# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Hale-L-M-Wong-B-M-Zimmerman-J-A-Zhou-X-W--Pd-Ag-H-Morse # implementation = 2013--Hale-L-M--Pd-Ag-H-Morse--LAMMPS--ipr1 # composition = Ag3H # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 1.294704965e+02 nan nan 0.96 1.201711212e+02 nan nan 0.98 1.116441079e+02 nan nan 1.00 1.038093707e+02 nan nan 1.02 9.663406055e+01 nan nan 1.04 9.005672082e+01 1.231416061e+02 nan 1.06 8.399357078e+01 1.150015276e+02 1.275541273e+02 1.08 7.840411804e+01 1.075599757e+02 1.193701186e+02 1.10 7.327074911e+01 1.007030621e+02 1.118355131e+02 1.12 6.852863820e+01 9.430711897e+01 1.048502252e+02 1.14 6.416927625e+01 8.838064048e+01 9.834567559e+01 1.16 6.019426949e+01 8.295530937e+01 9.234166376e+01 1.18 5.655063601e+01 7.794526272e+01 8.679297238e+01 1.20 5.318781787e+01 7.327277769e+01 8.164102282e+01 1.22 5.011069744e+01 6.892474450e+01 7.687491911e+01 1.24 4.729147266e+01 6.492651480e+01 7.247988918e+01 1.26 4.468544232e+01 6.125444400e+01 6.840144717e+01 1.28 4.225491133e+01 5.783489482e+01 6.457961915e+01 1.30 4.001621613e+01 5.461460407e+01 6.101522111e+01 1.32 3.796388258e+01 5.159720628e+01 5.774911419e+01 1.34 3.605675225e+01 4.879652206e+01 5.474058904e+01 1.36 3.426345686e+01 4.621765311e+01 5.192734474e+01 1.38 3.258262985e+01 4.386464310e+01 4.927120250e+01 1.40 3.103078682e+01 4.171214260e+01 4.678722921e+01 1.42 2.957370357e+01 3.971380326e+01 4.448345665e+01 1.44 2.807846785e+01 3.783787637e+01 4.234765409e+01 1.46 2.655455244e+01 3.607726567e+01 4.034500843e+01 1.48 2.502386938e+01 3.443803553e+01 3.845297975e+01 1.50 2.351707885e+01 3.291314006e+01 3.666594036e+01 1.52 2.204649554e+01 3.148730652e+01 3.499487612e+01 1.54 2.061788290e+01 3.012537404e+01 3.343646292e+01 1.56 1.924109525e+01 2.874642179e+01 3.198872646e+01 1.58 1.791899018e+01 2.734336822e+01 3.065452887e+01 1.60 1.665269964e+01 2.593921681e+01 2.936189897e+01 1.62 1.544080824e+01 2.454229802e+01 2.803129576e+01 1.64 1.428249214e+01 2.316008194e+01 2.666995614e+01 1.66 1.318063993e+01 2.180349570e+01 2.529114680e+01 1.68 1.213384110e+01 2.049061142e+01 2.392036005e+01 1.70 1.114025722e+01 1.922664406e+01 2.257095137e+01 1.72 1.019864805e+01 1.801124289e+01 2.125067624e+01 1.74 9.311343282e+00 1.684288606e+01 1.996530212e+01 1.76 8.486173153e+00 1.572188623e+01 1.872065822e+01 1.78 7.712666995e+00 1.464953797e+01 1.753487896e+01 1.80 6.978636031e+00 1.362528863e+01 1.641159891e+01 1.82 6.274674203e+00 1.265152955e+01 1.533966907e+01 1.84 5.596088500e+00 1.173022167e+01 1.430928951e+01 1.86 4.948816067e+00 1.085704550e+01 1.331406500e+01 1.88 4.336879647e+00 1.003182935e+01 1.235384449e+01 1.90 3.757140973e+00 9.245657121e+00 1.144049997e+01 1.92 3.208613473e+00 8.489892619e+00 1.057439319e+01 1.94 2.692071882e+00 7.763667402e+00 9.751298804e+00 1.96 2.208152875e+00 