e+02 1.08 7.510662211e+02 4.692740900e+02 4.601699358e+02 7.487612659e+02 7.464563108e+02 1.045139517e+02 2.691965828e+02 7.087629320e+02 2.208146480e+02 3.235542937e+02 1.10 7.115010146e+02 4.430769558e+02 4.352821329e+02 7.093402034e+02 7.071793923e+02 9.741675486e+01 2.543992468e+02 6.709172498e+02 2.085263087e+02 3.056807890e+02 1.12 6.742542188e+02 4.202693429e+02 4.118852484e+02 6.722286790e+02 6.702031392e+02 9.081780074e+01 2.405042528e+02 6.352875822e+02 1.994505721e+02 2.888963715e+02 1.14 6.391470414e+02 3.962899584e+02 3.898620963e+02 6.372484399e+02 6.353498384e+02 8.466676629e+01 2.274407915e+02 6.017097000e+02 1.861528755e+02 2.731142204e+02 1.16 6.060222987e+02 3.721852474e+02 3.691098221e+02 6.042428094e+02 6.024633201e+02 7.891968735e+01 2.151484638e+02 5.700413124e+02 1.737719112e+02 2.582582246e+02 1.18 5.747432547e+02 3.497976454e+02 3.495391323e+02 5.730755277e+02 5.714078008e+02 7.353844031e+01 2.035769379e+02 5.401608041e+02 1.622514503e+02 2.442624056e+02 1.20 5.451923536e+02 3.291969377e+02 3.310734518e+02 5.436294871e+02 5.420666206e+02 6.849011260e+01 1.926859871e+02 5.119663602e+02 1.515310502e+02 2.310702876e+02 1.22 5.172701849e+02 3.109259348e+02 3.136482362e+02 5.158056975e+02 5.143412101e+02 6.374632321e+01 1.824465317e+02 4.853760538e+02 1.415534113e+02 2.186343825e+02 1.24 4.908950877e+02 2.955529976e+02 2.972107109e+02 4.895228935e+02 4.881506993e+02 5.928253130e+01 1.728443270e+02 4.603299529e+02 1.322687916e+02 2.069159958e+02 1.26 4.660040258e+02 2.745384576e+02 2.817204564e+02 4.647184103e+02 4.634327949e+02 5.507733990e+01 1.638924121e+02 4.367967244e+02 1.236347691e+02 1.958856668e+02 1.28 4.425560183e+02 2.549430231e+02 2.671516978e+02 4.413516161e+02 4.401472139e+02 5.111176432e+01 1.556921629e+02 4.147921049e+02 1.156165666e+02 1.855248869e+02 1.30 4.205413197e+02 2.367468322e+02 2.534994271e+02 4.194130933e+02 4.182848669e+02 4.736835121e+01 1.493932786e+02 3.944387992e+02 1.081890288e+02 1.758306924e+02 1.32 4.000060087e+02 2.198706162e+02 2.407957979e+02 3.989492288e+02 3.978924488e+02 4.382975387e+01 1.407223012e+02 3.762956188e+02 1.013425981e+02 1.668279616e+02 1.34 3.811309441e+02 2.042546468e+02 2.291627640e+02 3.801411706e+02 3.791513972e+02 4.047507992e+01 1.327459285e+02 3.635553621e+02 9.510295742e+01 1.586088953e+02 1.36 3.646516914e+02 1.899148352e+02 2.190920336e+02 3.637247566e+02 3.627978217e+02 3.726499696e+01 1.257208499e+02 3.420340646e+02 8.963595081e+01 1.515429828e+02 1.38 3.561352128e+02 1.774766493e+02 2.142961967e+02 3.552672041e+02 3.543991954e+02 3.396360271e+01 1.214944035e+02 3.239832141e+02 8.631670565e+01 1.484153486e+02 1.40 3.326826876e+02 1.640122162e+02 1.995106077e+02 3.318699326e+02 3.310571776e+02 3.157207171e+01 1.124224129e+02 3.019484767e+02 7.940528812e+01 1.377781659e+02 1.42 3.104184629e+02 1.514759396e+02 1.854860209e+02 3.096575146e+02 3.088965663e+02 2.925580395e+01 1.038692373e+02 2.812510277e+02 7.291888587e+01 1.276951332e+02 1.44 2.895613310e+02 1.398380899e+02 1.723694438e+02 2.888489542e+02 2.881365774e+02 2.699826727e+01 9.589830553e+01 2.619026620e+02 6.689956602e+01 1.182771159e+02 1.46 2.700436601e+02 1.290369765e+02 1.601168922e+02 2.693768185e+02 2.687099768e+02 2.481739446e+01 8.847830528e+01 2.438236922e+02 6.131899002e+01 1.094917133e+02 1.48 2.517814562e+02 1.190125356e+02 1.486734332e+02 2.511573002e+02 