# 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 = AgPd3 # 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 6.480754741e+03 nan nan 0.96 5.986231788e+03 nan nan 0.98 5.529202230e+03 nan nan 1.00 5.106922386e+03 nan nan 1.02 4.716231063e+03 nan nan 1.04 4.353132771e+03 6.142639195e+03 nan 1.06 4.015843677e+03 5.716353477e+03 6.332563162e+03 1.08 3.703767478e+03 5.321722688e+03 5.899461005e+03 1.10 3.416450301e+03 4.954329139e+03 5.496675526e+03 1.12 3.149939200e+03 4.611621853e+03 5.123412580e+03 1.14 2.902024333e+03 4.291383940e+03 4.777147219e+03 1.16 2.672372899e+03 3.990071370e+03 4.455559927e+03 1.18 2.457951714e+03 3.706176866e+03 4.156326327e+03 1.20 2.257762158e+03 3.439926698e+03 3.877118030e+03 1.22 2.069857822e+03 3.190595478e+03 3.616508919e+03 1.24 1.892360883e+03 2.956808408e+03 3.372740094e+03 1.26 1.724724384e+03 2.736361641e+03 3.143485417e+03 1.28 1.566868175e+03 2.529464713e+03 2.927132326e+03 1.30 1.417824885e+03 2.336253849e+03 2.722796626e+03 1.32 1.276491556e+03 2.154518352e+03 2.528501763e+03 1.34 1.143168957e+03 1.983296975e+03 2.343636623e+03 1.36 1.018139438e+03 1.821617505e+03 2.167956496e+03 1.38 8.999331411e+02 1.669174963e+03 2.001974924e+03 1.40 7.878320593e+02 1.525955521e+03 1.844592730e+03 1.42 6.816031489e+02 1.391032036e+03 1.695088145e+03 1.44 5.815087458e+02 1.263633856e+03 1.553312163e+03 1.46 4.876548411e+02 1.143813484e+03 1.419457770e+03 1.48 3.987134599e+02 1.030620938e+03 1.293881481e+03 1.50 3.140122039e+02 9.230476034e+02 1.175081186e+03 1.52 2.332286350e+02 8.209290181e+02 1.062094779e+03 1.54 1.564062662e+02 7.245067199e+02 9.550702450e+02 1.56 8.355975560e+01 6.335223722e+02 8.533223351e+02 1.58 4.830190552e+01 5.468451345e+02 7.563524000e+02 1.60 3.936619391e+01 4.637339656e+02 6.641861488e+02 1.62 3.544155516e+01 3.842964218e+02 5.765492025e+02 1.64 3.232827383e+01 3.085605749e+02 4.928088238e+02 1.66 2.944982437e+01 2.360985972e+02 4.129370200e+02 1.68 2.677682872e+01 1.667070471e+02 3.370512750e+02 1.70 2.430643582e+01 1.020185432e+02 2.647999623e+02 1.72 2.202572690e+01 6.474989357e+01 1.953926630e+02 1.74 1.991014627e+01 4.485062023e+01 1.287437209e+02 1.76 1.795123552e+01 3.771413034e+01 6.877871132e+01 1.78 1.613556229e+01 3.405162323e+01 4.597350967e+01 1.80 1.445109878e+01 3.122240201e+01 3.895753547e+01 1.82 1.289030368e+01 2.866216494e+01 3.544995315e+01 1.84 1.144420088e+01 2.627216954e+01 3.262550139e+01 1.86 1.010652115e+01 2.404147478e+01 3.000572757e+01 1.88 8.869297423e+00 2.196361759e+01 2.755484421e+01 1.90 7.721356714e+00 2.001887598e+01 2.527032640e+01 1.92 6.661306007e+00 1.820263894e+01 2.314178164e+01 1.94 5.681308275e+00 1.650473664e+01 2.115492932e+01 1.96 4.770028884e+00 1.491730962e+01 1.930004310e+01 1.98 3.928369253e+00 1.343256003e+01 