# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AgNi3 # 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 2024-04-11 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 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 1.635698252e+02 nan nan 1.16 1.491942040e+02 nan nan 1.18 1.360664415e+02 nan nan 1.20 1.240736494e+02 nan nan 1.22 1.131131865e+02 nan nan 1.24 1.030898931e+02 nan nan 1.26 9.391731766e+01 nan nan 1.28 8.551940247e+01 1.393279294e+02 1.620903842e+02 1.30 7.782928909e+01 1.279863503e+02 1.492706218e+02 1.32 7.078655860e+01 1.175440426e+02 1.374445165e+02 1.34 6.433555459e+01 1.079213206e+02 1.265330306e+02 1.36 5.842529297e+01 9.904828753e+01 1.164646760e+02 1.38 5.300981363e+01 9.086495076e+01 1.071732509e+02 1.40 4.804793288e+01 8.331883309e+01 9.859676140e+01 1.42 4.350230515e+01 7.636236750e+01 9.067738296e+01 1.44 3.933827328e+01 6.995115286e+01 8.336182473e+01 1.46 3.552306440e+01 6.404295607e+01 7.660152675e+01 1.48 3.202622545e+01 5.859737865e+01 7.035226596e+01 1.50 2.882105080e+01 5.357618439e+01 6.457339981e+01 1.52 2.588248021e+01 4.894403396e+01 5.922754767e+01 1.54 2.318862392e+01 4.466906597e+01 5.428091221e+01 1.56 2.072031657e+01 4.072279835e+01 4.970350240e+01 1.58 1.846017409e+01 3.707943584e+01 4.546868055e+01 1.60 1.639180487e+01 3.371524022e+01 4.155228700e+01 1.62 1.449945368e+01 3.060929581e+01 3.793185179e+01 1.64 1.276803901e+01 2.774283075e+01 3.458605259e+01 1.66 1.118340801e+01 2.509805375e+01 3.149483470e+01 1.68 9.732658542e+00 2.265881929e+01 2.863947038e+01 1.70 8.404372331e+00 2.041012416e+01 2.600063494e+01 1.72 7.188618667e+00 1.833770347e+01 2.356017391e+01 1.74 6.076726322e+00 1.642782515e+01 2.130185012e+01 1.76 5.060960646e+00 1.466732168e+01 1.921166818e+01 1.78 4.134249138e+00 1.304383487e+01 1.727762458e+01 1.80 3.290011514e+00 1.154614608e+01 1.548910305e+01 1.82 2.522073820e+00 1.016441151e+01 1.383629364e+01 1.84 1.824624297e+00 8.890168451e+00 1.230985826e+01 1.86 1.192183881e+00 7.716092924e+00 1.090085107e+01 1.88 6.195831898e-01 6.635613628e+00 9.600784636e+00 1.90 1.019441327e-01 5.642541836e+00 8.401721273e+00 1.92 -3.653355773e-01 4.730834493e+00 7.296317256e+00 1.94 -7.865929352e-01 3.894524813e+00 6.277799347e+00 1.96 -1.165900001e+00 3.127789271e+00 5.339883146e+00 1.98 -1.507051615e+00 2.425084511e+00 4.476667112e+00 2.00 -1.813541836e+00 1.781279783e+00 3.682558195e+00 2.02 -2.088533579e+00 1.191732291e+00 2.952277217e+00 2.04 -2.334832043e+00 6.522928111e-01 2.280939749e+00 2.06 -2.554878770e+00 1.592612137e-01 1.664147669e+00 2.08 -2.750779706e+00 -2.906788793e-01 1.098016120e+00 2.10 -2.924365563e+00 -7.005245728e-01 5.791114249e-01 2.12 -3.077267753e+00 -1.073008145e+00 