2.505331443e+02 2.272593774e+01 8.157305875e+01 2.269332510e+02 5.614585684e+01 1.012982916e+02 1.50 2.346954280e+02 1.097088113e+02 1.379872304e+02 2.341112838e+02 2.335271395e+02 2.073203115e+01 7.514845937e+01 2.111556043e+02 5.135109297e+01 9.365851820e+01 1.52 2.187121122e+02 1.010739480e+02 1.280102946e+02 2.181654704e+02 2.176188287e+02 1.884026732e+01 6.917280140e+01 1.964199613e+02 4.690805600e+01 8.653692642e+01 1.54 2.037629883e+02 9.305992482e+01 1.186978959e+02 2.032514947e+02 2.027400010e+02 1.705256592e+01 6.361646233e+01 1.826598230e+02 4.279222821e+01 7.990047450e+01 1.56 1.897836792e+02 8.562224858e+01 1.100080317e+02 1.893051246e+02 1.888265700e+02 1.536883806e+01 5.845162465e+01 1.698125030e+02 3.898087145e+01 7.371814753e+01 1.58 1.767134246e+02 7.871963490e+01 1.019010767e+02 1.762657364e+02 1.758180482e+02 1.378749792e+01 5.365209343e+01 1.578188245e+02 3.545276384e+01 6.796069592e+01 1.60 1.644947597e+02 7.231379116e+01 9.433957077e+01 1.640759935e+02 1.636572274e+02 1.230586159e+01 4.919318307e+01 1.466229297e+02 3.218805485e+01 6.260047642e+01 1.62 1.530733219e+02 6.636923549e+01 8.728809024e+01 1.526816537e+02 1.522899856e+02 1.092046115e+01 4.505164512e+01 1.361721531e+02 2.916816416e+01 5.761135676e+01 1.64 1.423977278e+02 6.085312678e+01 8.071316769e+01 1.420314466e+02 1.416651654e+02 9.627293243e+00 4.120561778e+01 1.264169245e+02 2.637570414e+01 5.296865578e+01 1.66 1.324194857e+02 5.573510197e+01 7.458323451e+01 1.320769865e+02 1.317344872e+02 8.422015726e+00 3.763458457e+01 1.173106828e+02 2.379441610e+01 4.864910100e+01 1.68 1.230929223e+02 5.098711873e+01 6.886857321e+01 1.227726997e+02 1.224524771e+02 7.300102927e+00 3.431933560e+01 1.088097893e+02 2.140911461e+01 4.463079351e+01 1.70 1.143751117e+02 4.658327084e+01 6.354127094e+01 1.140757538e+02 1.137763960e+02 6.256967209e+00 3.124192743e+01 1.008734355e+02 1.920563610e+01 4.089317351e+01 1.72 1.062257988e+02 4.249952670e+01 5.857516962e+01 1.059459816e+02 1.056661645e+02 5.288052977e+00 2.838563971e+01 9.346354229e+01 1.717078960e+01 3.741698357e+01 1.74 9.860731650e+01 3.871355212e+01 5.394581154e+01 9.834579844e+01 9.808428039e+01 4.388908381e+00 2.573492832e+01 8.654465188e+01 1.529230868e+01 3.418422822e+01 1.76 9.148449366e+01 3.520458948e+01 4.963037888e+01 9.124011039e+01 9.099572713e+01 3.555238451e+00 2.327537480e+01 8.008381156e+01 1.355880393e+01 3.117812920e+01 1.78 8.482455542e+01 3.195334702e+01 4.560762831e+01 8.459621526e+01 8.436787510e+01 2.782943240e+00 2.099363138e+01 7.405045211e+01 1.195971581e+01 2.838307674e+01 1.80 7.859701737e+01 2.894189618e+01 4.185782114e+01 7.838369678e+01 7.817037619e+01 2.068143818e+00 1.887734375e+01 6.841626192e+01 1.048526799e+01 2.578457776e+01 1.82 7.277357402e+01 2.615357623e+01 3.836264985e+01 7.257431343e+01 7.237505283e+01 1.407198216e+00 1.691506858e+01 6.315505841e+01 9.126421204e+00 2.336920108e+01 1.84 6.732798406e+01 2.357290556e+01 3.510516237e+01 6.714188390e+01 6.695578374e+01 7.967095336e-01 1.509621583e+01 5.824263305e+01 7.874827978e+00 2.112452113e+01 1.86 6.223595363e+01 2.118549899e+01 3.206968501e+01 6.206217068e+01 6.188838774e+01 2.335277432e-01 1.341099548e+01 5.365651394e+01 6.722788328e+00 1.903906056e+01 1.88 5.747501769e+01 1.897799045e+01 2.924174411e+01 5.731276159e+01 5.715050549e+01 -2.852539015e-01 1.185036504e+01 4.937579596e+01 5.663206355e+00 