1.757177034e+01 2.00 3.149587326e+00 1.204337796e+01 1.596506807e+01 2.02 2.429007854e+00 1.074432543e+01 1.446383733e+01 2.04 1.763323482e+00 9.531412743e+00 1.305866206e+01 2.06 1.149836535e+00 8.399576222e+00 1.174463973e+01 2.08 5.863435037e-01 7.340535309e+00 1.051472012e+01 2.10 7.091735177e-02 6.356413672e+00 9.364022253e+00 2.12 -3.983057915e-01 5.439542483e+00 8.288456670e+00 2.14 -8.232799069e-01 4.584504743e+00 7.284422629e+00 2.16 -1.206128441e+00 3.791782623e+00 6.348045856e+00 2.18 -1.549167287e+00 3.056667131e+00 5.473443702e+00 2.20 -1.854893028e+00 2.375926969e+00 4.656605156e+00 2.22 -2.125974662e+00 1.747254671e+00 3.895169779e+00 2.24 -2.365279647e+00 1.168041421e+00 3.184965020e+00 2.26 -2.576105105e+00 6.357248583e-01 2.522657755e+00 2.28 -2.763470079e+00 1.478349052e-01 1.905443885e+00 2.30 -2.926695274e+00 -2.985633568e-01 1.331349889e+00 2.32 -3.067363622e+00 -7.074772042e-01 7.987421576e-01 2.34 -3.187628188e+00 -1.078507304e+00 3.064919791e-01 2.36 -3.289392102e+00 -1.414190517e+00 -1.467151817e-01 2.38 -3.375348951e+00 -1.716700204e+00 -5.641126473e-01 2.40 -3.447974021e+00 -1.988145363e+00 -9.503226788e-01 2.42 -3.504360383e+00 -2.230572431e+00 -1.300395669e+00 2.44 -3.546427875e+00 -2.446149792e+00 -1.617183344e+00 2.46 -3.575144708e+00 -2.636986387e+00 -1.901793257e+00 2.48 -3.591434186e+00 -2.805095532e+00 -2.156184223e+00 2.50 -3.596183198e+00 -2.952367362e+00 -2.382519237e+00 2.52 -3.590246035e+00 -3.080544651e+00 -2.583049262e+00 2.54 -3.574451492e+00 -3.191188452e+00 -2.759974113e+00 2.56 -3.549620173e+00 -3.285665277e+00 -2.915328815e+00 2.58 -3.516598315e+00 -3.365173972e+00 -3.050950962e+00 2.60 -3.476314375e+00 -3.430794838e+00 -3.168510078e+00 2.62 -3.429861977e+00 -3.483563610e+00 -3.269641893e+00 2.64 -3.378509534e+00 -3.524614957e+00 -3.356250645e+00 2.66 -3.323953493e+00 -3.555419306e+00 -3.431060863e+00 2.68 -3.267629941e+00 -3.577472378e+00 -3.496958690e+00 2.70 -3.206760620e+00 -3.588900638e+00 -3.549217526e+00 2.72 -3.142524622e+00 -3.591047784e+00 -3.589829826e+00 2.74 -3.075428095e+00 -3.585047304e+00 -3.619572910e+00 2.76 -3.006050427e+00 -3.572727331e+00 -3.639168745e+00 2.78 -2.935193452e+00 -3.557054278e+00 -3.649310442e+00 2.80 -2.864062684e+00 -3.540077612e+00 -3.650674437e+00 2.82 -2.794450515e+00 -3.514600229e+00 -3.643924613e+00 2.84 -2.728861482e+00 -3.482991181e+00 -3.629709443e+00 2.86 -2.670329492e+00 -3.445799676e+00 -3.608654010e+00 2.88 -2.609687898e+00 -3.403577515e+00 -3.581349085e+00 2.90 -2.548353540e+00 -3.356882820e+00 -3.548340431e+00 2.92 -2.486639318e+00 -3.306276402e+00 -3.510123334e+00 2.94 -2.424789688e+00 -3.252313398e+00 -3.467149955e+00 2.96 -2.363014722e+00 -3.195531286e+00 -3.419858931e+00 2.98 -2.301427186e+00 -3.136436741e+00 -3.368736459e+00 