# 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 = Pt3Zr # 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 5.628549180e+02 nan nan 1.16 5.245634810e+02 nan nan 1.18 4.889879380e+02 nan nan 1.20 4.558931654e+02 nan nan 1.22 4.250811657e+02 nan nan 1.24 3.963809526e+02 nan nan 1.26 3.696393082e+02 nan nan 1.28 3.447072578e+02 5.002313785e+02 5.616216285e+02 1.30 3.214364456e+02 4.690462624e+02 5.273738714e+02 1.32 2.996917766e+02 4.398495131e+02 4.952899679e+02 1.34 2.793621114e+02 4.124965693e+02 4.651937955e+02 1.36 2.603540111e+02 3.868513980e+02 4.369451129e+02 1.38 2.425782572e+02 3.627857556e+02 4.104316437e+02 1.40 2.259453464e+02 3.401846541e+02 3.855519643e+02 1.42 2.103704042e+02 3.189546787e+02 3.622045334e+02 1.44 1.957767552e+02 2.990223117e+02 3.402864325e+02 1.46 1.820935346e+02 2.803201008e+02 3.196959395e+02 1.48 1.692503549e+02 2.627740968e+02 3.003355850e+02 1.50 1.571755779e+02 2.463029628e+02 2.821137002e+02 1.52 1.458006234e+02 2.308240380e+02 2.649462334e+02 1.54 1.350660095e+02 2.162581141e+02 2.487592412e+02 1.56 1.249250983e+02 2.025311129e+02 2.334887512e+02 1.58 1.153439638e+02 1.895750041e+02 2.190774308e+02 1.60 1.062975663e+02 1.773296797e+02 2.054717059e+02 1.62 9.776421514e+01 1.657446325e+02 1.926218832e+02 1.64 8.972032655e+01 1.547785372e+02 1.804830036e+02 1.66 8.213802853e+01 1.443963643e+02 1.690131359e+02 1.68 7.498618159e+01 1.345664951e+02 1.581703444e+02 1.70 6.823381944e+01 1.252594005e+02 1.479117467e+02 1.72 6.185400075e+01 1.164476824e+02 1.381951099e+02 1.74 5.582549509e+01 1.081053377e+02 1.289812438e+02 1.76 5.016395823e+01 1.002059266e+02 1.202353155e+02 1.78 4.498628602e+01 9.272109973e+01 1.119272126e+02 1.80 4.026928875e+01 8.562114719e+01 1.040314852e+02 1.82 3.597250640e+01 7.887720695e+01 9.652748635e+01 1.84 3.205622843e+01 7.246405131e+01 8.939886209e+01 1.86 2.848300272e+01 6.636178219e+01 8.263205818e+01 1.88 2.521897456e+01 6.055628230e+01 7.621365907e+01 1.90 2.223442431e+01 5.503737411e+01 7.012815661e+01 1.92 1.950352459e+01 4.983389823e+01 6.435750995e+01 1.94 1.700366422e+01 4.504040377e+01 5.888226104e+01 1.96 1.471493573e+01 4.064152649e+01 5.368249837e+01 1.98 1.261979384e+01 3.660649400e+01 4.879754132e+01 2.00 1.070284940e+01 3.290469146e+01 4.428621304e+01 2.02 8.950645706e+00 2.950668580e+01 4.011798616e+01 2.04 7.351374665e+00 2.638520359e+01 3.626463210e+01 2.06 5.894470462e+00 2.351575209e+01 3.270069239e+01 2.08 4.570197537e+00 2.087679691e+01 2.940334374e+01 2.10 3.369257451e+00 1.844951260e+01 2.635248409e+01 2.12 2.282546088e+00 1.621726170e+01 2.353064502e+01 2.14 1.301109714e+00 1.416500901e+01 2.092267229e+01 2.16 4.162545283e-01 1.227882948e+01 1.851517981e+01 2.18 -3.802891777e-01 1.054565189e+01 1.629588407e+01 2.20 -1.096265232e+00 8.953235259e+00 1.425303697e+01 2.22 -1.738831196e+00 7.490248058e+00 1.237493868e+01 2.24 -2.314543162e+00 