1.043348152e-01 2.14 -3.210989724e+00 -1.410642165e+00 -3.291957487e-01 2.16 -3.326960316e+00 -1.715760094e+00 -7.242350771e-01 2.18 -3.426564513e+00 -1.990555981e+00 -1.083467806e+00 2.20 -3.511151986e+00 -2.237122757e+00 -1.409539338e+00 2.22 -3.582019493e+00 -2.457484835e+00 -1.705062042e+00 2.24 -3.640402131e+00 -2.653619909e+00 -1.972591747e+00 2.26 -3.687447931e+00 -2.827468389e+00 -2.214573274e+00 2.28 -3.724197873e+00 -2.980934520e+00 -2.433268275e+00 2.30 -3.751584038e+00 -3.115884961e+00 -2.630691883e+00 2.32 -3.770422172e+00 -3.234144124e+00 -2.808583111e+00 2.34 -3.781048059e+00 -3.337476206e+00 -2.968416694e+00 2.36 -3.783574205e+00 -3.427543839e+00 -3.111444893e+00 2.38 -3.778311826e+00 -3.505848843e+00 -3.238749719e+00 2.40 -3.765762339e+00 -3.573672847e+00 -3.351290326e+00 2.42 -3.746570488e+00 -3.632049436e+00 -3.449939704e+00 2.44 -3.721456438e+00 -3.681788816e+00 -3.535512278e+00 2.46 -3.691153232e+00 -3.723524087e+00 -3.608788527e+00 2.48 -3.656460118e+00 -3.757769841e+00 -3.670530229e+00 2.50 -3.617853601e+00 -3.784974777e+00 -3.721513731e+00 2.52 -3.575668989e+00 -3.805556630e+00 -3.762555646e+00 2.54 -3.530199380e+00 -3.819733222e+00 -3.794530458e+00 2.56 -3.481702756e+00 -3.827418348e+00 -3.818375326e+00 2.58 -3.430410378e+00 -3.828603499e+00 -3.835074335e+00 2.60 -3.376535857e+00 -3.823384711e+00 -3.845595478e+00 2.62 -3.320291194e+00 -3.811943136e+00 -3.850539134e+00 2.64 -3.261888550e+00 -3.794530254e+00 -3.850255969e+00 2.66 -3.201538437e+00 -3.771457881e+00 -3.845074257e+00 2.68 -3.139454364e+00 -3.743108733e+00 -3.835269666e+00 2.70 -3.075855733e+00 -3.709998606e+00 -3.821054879e+00 2.72 -3.010968983e+00 -3.672516495e+00 -3.802590223e+00 2.74 -2.945027029e+00 -3.631078804e+00 -3.780005820e+00 2.76 -2.878266872e+00 -3.586149944e+00 -3.753513320e+00 2.78 -2.810925367e+00 -3.538211322e+00 -3.723221833e+00 2.80 -2.743233592e+00 -3.487726640e+00 -3.689185223e+00 2.82 -2.675410818e+00 -3.435111586e+00 -3.651515343e+00 2.84 -2.607659421e+00 -3.380715423e+00 -3.610377125e+00 2.86 -2.540161773e+00 -3.324822010e+00 -3.565981125e+00 2.88 -2.473079433e+00 -3.267654231e+00 -3.518573574e+00 2.90 -2.406554110e+00 -3.209383241e+00 -3.468424166e+00 2.92 -2.340709458e+00 -3.150145158e+00 -3.415814375e+00 2.94 -2.275652913e+00 -3.090056148e+00 -3.361027968e+00 2.96 -2.211477142e+00 -3.029224101e+00 -3.304332881e+00 2.98 -2.148261171e+00 -2.967756702e+00 -3.245972550e+00 3.00 -2.086071340e+00 -2.905766383e+00 -3.186163655e+00 3.02 -2.024962220e+00 -2.843372793e+00 -3.125098638e+00 3.04 -1.964977532e+00 -2.780703218e+00 -3.062951943e+00 3.06 -1.906151009e+00 -2.717891260e+00 -2.999888527e+00 3.08 -1.848507208e+00 -2.655074033e+00 -2.936073010e+00 3.10 -1.792062273e+00 -2.592388344e+00 -2.871677904e+00 3.12 -1.736824723e+00 -2.529966481e+00 -2.806889430e+00 3.14 -1.682796302e+00 -2.467932366e+00 -2.741909616e+00 3.16 -1.629972894e+00 -2.406398676e+00 -2.676953784e+00 3.18 -1.578345455e+00 -2.345465266e+00 -2.612243416e+00 3.20 -1.527900865e+00 -2.285218839e+00 -2.547995472e+00 3.22 -1.478622599e+00 -2.225733568e+00 -2.484410302e+00 3.24 -1.430491119e+00 -2.167072243e+00 -2.421660766e+00 3.26 -1.383483958e+00 -2.109287593e+00 -2.359884806e+00 3.28 -1.337575520e+00 -2.052423499e+00 -2.299182641e+00 3.30 -1.292736671e+00 -1.996515981e+00 -2.239618419e+00 3.32 -1.248934265e+00 -1.941593915e+00 -2.181225169e+00 3.34 -1.206130727e+00 -1.887679499e+00 -2.124011449e+00 3.36 -1.164283850e+00 -1.834788515e+00 -2.067968225e+00 3.38 -1.123346922e+00 -1.782930460e+00 -2.013075018e+00 3.40 -1.083269277e+00 -1.732108601e+00 -1.959304827e+00 3.42 -1.043997377e+00 -1.682320032e+00 -1.906627797e+00 3.44 -1.005476463e+00 -1.633555796e+00 -1.855013817e+00 3.46 -9.676528542e-01 -1.585801136e+00 -1.804434293e+00 3.48 -9.304769099e-01 -1.539035917e+00 -1.754863339e+00 3.50 -8.939066129e-01 -1.493235234e+00 -1.706278526e+00 3.52 -8.579116444e-01 -1.448370199e+00 -1.658661269e+00 3.54 -8.224776486e-01 -1.404408867e+00 -1.611996872e+00 3.56 -7.876102004e-01 -1.361317232e+00 -1.566274268e+00 3.58 -7.533377914e-01 -1.319060238e+00 -1.521485493e+00 3.60 -7.197130256e-01 -1.277602730e+00 -1.477624985e+00 3.62 -6.868112539e-01 -1.236910348e+00 -1.434688796e+00 3.64 -6.547261476e-01 -1.196950361e+00 -1.392673831e+00 3.66 -6.235622332e-01 -1.157692524e+00 -1.351577167e+00 3.68 -5.934250914e-01 -1.119110033e+00 -1.311395496e+00 3.70 -5.644105658e-01 -1.081180689e+00 -1.272124689e+00 3.72 -5.365947079e-01 -1.043888322e+00 -1.233759477e+00 3.74 -5.100261279e-01 -1.007224458e+00 -1.196293214e+00 3.76 -4.847219254e-01 -9.711901262e-01 -1.159717734e+00 3.78 -4.606676064e-01 -9.357975367e-01 -1.124023270e+00 3.80 -4.378206066e-01 -9.010713076e-01 -1.089198432e+00 3.82 -4.161164668e-01 -8.670487981e-01 -1.055230245e+00 3.84 -3.954764599e-01 -8.337791650e-01 -1.022104198e+00 3.86 -3.758155146e-01 -8.013208817e-01 -9.898043228e-01 3.88 -3.570495184e-01 -7.697377137e-01 -9.583132535e-01 3.90 -3.391013739e-01 -7.390934667e-01 -9.276122593e-01 3.92 -3.219054463e-01 -7.094461285e-01 -8.976812405e-01 3.94 -3.054102341e-01 -6.808422201e-01 -8.684986832e-01 3.96 -2.895792321e-01 -6.533121730e-01 -8.400415660e-01 3.98 -2.743900783e-01 -6.268673652e-01 -8.122852413e-01 4.00 -2.598321929e-01 -6.014991060e-01 -7.852032920e-01 4.02 -2.459032601e-01 -5.771794974e-01 -7.587673874e-01 4.04 -2.326050361e-01 -5.538637978e-01 -7.329471509e-01 4.06 -2.199390513e-01 -5.314937501e-01 -7.077100616e-01 