3.00 -2.240143907e+00 -3.075493727e+00 -3.314414661e+00 3.02 -2.179326478e+00 -3.013091721e+00 -3.257804920e+00 3.04 -2.119119113e+00 -2.949565539e+00 -3.200249823e+00 3.06 -2.059654985e+00 -2.885212123e+00 -3.143660119e+00 3.08 -2.001055375e+00 -2.820268645e+00 -3.090578588e+00 3.10 -1.943428165e+00 -2.754923258e+00 -3.039080981e+00 3.12 -1.886866359e+00 -2.689336657e+00 -2.984042882e+00 3.14 -1.831447500e+00 -2.623669655e+00 -2.927443550e+00 3.16 -1.777234493e+00 -2.558057979e+00 -2.869533447e+00 3.18 -1.724277564e+00 -2.492823178e+00 -2.810556546e+00 3.20 -1.672616438e+00 -2.428492041e+00 -2.750749215e+00 3.22 -1.622281715e+00 -2.365827370e+00 -2.690337477e+00 3.24 -1.573295044e+00 -2.305869508e+00 -2.629533304e+00 3.26 -1.525668466e+00 -2.249939037e+00 -2.568531298e+00 3.28 -1.479403753e+00 -2.198646602e+00 -2.507507179e+00 3.30 -1.434492453e+00 -2.146131597e+00 -2.446618843e+00 3.32 -1.390916816e+00 -2.093975380e+00 -2.386009532e+00 3.34 -1.348641604e+00 -2.042257434e+00 -2.325811823e+00 3.36 -1.307596607e+00 -1.991066486e+00 -2.266150923e+00 3.38 -1.267746704e+00 -1.940486381e+00 -2.207146300e+00 3.40 -1.229057056e+00 -1.890594883e+00 -2.148911412e+00 3.42 -1.191489129e+00 -1.841461842e+00 -2.091551884e+00 3.44 -1.155001409e+00 -1.793147131e+00 -2.035162773e+00 3.46 -1.119550063e+00 -1.745699013e+00 -1.979825622e+00 3.48 -1.085089629e+00 -1.699153528e+00 -1.925573569e+00 3.50 -1.051573417e+00 -1.653535145e+00 -1.872392720e+00 3.52 -1.018954083e+00 -1.608858493e+00 -1.820320600e+00 3.54 -9.871847820e-01 -1.565130626e+00 -1.769378235e+00 3.56 -9.562203387e-01 -1.522353244e+00 -1.719571231e+00 3.58 -9.260183425e-01 -1.480524456e+00 -1.670894807e+00 3.60 -8.965401140e-01 -1.439639946e+00 -1.623340553e+00 3.62 -8.677515059e-01 -1.399693612e+00 -1.576904758e+00 3.64 -8.396235002e-01 -1.360676862e+00 -1.531598062e+00 3.66 -8.121325773e-01 -1.322521320e+00 -1.487456078e+00 3.68 -7.852608351e-01 -1.285185604e+00 -1.444550617e+00 3.70 -7.589958500e-01 -1.248664916e+00 -1.403001287e+00 3.72 -7.333302820e-01 -1.212952130e+00 -1.362987485e+00 3.74 -7.082612442e-01 -1.178037969e+00 -1.324761393e+00 3.76 -6.837867258e-01 -1.143911435e+00 -1.288663188e+00 3.78 -6.597941609e-01 -1.110560232e+00 -1.255139847e+00 3.80 -6.362360835e-01 -1.077971175e+00 -1.222250249e+00 3.82 -6.131306654e-01 -1.046130577e+00 -1.189865892e+00 3.84 -5.904948237e-01 -1.015024600e+00 -1.158236412e+00 3.86 -5.683431329e-01 -9.846395630e-01 -1.127361864e+00 3.88 -5.466868240e-01 -9.549622021e-01 -1.097241979e+00 3.90 -5.255330594e-01 -9.259798779e-01 -1.067875933e+00 3.92 -5.048844694e-01 -8.976807183e-01 -1.039261886e+00 3.94 -4.847389595e-01 -8.700537032e-01 -1.011396355e+00 3.96 -4.650899454e-01 -8.430886868e-01 -9.842734824e-01 3.98 -4.459268163e-01 -8.167763609e-01 -9.578843760e-01 4.00 -4.272357356e-01 -7.911081620e-01 -9.322166695e-01 4.02 -4.090006565e-01 -7.660761271e-01 -9.072544147e-01 4.04 -3.912044035e-01 -7.416727048e-01 -8.829783324e-01 4.06 -3.738298557e-01 -7.178905344e-01 -8.593663494e-01 4.08 -3.568609335e-01 -6.947222074e-01 -8.363942944e-01 4.10 -3.402834595e-01 -6.721600104e-01 -8.140366141e-01 4.12 -3.240857086e-01 -6.501956653e-01 -7.922670025e-01 4.14 -3.082586467e-01 -6.288200779e-01 -7.710588856e-01 4.16 -2.927960343e-01 -6.080231191e-01 -7.503857539e-01 4.18 -2.776943746e-01 -5.877934247e-01 -7.302213965e-01 4.20 -2.629533605e-01 -5.681180631e-01 -7.105398142e-01 4.22 -2.485772554e-01 -5.489345807e-01 -6.912435302e-01 4.24 -2.345782381e-01 -5.301822356e-01 -6.722406415e-01 4.26 -2.209833203e-01 -5.118500328e-01 -6.535169779e-01 4.28 -2.078466998e-01 -4.939251999e-01 -6.350585653e-01 4.30 -1.952704244e-01 -4.763934569e-01 -6.168518482e-01 4.32 -1.834370115e-01 -4.592392977e-01 -5.988838903e-01 4.34 -1.726584425e-01 -4.424463181e-01 -5.811425194e-01 4.36 -1.634478573e-01 -4.259977769e-01 -5.636165544e-01 4.38 -1.549809121e-01 -4.098772495e-01 -5.462959315e-01 4.40 -1.461919045e-01 -3.940696143e-01 -5.291718790e-01 4.42 -1.377011064e-01 -3.785621878e-01 -5.122370384e-01 4.44 -1.295094142e-01 -3.633463076e-01 -4.954855660e-01 4.46 -1.216131347e-01 -3.484191954e-01 -4.789132408e-01 4.48 -1.140042188e-01 -3.337863242e-01 -4.625174977e-01 4.50 -1.066710158e-01 -3.194643161e-01 -4.462974908e-01 4.52 -9.959963067e-02 -3.054843581e-01 -4.302540870e-01 4.54 -9.277588835e-02 -2.918963946e-01 -4.143898493e-01 4.56 -8.618762889e-02 -2.787739719e-01 -3.987090166e-01 4.58 -7.982792528e-02 -2.662198845e-01 -3.832173862e-01 4.60 -7.369829199e-02 -2.543726415e-01 -3.679222903e-01 4.62 -6.780565281e-02 -2.434134758e-01 -3.528323882e-01 4.64 -6.218069177e-02 -2.331759770e-01 -3.379576041e-01 4.66 -5.687392115e-02 -2.227111757e-01 -3.233089018e-01 4.68 -5.194685716e-02 -2.124457098e-01 -3.088981068e-01 4.70 -4.746642076e-02 -2.023880700e-01 -2.947377283e-01 4.72 -4.349452207e-02 -1.925459028e-01 -2.808406656e-01 4.74 -4.007060114e-02 -1.829268007e-01 -2.672200103e-01 4.76 -3.718422647e-02 -1.735381307e-01 -2.538887795e-01 4.78 -3.473359914e-02 -1.643868649e-01 -2.408595857e-01 4.80 -3.240926259e-02 -1.554794360e-01 -2.281444126e-01 4.82 -3.016090842e-02 -1.468215742e-01 -2.157542958e-01 4.84 -2.801466127e-02 -1.384181436e-01 -2.036989923e-01 4.86 -2.596755610e-02 -1.302730220e-01 -1.919867389e-01 4.88 -2.401817223e-02 -1.223889678e-01 -1.806239671e-01 4.90 -2.216212369e-02 -1.147674784e-01 -1.696150238e-01 4.92 -2.039460665e-02 -1.074086712e-01 -1.589619859e-01 4.94 -1.871105367e-02 -1.003112022e-01 -1.486645232e-01 4.96 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