1.710223179e+01 1.90 5.302436640e+01 1.693795399e+01 2.660795102e+01 5.287289638e+01 5.272142637e+01 -7.623248098e-01 1.040596005e+01 4.538101090e+01 4.689534324e+00 1.530425120e+01 1.92 4.886458387e+01 1.505381833e+01 2.415582859e+01 4.872320571e+01 4.858182755e+01 -1.200215671e+00 9.069996513e+00 4.165397605e+01 3.795695920e+00 1.363600929e+01 1.94 4.497750589e+01 1.331480047e+01 2.187371695e+01 4.484556903e+01 4.471363216e+01 -1.601320383e+00 7.835213951e+00 3.817768818e+01 2.976040265e+00 1.208900044e+01 1.96 4.134613016e+01 1.171084966e+01 1.975071435e+01 4.122302499e+01 4.109991981e+01 -1.967903071e+00 6.694836848e+00 3.493623983e+01 2.225309943e+00 1.065527879e+01 1.98 3.795453444e+01 1.023259582e+01 1.777662316e+01 3.783968979e+01 3.772484514e+01 -2.302104700e+00 5.642539542e+00 3.191474280e+01 1.538611849e+00 9.327418139e+00 2.00 3.478780173e+01 8.871301898e+00 1.594190060e+01 3.468068248e+01 3.457356324e+01 -2.605949344e+00 4.672414130e+00 2.909925786e+01 9.113905152e-01 8.098475252e+00 2.02 3.183195162e+01 7.618819934e+00 1.423761353e+01 3.173205648e+01 3.163216133e+01 -2.881350125e+00 3.778941068e+00 2.647673015e+01 3.394036768e-01 6.961956264e+00 2.04 2.907387704e+01 6.467550403e+00 1.265539678e+01 2.898073641e+01 2.888759578e+01 -3.130114909e+00 2.956962114e+00 2.403492960e+01 -1.813002200e-01 5.911785741e+00 2.06 2.650128599e+01 5.410404583e+00 1.118741489e+01 2.641446004e+01 2.632763408e+01 -3.353951687e+00 2.201655460e+00 2.176239585e+01 -6.544026777e-01 4.942278233e+00 2.08 2.410264779e+01 4.440769699e+00 9.826326764e+00 2.402172457e+01 2.394080135e+01 -3.554473692e+00 1.508512808e+00 1.964838748e+01 -1.083334185e+00 4.048112036e+00 2.10 2.186714327e+01 3.552476587e+00 8.565252916e+00 2.179173701e+01 2.171633075e+01 -3.733204301e+00 8.733181650e-01 1.768283482e+01 -1.471291800e+00 3.224304901e+00 2.12 1.978461870e+01 2.739769705e+00 7.397745261e+00 1.971436816e+01 1.964411761e+01 -3.891581650e+00 2.921282807e-01 1.585629630e+01 -1.821255365e+00 2.466191610e+00 2.14 1.784554306e+01 1.997279272e+00 6.317759055e+00 1.778011000e+01 1.771467694e+01 -4.030963051e+00 -2.387454928e-01 1.415991788e+01 -2.136002511e+00 1.769403178e+00 2.16 1.604096830e+01 1.319995380e+00 5.319626835e+00 1.598003605e+01 1.591910380e+01 -4.152629187e+00 -7.227540204e-01 1.258539538e+01 -2.418122548e+00 1.129847537e+00 2.18 1.436249246e+01 7.032439309e-01 4.398034263e+00 1.430576457e+01 1.424903668e+01 -4.257788085e+00 -1.163125966e+00 1.112493941e+01 -2.670029317e+00 5.436916384e-01 2.20 1.280222529e+01 1.426642446e-01 3.547997610e+00 1.274942427e+01 1.269662325e+01 -4.347578912e+00 -1.562882294e+00 9.771242770e+00 -2.893973120e+00 7.344782273e-03 2.22 1.135275628e+01 -3.658117867e-01 2.764842802e+00 1.130362241e+01 1.125448854e+01 -4.423075577e+00 -1.924849740e+00 8.517449969e+00 -3.092051784e+00 -4.825568925e-01 2.24 1.000712481e+01 -8.259790978e-01 2.044185930e+00 9.961415033e+00 9.915705254e+00 -4.485290136e+00 -2.251673339e+00 7.357128933e+00 -3.266220925e+00 -9.291648279e-01 2.26 8.758792324e+00 -1.241377537e+00 1.381915024e+00 8.716279183e+00 8.673766042e+00 -4.535176060e+00 -2.545828106e+00 6.284244512e+00 -3.418303503e+00 -1.335431523e+00 2.28 7.601616315e+00 -1.615308712e+00 7.741730870e-01 7.562086993e+00 7.522557672e+00 -4.573631317e+00 -2.809629914e+00 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