7.065894837e+00 8.970120132e+00 1.98 1.756837993e+00 6.395088860e+00 8.230177459e+00 2.00 1.336894541e+00 5.755348388e+00 7.530251887e+00 2.02 9.458060653e-01 5.146488190e+00 6.868715299e+00 2.04 5.837611006e-01 4.567470384e+00 6.242650574e+00 2.06 2.553554112e-01 4.018908442e+00 5.648518963e+00 2.08 -4.266116806e-02 3.501153686e+00 5.084523355e+00 2.10 -3.149709953e-01 3.013204795e+00 4.553131281e+00 2.12 -5.657783304e-01 2.554450786e+00 4.054746651e+00 2.14 -7.981734597e-01 2.123689258e+00 3.584523050e+00 2.16 -1.013792589e+00 1.718902766e+00 3.137696527e+00 2.18 -1.210256829e+00 1.338842031e+00 2.710299020e+00 2.20 -1.385250657e+00 9.822612037e-01 2.299578412e+00 2.22 -1.540175609e+00 6.480297566e-01 1.904464288e+00 2.24 -1.676772571e+00 3.352029600e-01 1.528476789e+00 2.26 -1.796314622e+00 4.297775507e-02 1.172205096e+00 2.28 -1.900315601e+00 -2.293251978e-01 8.342610678e-01 2.30 -1.990589838e+00 -4.822881513e-01 5.139263311e-01 2.32 -2.068997625e+00 -7.164351545e-01 2.113809064e-01 2.34 -2.136828437e+00 -9.316555305e-01 -7.308599734e-02 2.36 -2.195225073e+00 -1.127313033e+00 -3.392292650e-01 2.38 -2.244951033e+00 -1.304776780e+00 -5.869657857e-01 2.40 -2.286565785e+00 -1.465694319e+00 -8.164885544e-01 2.42 -2.320580445e+00 -1.611769430e+00 -1.028622074e+00 2.44 -2.347482196e+00 -1.743576285e+00 -1.223814405e+00 2.46 -2.367754524e+00 -1.858476031e+00 -1.402503906e+00 2.48 -2.381887702e+00 -1.958552160e+00 -1.565287741e+00 2.50 -2.390372505e+00 -2.045588311e+00 -1.712901726e+00 2.52 -2.393678887e+00 -2.122026789e+00 -1.846171756e+00 2.54 -2.392131597e+00 -2.190411591e+00 -1.965805819e+00 2.56 -2.385893212e+00 -2.252624767e+00 -2.072286526e+00 2.58 -2.375376669e+00 -2.309618546e+00 -2.166311872e+00 2.60 -2.359580920e+00 -2.360476421e+00 -2.248584933e+00 2.62 -2.338124445e+00 -2.402596145e+00 -2.319801850e+00 2.64 -2.312230350e+00 -2.436217607e+00 -2.380587801e+00 2.66 -2.283148639e+00 -2.461774676e+00 -2.431484819e+00 2.68 -2.252010325e+00 -2.479585157e+00 -2.472928161e+00 2.70 -2.219571117e+00 -2.490009499e+00 -2.503651322e+00 2.72 -2.186469867e+00 -2.493507634e+00 -2.521287801e+00 2.74 -2.153152971e+00 -2.490672316e+00 -2.527808700e+00 2.76 -2.119365047e+00 -2.482226466e+00 -2.525670893e+00 2.78 -2.084053745e+00 -2.468987540e+00 -2.517427803e+00 2.80 -2.047454415e+00 -2.451815882e+00 -2.505505272e+00 2.82 -2.009686819e+00 -2.431421125e+00 -2.492004875e+00 2.84 -1.970779383e+00 -2.408450420e+00 -2.478397453e+00 2.86 -1.930942524e+00 -2.383335533e+00 -2.465222533e+00 2.88 -1.890404772e+00 -2.356401107e+00 -2.450562505e+00 2.90 -1.849437070e+00 -2.327937239e+00 -2.433255955e+00 2.92 -1.808334364e+00 -2.298207035e+00 -2.413505472e+00 2.94 -1.767102700e+00 -2.267434498e+00 -2.391305069e+00 2.96 -1.725987442e+00 -2.235793143e+00 -2.366716023e+00 2.98 -1.685280781e+00 -2.203403137e+00 -2.339927797e+00 3.00 -1.644949987e+00 -2.170339305e+00 -2.311186070e+00 3.02 -1.605230103e+00 -2.136646463e+00 -2.280781568e+00 3.04 -1.566314512e+00 -2.102354880e+00 -2.249027330e+00 3.06 -1.528305396e+00 -2.067492852e+00 -2.216232174e+00 3.08 -1.491219895e+00 -2.032094769e+00 -2.182675842e+00 3.10 -1.454957298e+00 -1.996158801e+00 -2.148515796e+00 3.12 -1.419206238e+00 -1.959299627e+00 -2.113573357e+00 3.14 -1.383896038e+00 -1.921577755e+00 -2.077947038e+00 3.16 -1.349004050e+00 -1.883231933e+00 -2.041789040e+00 3.18 -1.314523268e+00 -1.844518900e+00 -2.005260142e+00 3.20 -1.280460661e+00 -1.805686872e+00 -1.968524018e+00 3.22 -1.246834335e+00 -1.766954363e+00 -1.931736849e+00 3.24 -1.213667607e+00 -1.728494911e+00 -1.895034177e+00 3.26 -1.180982541e+00 -1.690429176e+00 -1.858518913e+00 3.28 -1.148799114e+00 -1.652816600e+00 -1.822254752e+00 3.30 -1.117135319e+00 -1.615409026e+00 -1.786267451e+00 3.32 -1.086007217e+00 -1.578126458e+00 -1.750553237e+00 3.34 -1.055428977e+00 -1.541047245e+00 -1.715091041e+00 3.36 -1.025412855e+00 -1.504259188e+00 -1.679854612e+00 3.38 -9.959691711e-01 -1.467857021e+00 -1.644821725e+00 3.40 -9.671063911e-01 -1.431936777e+00 -1.609979483e+00 3.42 -9.388312371e-01 -1.396587521e+00 -1.575326205e+00 3.44 -9.111487853e-01 -1.361882144e+00 -1.540870984e+00 3.46 -8.840625702e-01 -1.327869774e+00 -1.506632035e+00 3.48 -8.575746884e-01 -1.294572213e+00 -1.472634418e+00 3.50 -8.316858894e-01 -1.261985504e+00 -1.438905302e+00 3.52 -8.063956650e-01 -1.230085899e+00 -1.405469964e+00 3.54 -7.817023514e-01 -1.198838093e+00 -1.372351460e+00 3.56 -7.576032022e-01 -1.168203351e+00 -1.339570685e+00 3.58 -7.340944806e-01 -1.138145813e+00 -1.307119340e+00 3.60 -7.111715347e-01 -1.108636336e+00 -1.274833084e+00 3.62 -6.888288732e-01 -1.079654072e+00 -1.242735457e+00 3.64 -6.670602414e-01 -1.051186418e+00 -1.210902030e+00 3.66 -6.458586820e-01 -1.023228045e+00 -1.179413602e+00 3.68 -6.252166091e-01 -9.957795301e-01 -1.148349611e+00 3.70 -6.051258595e-01 -9.688451714e-01 -1.117782244e+00 3.72 -5.855777558e-01 -9.424293117e-01 -1.087771828e+00 3.74 -5.665631598e-01 -9.165351659e-01 -1.058363837e+00 3.76 -5.480725132e-01 -8.911648718e-01 -1.029587674e+00 3.78 -5.300958998e-01 -8.663195523e-01 -1.001457153e+00 3.80 -5.126230663e-01 -8.419993724e-01 -9.739129360e-01 3.82 -4.956434812e-01 -8.182036132e-01 -9.468573116e-01 3.84 -4.791463556e-01 -7.949307138e-01 -9.203054800e-01 3.86 -4.631206811e-01 -7.721783432e-01 -8.942779640e-01 3.88 -4.475552570e-01 -7.499434449e-01 -8.687983009e-01 3.90 -4.324387109e-01 -7.282222967e-01 -8.438919614e-01 3.92 -4.177595322e-01 -7.070105543e-01 -8.195844762e-01 3.94 -4.035060760e-01 -6.863033094e-01 -7.958988936e-01 3.96 -3.896665824e-01 -6.660951234e-01 -7.728529455e-01 3.98 -3.762292081e-01 -6.463800861e-01 -7.504565707e-01 