6.146353734e+00 1.064985632e+01 2.26 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-5.863895694e+00 -5.166581689e+00 -4.473710722e+00 2.64 -5.846223271e+00 -5.317688464e+00 -4.727268990e+00 2.66 -5.820077119e+00 -5.447732369e+00 -4.950802755e+00 2.68 -5.786412625e+00 -5.558604165e+00 -5.146074479e+00 2.70 -5.746044057e+00 -5.651913147e+00 -5.314703594e+00 2.72 -5.699695502e+00 -5.729024717e+00 -5.458240481e+00 2.74 -5.648002925e+00 -5.791690591e+00 -5.578242285e+00 2.76 -5.591525883e+00 -5.841403395e+00 -5.676341412e+00 2.78 -5.530758138e+00 -5.880375986e+00 -5.754293172e+00 2.80 -5.466138041e+00 -5.909526398e+00 -5.814028329e+00 2.82 -5.398045298e+00 -5.928942762e+00 -5.857559181e+00 2.84 -5.326807878e+00 -5.938770196e+00 -5.888870611e+00 2.86 -5.252706270e+00 -5.939211169e+00 -5.911326810e+00 2.88 -5.175982265e+00 -5.930533501e+00 -5.925766541e+00 2.90 -5.096849240e+00 -5.913037662e+00 -5.932939210e+00 2.92 -5.015497771e+00 -5.887078964e+00 -5.933465548e+00 2.94 -4.932118371e+00 -5.853137056e+00 -5.927829246e+00 2.96 -4.846879423e+00 -5.811815120e+00 -5.916387826e+00 2.98 -4.759946742e+00 -5.763819702e+00 -5.899364604e+00 3.00 -4.671478379e+00 -5.709923752e+00 -5.876861305e+00 3.02 -4.581624321e+00 -5.650917508e+00 -5.848977107e+00 3.04 -4.490526935e+00 -5.587554212e+00 -5.815822211e+00 3.06 -4.398322683e+00 -5.520515905e+00 -5.777525784e+00 3.08 -4.305145087e+00 -5.450369654e+00 -5.734239535e+00 3.10 -4.211128489e+00 -5.377569685e+00 -5.686138118e+00 3.12 -4.116411773e+00 -5.302459383e+00 -5.633417319e+00 3.14 -4.021141013e+00 -5.225299874e+00 -5.576290651e+00 3.16 -3.925470102e+00 -5.146276443e+00 -5.514984630e+00 3.18 -3.829558873e+00 -5.065532495e+00 -5.449733058e+00 3.20 -3.733568830e+00 -4.983185503e+00 -5.380770095e+00 3.22 -3.637657331e+00 -4.899342243e+00 -5.308327907e+00 3.24 -3.541971438e+00 -4.814110558e+00 -5.232627614e+00 3.26 -3.446642656e+00 -4.727608171e+00 -5.153881950e+00 3.28 -3.351783406e+00 -4.639968518e+00 -5.072296616e+00 3.30 -3.257485564e+00 -4.551343084e+00 -4.988075859e+00 3.32 -3.163820982e+00 -4.461899799e+00 -4.901430464e+00 3.34 -3.070843678e+00 -4.371817782e+00 -4.812586808e+00 3.36 -2.978593314e+00 -4.281279728e+00 -4.721795293e+00 3.38 -2.887099520e+00 -4.190463912e+00 -4.629336304e+00 3.40 -2.796386719e+00 -4.099536939e+00 -4.535521935e+00 3.42 -2.706474515e+00 -4.008653078e+00 -4.440692208e+00 3.44 -2.617418478e+00 -3.917947966e+00 -4.345205468e+00 3.46 -2.529376267e+00 -3.827542980e+00 -4.249423938e+00 3.48 -2.442541353e+00 -3.737545931e+00 -4.153696676e+00 3.50 -2.357087302e+00 -3.648052757e+00 -4.058339149e+00 3.52 -2.273167966e+00 -3.559148702e+00 -3.963636414e+00 3.54 -2.190915931e+00 -3.470908805e+00 -3.869809922e+00 3.56 -2.110440236e+00 -3.383397775e+00 -3.777034673e+00 3.58 -2.031824431e+00 -3.296669465e+00 -3.685438620e+00 3.60 -1.955125825e+00 -3.210766181e+00 -3.595110430e+00 3.62 -1.880376219e+00 -3.125718048e+00 -3.506108243e+00 3.64 -1.807583900e+00 -3.041542637e+00 -3.418467275e+00 3.66 -1.736736371e+00 -2.958245000e+00 -3.332204871e+00 3.68 -1.667803343e+00 -2.875818250e+00 -3.247322705e+00 3.70 -1.600739821e+00 -2.794248335e+00 -3.163806825e+00 3.72 -1.535489416e+00 -2.713539122e+00 -3.081626887e+00 3.74 -1.471988216e+00 -2.633695640e+00 -3.000736035e+00 3.76 -1.410169474e+00 -2.554736981e+00 -2.921072464e+00 3.78 -1.349969151e+00 -2.476726972e+00 -2.842563005e+00 3.80 -1.291332011e+00 -2.399722816e+00 -2.765128362e+00 3.82 -1.234217702e+00 -2.323771427e+00 -2.688695181e+00 3.84 -1.178606037e+00 -2.248913424e+00 -2.613265816e+00 3.86 -1.124500659e+00 -2.175185715e+00 -2.538884836e+00 3.88 -1.071930296e+00 -2.102622583e+00 -2.465590642e+00 3.90 -1.020947028e+00 -2.031255454e+00 -2.393419711e+00 3.92 -9.716199811e-01 -1.961110369e+00 -2.322407375e+00 3.94 -9.240329903e-01 -1.892212700e+00 -2.252598416e+00 3.96 -8.782654674e-01 -1.824576717e+00 -2.184032022e+00 3.98 -8.343874772e-01 -1.758212510e+00 -2.116751175e+00 4.00 -7.924473955e-01 -1.693125599e+00 -2.050798288e+00 4.02 -7.524633411e-01 -1.629319620e+00 -1.986213484e+00 4.04 -7.144179114e-01 -1.566799973e+00 -1.923032958e+00 4.06 -6.782568456e-01 -1.505577938e+00 -1.861287589e+00 4.08 -6.438915676e-01 -1.445674683e+00 -1.801001875e+00 4.10 -6.112049865e-01 -1.387120767e+00 -1.742193199e+00 4.12 -5.800595681e-01 -1.329974020e+00 -1.684871435e+00 4.14 -5.503065839e-01 -1.274294588e+00 -1.629038820e+00 4.16 -5.217955473e-01 -1.220160925e+00 -1.574690074e+00 4.18 -4.943830582e-01 -1.167661097e+00 -1.521812685e+00 4.20 -4.679405118e-01 -1.116887009e+00 -1.470387341e+00 4.22 -4.423603421e-01 -1.067927363e+00 -1.420388444e+00 4.24 -4.175605197e-01 -1.020860150e+00 -1.371784699e+00 4.26 -3.934872161e-01 -9.757456176e-01 -1.324539738e+00 4.28 -3.701154609e-01 -9.326205781e-01 -1.278612778e+00 4.30 -3.474477585e-01 -8.914947247e-01 -1.233959291e+00 4.32 -3.255107139e-01 -8.523492517e-01 -1.190531677e+00 4.34 -3.043498842e-01 -8.151377358e-01 -1.148279931e+00 4.36 -2.840222961e-01 -7.797889111e-01 -1.107152265e+00 4.38 -2.645932541e-01 -7.462107773e-01 -1.067095677e+00 4.40 -2.461225901e-01 -7.142954165e-01 -1.028056408e+00 4.42 -2.286626221e-01 -6.839239501e-01 -9.899802899e-01 4.44 -2.122516951e-01 -6.549711920e-01 -9.528129209e-01 4.46 -1.969107105e-01 -6.273097175e-01 -9.164997164e-01 4.48 -1.826415834e-01 -6.008132183e-01 -8.809858491e-01 4.50 -1.694275180e-01 -5.753591427e-01 -8.462161735e-01 4.52 -1.572325770e-01 -5.508307022e-01 -8.121317814e-01 4.54 -1.460137053e-01 -5.271183760e-01 -7.786848102e-01 4.56 -1.357096752e-01 -5.041210615e-01 -7.458161186e-01 4.58 -1.262547835e-01 -4.817470120e-01 -7.134725621e-01 4.60 -1.175795493e-01 -4.599146760e-01 -6.816043003e-01 4.62 -1.096136881e-01 -4.385535249e-01 -6.501668908e-01 4.64 -1.022885633e-01 -4.176049058e-01 -6.191237702e-01 4.66 -9.553907565e-02 -3.970229214e-01 -5.884489617e-01 4.68 -8.930501608e-02 -3.767752849e-01 -5.581297988e-01 4.70 -8.353193065e-02 -3.568440598e-01 -5.281694116e-01 4.72 -7.817157358e-02 -3.372261585e-01 -4.985887028e-01 4.74 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-1.170093232e-01 5.10 -2.363812002e-02 -7.780243931e-02 -1.071760825e-01 5.12 -2.238705370e-02 -7.175849257e-02 -9.833873174e-02 5.14 -2.122727039e-02 -6.630583115e-02 -9.041200504e-02 5.16 -2.014976287e-02 -6.139048290e-02 -8.331171759e-02 5.18 -1.914608750e-02 -5.696021379e-02 -7.695660193e-02 5.20 -1.820839806e-02 -5.296541411e-02 -7.126964228e-02 5.22 -1.732945727e-02 -4.935970513e-02 -6.617896257e-02 5.24 -1.650263062e-02 -4.610030537e-02 -6.161833781e-02 5.26 -1.572186736e-02 -4.314814382e-02 -5.752740181e-02 5.28 -1.498167337e-02 -4.046779765e-02 -5.385162556e-02 5.30 -1.427707981e-02 -3.802792636e-02 -5.054212558e-02 5.32 -1.360361116e-02 -3.580067320e-02 -4.755524530e-02 5.34 -1.295725522e-02 -3.376143160e-02 -4.485226614e-02 5.36 -1.233443723e-02 -3.188862698e-02 -4.239934172e-02 5.38 -1.173199951e-02 -3.016346829e-02 -4.016664922e-02 5.40 -1.114718743e-02 -2.856968395e-02 -3.812799523e-02 5.42 -1.057764175e-02 -2.709325231e-02 -3.626043975e-02 5.44 -1.002139694e-02 -2.572213339e-02 -3.454393388e-02 5.46 -9.476884156e-03 -2.444600710e-02 -3.296097998e-02 5.48 -8.942937031e-03 -2.325602096e-02 -3.149631948e-02 5.50 -8.418797550e-03 -2.214455552e-02 -3.013665007e-02 5.52 -7.904116136e-03 -2.110501276e-02 -2.887037261e-02 5.54 -7.398950907e-03 -2.013161676e-02 -2.768574344e-02 5.56 -6.903758236e-03 -1.921924563e-02 -2.657741096e-02 5.58 -6.419359675e-03 -1.836329131e-02 -2.553573882e-02 5.60 -5.946898153e-03 -1.755956658e-02 -2.455395453e-02 5.62 -5.487777408e-03 -1.680468386e-02 -2.362610797e-02 5.64 -5.043585734e-03 -1.609489869e-02 -2.274695709e-02 5.66 -4.616007215e-03 -1.542646881e-02 -2.191186892e-02 5.68 -4.206725620e-03 -1.479596830e-02 -2.111673410e-02 5.70 -3.817691280e-03 -1.420023817e-02 -2.035789294e-02 5.72 -3.451213051e-03 -1.363634997e-02 -1.963207187e-02 5.74 -3.107905102e-03 -1.310157955e-02 -1.893632868e-02 5.76 -2.788082573e-03 -1.259338817e-02 -1.826800549e-02 5.78 -2.491840289e-03 -1.210940883e-02 -1.762468854e-02 5.80 -2.219029186e-03 -1.164743567e-02 -1.700417390e-02 5.82 -1.969249173e-03 -1.120541516e-02 -1.640443842e-02 5.84 -1.741857661e-03 -1.078143813e-02 -1.582361538e-02 5.86 -1.535991653e-03 -1.037373228e-02 -1.525997445e-02 5.88 -1.350600269e-03 -9.980654816e-03 -1.471190547e-02 5.90 -1.184484068e-03 -9.600685623e-03 -1.417790591e-02 5.92 -1.036337415e-03 -9.232420909e-03 -1.365657183e-02 5.94 -9.047905842e-04 -8.874567811e-03 -1.314659209e-02 5.96 -7.884488914e-04 -8.525940182e-03 -1.264674589e-02 5.98 -6.859269872e-04 -8.185455868e-03 -1.215590340e-02 6.00 -5.958772315e-04 -7.852135679e-03 -1.167302954e-02