4.08 -2.079027784e-01 -5.100013180e-01 -6.830214072e-01 4.10 -1.964867370e-01 -4.893123655e-01 -6.588443108e-01 4.12 -1.856728180e-01 -4.693499739e-01 -6.351398541e-01 4.14 -1.754338922e-01 -4.500372252e-01 -6.118673262e-01 4.16 -1.657345613e-01 -4.312994495e-01 -5.889846275e-01 4.18 -1.565327712e-01 -4.130659810e-01 -5.664488644e-01 4.20 -1.477819545e-01 -3.952715386e-01 -5.442171726e-01 4.22 -1.394333860e-01 -3.778573482e-01 -5.222478031e-01 4.24 -1.314385027e-01 -3.607721113e-01 -5.005015005e-01 4.26 -1.237510328e-01 -3.439728988e-01 -4.789431859e-01 4.28 -1.163286283e-01 -3.274260162e-01 -4.575439307e-01 4.30 -1.091346991e-01 -3.111078448e-01 -4.362831665e-01 4.32 -1.021399935e-01 -2.950056318e-01 -4.151510254e-01 4.34 -9.532282745e-02 -2.791181593e-01 -3.941506390e-01 4.36 -8.866974377e-02 -2.634561884e-01 -3.733001610e-01 4.38 -8.217577938e-02 -2.480425441e-01 -3.526342228e-01 4.40 -7.584429083e-02 -2.329116878e-01 -3.322045028e-01 4.42 -6.968632211e-02 -2.181086347e-01 -3.120791138e-01 4.44 -6.371949422e-02 -2.036871082e-01 -2.923405941e-01 4.46 -5.796644679e-02 -1.897069104e-01 -2.730824392e-01 4.48 -5.245291137e-02 -1.762305953e-01 -2.544043124e-01 4.50 -4.720555504e-02 -1.633196632e-01 -2.364062934e-01 4.52 -4.224977989e-02 -1.510306085e-01 -2.191827129e-01 4.54 -3.760768842e-02 -1.394112171e-01 -2.028162387e-01 4.56 -3.329640065e-02 -1.284975110e-01 -1.873728490e-01 4.58 -2.932688151e-02 -1.183116538e-01 -1.728982469e-01 4.60 -2.570335193e-02 -1.088609988e-01 -1.594160092e-01 4.62 -2.242327816e-02 -1.001382935e-01 -1.469275301e-01 4.64 -1.947775789e-02 -9.212290754e-02 -1.354135720e-01 4.66 -1.685204259e-02 -8.478283432e-02 -1.248370605e-01 4.68 -1.452808663e-02 -7.807717002e-02 -1.151466701e-01 4.70 -1.248474238e-02 -7.195877743e-02 -1.062807514e-01 4.72 -1.069880092e-02 -6.637687145e-02 -9.817120384e-02 4.74 -9.146122362e-03 -6.127904119e-02 -9.074701605e-02 4.76 -7.802576119e-03 -5.661378390e-02 -8.393729227e-02 4.78 -6.644771785e-03 -5.233235242e-02 -7.767356996e-02 4.80 -5.650586164e-03 -4.838925533e-02 -7.189167726e-02 4.82 -4.799508083e-03 -4.474308573e-02 -6.653360311e-02 4.84 -4.072830811e-03 -4.135707859e-02 -6.154770279e-02 4.86 -3.453724360e-03 -3.819938136e-02 -5.688914164e-02 4.88 -2.927218468e-03 -3.524308824e-02 -5.252003117e-02 4.90 -2.480123234e-03 -3.246609120e-02 -4.840927890e-02 4.92 -2.100909675e-03 -2.985078513e-02 -4.453220908e-02 4.94 -1.779567672e-03 -2.738365669e-02 -4.086999967e-02 4.96 -1.507454338e-03 -2.505478012e-02 -3.740897331e-02 4.98 -1.277142022e-03 -2.285724496e-02 -3.413977594e-02 5.00 -1.082272190e-03 -2.078653985e-02 -3.105648562e-02 5.02 -9.174190277e-04 -1.883991921e-02 -2.815569012e-02 5.04 -7.779648711e-04 -1.701578326e-02 -2.543557977e-02 5.06 -6.599883253e-04 -1.531310216e-02 -2.289510288e-02 5.08 -5.601650912e-04 -1.373086540e-02 -2.053320919e-02 5.10 -4.756809716e-04 -1.226751644e-02 -1.834789297e-02 5.12 -4.041561859e-04 -1.092122594e-02 -1.633659431e-02 5.14 -3.435799738e-04 -9.689360747e-03 -1.449563432e-02 5.16 -2.922543994e-04 -8.568340959e-03 -1.281986377e-02 5.18 -2.487462763e-04 -7.553667713e-03 -1.130271470e-02 5.20 -2.118461857e-04 -6.640025259e-03 -9.936361375e-03 5.22 -1.805336503e-04 -5.821434070e-03 -8.711956267e-03 5.24 -1.539476076e-04 -5.091432089e-03 -7.619906896e-03 5.26 -1.313614240e-04 -4.443263933e-03 -6.650163641e-03 5.28 -1.121617836e-04 -3.870062049e-03 -5.792494642e-03 5.30 -9.583087416e-05 -3.365008502e-03 -5.036731023e-03 5.32 -8.193136683e-05 -2.921470648e-03 -4.372972428e-03 5.34 -7.009376098e-05 -2.533107828e-03 -3.791748704e-03 5.36 -6.000572700e-05 -2.193949270e-03 -3.284138081e-03 5.38 -5.140313448e-05 -1.898445453e-03 -2.841845288e-03 5.40 -4.406249963e-05 -1.641496425e-03 -2.457244920e-03 5.42 -3.779462836e-05 -1.418461159e-03 -2.123396193e-03 5.44 -3.243926537e-05 -1.225152037e-03 -1.834035277e-03 5.46 -2.786058903e-05 -1.057818316e-03 -1.583550983e-03 5.48 -2.394341737e-05 -9.131219209e-04 -1.366948881e-03 5.50 -2.059001232e-05 -7.881083861e-04 -1.179808049e-03 5.52 -1.771738670e-05 -6.801751843e-04 -1.018233869e-03 5.54 -1.525503386e-05 -5.870391722e-04 -8.788091305e-04 5.56 -1.314301286e-05 -5.067044213e-04 -7.585472356e-04 5.58 -1.133033282e-05 -4.374313219e-04 -6.548440920e-04 5.60 -9.773588831e-06 -3.777075407e-04 -5.654360377e-04 5.62 -8.435809716e-06 -3.262211755e-04 -4.883593487e-04 5.64 -7.285484209e-06 -2.818362678e-04 -4.219136139e-04 5.66 -6.295737469e-06 -2.435707063e-04 -3.646286799e-04 5.68 -5.443634225e-06 -2.105764627e-04 -3.152350813e-04 5.70 -4.709588796e-06 -1.821220429e-04 -2.726377816e-04 5.72 -4.076865294e-06 -1.575769978e-04 -2.358929946e-04 5.74 -3.531153929e-06 -1.363983220e-04 -2.041878287e-04 5.76 -3.060211603e-06 -1.181185602e-04 -1.768224863e-04 5.78 -2.653556884e-06 -1.023354431e-04 -1.531947517e-04 5.80 -2.302210952e-06 -8.870288398e-05 -1.327865142e-04 5.82 -1.998477428e-06 -7.692317558e-05 -1.151520880e-04 5.84 -1.735755159e-06 -6.674024153e-05 -9.990811034e-05 5.86 -1.508378926e-06 -5.793381006e-05 -8.672481961e-05 5.88 -1.311483807e-06 -5.031439065e-05 -7.531853568e-05 5.90 -1.140889617e-06 -4.371894818e-05 -6.544518392e-05 5.92 -9.930024022e-07 -3.800718109e-05 -5.689472360e-05 5.94 -8.647304045e-07 -3.305832161e-05 -4.948635757e-05 5.96 -7.534123352e-07 -2.876838638e-05 -4.306441634e-05 5.98 -6.567561122e-07 -2.504781509e-05 -3.749482293e-05 6.00 -5.727865080e-07 -2.181944300e-05 -3.266205755e-05