4.00 -3.631820149e-01 -6.271518427e-01 -7.287103176e-01 4.02 -3.505129806e-01 -6.084035510e-01 -7.076051204e-01 4.04 -3.382100202e-01 -5.900068286e-01 -6.871234066e-01 4.06 -3.262610070e-01 -5.715699833e-01 -6.672412832e-01 4.08 -3.146537460e-01 -5.531415141e-01 -6.479311824e-01 4.10 -3.033759998e-01 -5.348252325e-01 -6.291644589e-01 4.12 -2.924155117e-01 -5.167357941e-01 -6.109134826e-01 4.14 -2.817600587e-01 -4.989909027e-01 -5.931530541e-01 4.16 -2.713938437e-01 -4.817038473e-01 -5.758611720e-01 4.18 -2.607333337e-01 -4.649767947e-01 -5.590192181e-01 4.20 -2.493803073e-01 -4.488952157e-01 -5.426118193e-01 4.22 -2.375078294e-01 -4.335236154e-01 -5.266264761e-01 4.24 -2.253156125e-01 -4.189027682e-01 -5.110530988e-01 4.26 -2.130192431e-01 -4.050485429e-01 -4.958834998e-01 4.28 -2.008371781e-01 -3.919521330e-01 -4.811102451e-01 4.30 -1.889785856e-01 -3.795037198e-01 -4.667258470e-01 4.32 -1.776326405e-01 -3.674126401e-01 -4.527227432e-01 4.34 -1.669597965e-01 -3.556482193e-01 -4.390932989e-01 4.36 -1.570854748e-01 -3.442015111e-01 -4.258298217e-01 4.38 -1.480961541e-01 -3.330389006e-01 -4.129245947e-01 4.40 -1.400378044e-01 -3.218337177e-01 -4.003698772e-01 4.42 -1.329169606e-01 -3.105230158e-01 -3.881579175e-01 4.44 -1.265703622e-01 -2.991688540e-01 -3.762809748e-01 4.46 -1.204788820e-01 -2.878487397e-01 -3.647313294e-01 4.48 -1.146134322e-01 -2.766504464e-01 -3.535012821e-01 4.50 -1.089951793e-01 -2.656663984e-01 -3.425831669e-01 4.52 -1.036325210e-01 -2.549877637e-01 -3.319693725e-01 4.54 -9.795034439e-02 -2.446987302e-01 -3.216523438e-01 4.56 -9.171291145e-02 -2.348712800e-01 -3.116245741e-01 4.58 -8.507817901e-02 -2.255608600e-01 -3.018786180e-01 4.60 -7.822561069e-02 -2.168033372e-01 -2.924070973e-01 4.62 -7.134617862e-02 -2.086133048e-01 -2.832027282e-01 4.64 -6.463143482e-02 -2.009644241e-01 -2.742580207e-01 4.66 -5.826330542e-02 -1.935218381e-01 -2.654575189e-01 4.68 -5.240480064e-02 -1.857955994e-01 -2.561751803e-01 4.70 -4.718441392e-02 -1.777865262e-01 -2.464042104e-01 4.72 -4.270885806e-02 -1.695880767e-01 -2.362742228e-01 4.74 -3.905173252e-02 -1.613063815e-01 -2.259317143e-01 4.76 -3.624409878e-02 -1.530545667e-01 -2.155323131e-01 4.78 -3.427483804e-02 -1.449473649e-01 -2.052332023e-01 4.80 -3.290840616e-02 -1.370956105e-01 -1.951859275e-01 4.82 -3.163073381e-02 -1.296010645e-01 -1.855298760e-01 4.84 -3.040670838e-02 -1.225518322e-01 -1.763866823e-01 4.86 -2.922764311e-02 -1.160186248e-01 -1.678557533e-01 4.88 -2.808753280e-02 -1.100520521e-01 -1.600111514e-01 4.90 -2.698262232e-02 -1.046809596e-01 -1.528994375e-01 4.92 -2.591085349e-02 -9.991268253e-02 -1.465390777e-01 4.94 -2.487078566e-02 -9.573348300e-02 -1.409209826e-01 4.96 -2.386106060e-02 -9.206540765e-02 -1.359428579e-01 4.98 -2.288036843e-02 -8.860078942e-02 -1.311597893e-01 5.00 -2.192742884e-02 -8.527771556e-02 -1.264961907e-01 5.02 -2.100097014e-02 -8.208136260e-02 -1.219467242e-01 5.04 -2.009970966e-02 -7.899772715e-02 -1.175060689e-01 5.06 -1.922233899e-02 -7.594874810e-02 -1.130727765e-01 5.08 -1.836751701e-02 -7.254720084e-02 -1.080874206e-01 5.10 -1.753387215e-02 -6.877452002e-02 -1.025306929e-01 5.12 -1.672001361e-02 -6.469603774e-02 -9.650514146e-02 5.14 -1.592454969e-02 -6.039091419e-02 -9.013224971e-02 5.16 -1.514611093e-02 -5.594782307e-02 -8.354617651e-02 5.18 -1.438337592e-02 -5.146008676e-02 -7.688766273e-02 5.20 -1.363509816e-02 -4.701586758e-02 -7.029772433e-02 5.22 -1.290013373e-02 -4.270738635e-02 -6.391148832e-02 5.24 -1.217746996e-02 -3.862192374e-02 -5.785244045e-02 5.26 -1.146625589e-02 -3.483404480e-02 -5.222354642e-02 5.28 -1.076583559e-02 -3.140247594e-02 -4.710571767e-02 5.30 -1.007578488e-02 -2.836825675e-02 -4.256755801e-02 5.32 -9.395951625e-03 -2.575411642e-02 -3.864982421e-02 5.34 -8.726498447e-03 -2.356489265e-02 -3.536469233e-02 5.36 -8.067946228e-03 -2.174302266e-02 -3.262890436e-02 5.38 -7.421214372e-03 -1.999967313e-02 -3.001108974e-02 5.40 -6.787649496e-03 -1.829174209e-02 -2.744674519e-02 5.42 -6.169040021e-03 -1.662398498e-02 -2.494298153e-02 5.44 -5.567614405e-03 -1.500245569e-02 -2.250885733e-02 5.46 -4.986010390e-03 -1.343430652e-02 -2.015507866e-02 5.48 -4.427207947e-03 -1.192760678e-02 -1.789372653e-02 5.50 -3.894421508e-03 -1.049105153e-02 -1.573781982e-02 5.52 -3.390951452e-03 -9.133560558e-03 -1.370071373e-02 5.54 -2.920000907e-03 -7.863784111e-03 -1.179535863e-02 5.56 -2.484470382e-03 -6.689549310e-03 -1.003347010e-02 5.58 -2.086749205e-03 -5.617298483e-03 -8.424687038e-03 5.60 -1.728526478e-03 -4.651580636e-03 -6.975809527e-03 5.62 -1.410644785e-03 -3.794658599e-03 -5.690210243e-03 5.64 -1.133016210e-03 -3.046284382e-03 -4.567498014e-03 5.66 -8.946115668e-04 -2.403671827e-03 -3.603477178e-03 5.68 -6.935238628e-04 -1.861669129e-03 -2.790406500e-03 5.70 -5.270966469e-04 -1.413105847e-03 -2.117519623e-03 5.72 -3.920989348e-04 -1.049264998e-03 -1.571732965e-03 5.74 -2.849245321e-04 -7.604204958e-04 -1.138451504e-03 5.76 -2.017933256e-04 -5.363795634e-04 -8.023819837e-04 5.78 -1.389353165e-04 -3.669784347e-04 -5.482760397e-04 5.80 -9.274421365e-05 -2.424959181e-04 -3.615501726e-04 5.82 -5.989359502e-05 -1.539660766e-04 -2.287544516e-04 5.84 -3.741457037e-05 -9.338719337e-05 -1.378857235e-04 5.86 -2.273819055e-05 -5.383580047e-05 -7.855848143e-05 5.88 -1.370831697e-05 -2.950116903e-05 -4.205648365e-05 5.90 -8.572108543e-06 -1.565954330e-05 -2.129403100e-05 5.92 -5.955008920e-06 -8.606653779e-06 -1.071469367e-05 5.94 -4.826167168e-06 -5.564485853e-06 -6.151441318e-06 5.96 -4.459338314e-06 -4.575892338e-06 -4.668551008e-06 5.98 -4.392171088e-06 -4.394866401e-06 -4.397012101e-06 6.00 -4.390575000e-06 -4.390575000e-06 -4.390575000e-06