# 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 = AlMg3 # 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 3.000495547e+02 nan nan 1.16 2.762542337e+02 nan nan 1.18 2.544270940e+02 nan nan 1.20 2.343909643e+02 nan nan 1.22 2.159859347e+02 nan nan 1.24 1.990675954e+02 nan nan 1.26 1.835062840e+02 nan nan 1.28 1.691851411e+02 2.602829354e+02 2.984756262e+02 1.30 1.559980599e+02 2.413202121e+02 2.771943821e+02 1.32 1.438490073e+02 2.237828142e+02 2.574925617e+02 1.34 1.326515544e+02 2.075546776e+02 2.392438802e+02 1.36 1.223273824e+02 1.925309797e+02 2.223331522e+02 1.38 1.128045863e+02 1.786179511e+02 2.066538115e+02 1.40 1.040171647e+02 1.657309287e+02 1.921066233e+02 1.42 9.590535172e+01 1.537915776e+02 1.786004687e+02 1.44 8.841502412e+01 1.427257059e+02 1.660535614e+02 1.46 8.149816493e+01 1.324626740e+02 1.543931451e+02 1.48 7.511103915e+01 1.229365044e+02 1.435537165e+02 1.50 6.921087369e+01 1.140875986e+02 1.334751541e+02 1.52 6.375782088e+01 1.058635183e+02 1.241016521e+02 1.54 5.871561032e+01 9.821825835e+01 1.153814780e+02 1.56 5.405183791e+01 9.111066156e+01 1.072670833e+02 1.58 4.973758158e+01 8.450294014e+01 9.971499569e+01 1.60 4.574664196e+01 7.836206296e+01 9.268531070e+01 1.62 4.205486655e+01 7.265558662e+01 8.614069360e+01 1.64 3.863980115e+01 6.735235949e+01 8.004792763e+01 1.66 3.548062880e+01 6.242276011e+01 7.437466626e+01 1.68 3.255821412e+01 5.783883446e+01 6.909008860e+01 1.70 2.985508898e+01 5.357465961e+01 6.416576151e+01 1.72 2.735530656e+01 4.960664302e+01 5.957590532e+01 1.74 2.504422078e+01 4.591352712e+01 5.529733477e+01 1.76 2.290826372e+01 4.247610680e+01 5.130910809e+01 1.78 2.093475550e+01 3.927686525e+01 4.759207222e+01 1.80 1.911173172e+01 3.629967846e+01 4.412847265e+01 1.82 1.742777924e+01 3.352962425e+01 4.090162279e+01 1.84 1.587193113e+01 3.095283395e+01 3.789562845e+01 1.86 1.443369664e+01 2.855637286e+01 3.509517303e+01 1.88 1.310325086e+01 2.632810597e+01 3.248545363e+01 1.90 1.187169297e+01 2.425655453e+01 3.005231903e+01 1.92 1.073121497e+01 2.233075744e+01 2.778255592e+01 1.94 9.675079753e+00 2.054019243e+01 2.566418765e+01 1.96 8.697434466e+00 1.887479661e+01 2.368659221e+01 1.98 7.793071520e+00 1.732508946e+01 2.184039057e+01 2.00 6.957227688e+00 1.588233133e+01 2.011718895e+01 2.02 6.185450386e+00 1.453863570e+01 1.850930976e+01 2.04 5.473530969e+00 1.328698691e+01 1.700960306e+01 2.06 4.817472101e+00 1.212115633e+01 1.561134453e+01 2.08 4.213473670e+00 1.103555032e+01 1.430819550e+01 2.10 3.657917341e+00 1.002504739e+01 1.309418056e+01 2.12 3.147340348e+00 9.084869676e+00 1.196367091e+01 2.14 2.678403204e+00 8.210505892e+00 1.091136079e+01 2.16 2.247865989e+00 7.397680757e+00 9.932232833e+00 2.18 1.852600457e+00 6.642347036e+00 9.021514148e+00 2.20 1.489635063e+00 5.940688919e+00 8.174628774e+00 2.22 1.156225521e+00 5.289122441e+00 7.387180199e+00 2.24 8.499140316e-01 4.684297871e+00 6.654959893e+00 2.26 5.685512043e-01 4.123102302e+00 5.973997066e+00 2.28 3.102722047e-01 3.602658286e+00 5.340617141e+00 2.30 7.344463049e-02 3.120322847e+00 4.751485411e+00 2.32 -1.433916329e-01 2.673670047e+00 4.203605010e+00 2.34 -3.421304564e-01 2.260475888e+00 3.694278657e+00 2.36 -5.243531857e-01 1.878690211e+00 3.221049696e+00 2.38 -6.908337815e-01 1.526410239e+00 2.781642758e+00 2.40 -8.423566355e-01 1.201852734e+00 2.373924080e+00 2.42 -9.797111096e-01 9.033259260e-01 1.995875897e+00 2.44 -1.103687336e+00 6.292066506e-01 1.645586133e+00 2.46 -1.215073617e+00 3.779206799e-01 1.321242697e+00 2.48 -1.314657160e+00 1.479319770e-01 1.021128851e+00 2.50 -1.403234064e+00 -6.226065153e-02 7.436176955e-01 2.52 -1.481584068e+00 -2.541213461e-01 4.871748155e-01 2.54 -1.550450550e+00 -4.292925031e-01 2.503607784e-01 2.56 -1.610531688e+00 -5.897258092e-01 3.183844613e-02 2.58 -1.662469681e+00 -7.364895706e-01 -1.696217653e-01 2.60 -1.706850819e+00 -8.705873098e-01 -3.553219292e-01 2.62 -1.744207891e+00 -9.930010849e-01 -5.268933513e-01 2.64 -1.775029708e+00 -1.104663273e+00 -6.850078857e-01 2.66 -1.799771643e+00 -1.206424488e+00 -8.302257245e-01 2.68 -1.818869044e+00 -1.299035329e+00 -9.630973193e-01 2.70 -1.832748761e+00 -1.383140685e+00 -1.084161982e+00 2.72 -1.841838164e+00 -1.459297796e+00 -1.193950816e+00 2.74 -1.846569964e+00 -1.527987972e+00 -1.292993136e+00 2.76 -1.847381959e+00 -1.589628453e+00 -1.381826127e+00 2.78 -1.844711771e+00 -1.644591077e+00 -1.461013268e+00 2.80 -1.838989316e+00 -1.693218131e+00 -1.531153642e+00 2.82 -1.830626655e+00 -1.735829372e+00 -1.592877736e+00 2.84 -1.820011790e+00 -1.772729359e+00 -1.646848205e+00 2.86 -1.807503817e+00 -1.804210161e+00 -1.693751730e+00 2.88 -1.793431869e+00 -1.830553472e+00 -1.734281955e+00 2.90 -1.778110871e+00 -1.852032720e+00 -1.769115659e+00 2.92 -1.761836581e+00 -1.868915903e+00 -1.798886787e+00 2.94 -1.744781298e+00 -1.881469597e+00 -1.824163973e+00 2.96 -1.727083215e+00 -1.889964110e+00 -1.845435390e+00 2.98 -1.708851624e+00 -1.894679273e+00 -1.863108657e+00 3.00 -1.690167653e+00 -1.895909744e+00 -1.877510765e+00 3.02 -1.671088657e+00 -1.893968264e+00 -1.888905008e+00 3.04 -1.651654479e+00 -1.889184782e+00 -1.897505361e+00 3.06 -1.631893852e+00 -1.881903051e+00 -1.903491647e+00 3.08 -1.611810118e+00 -1.872467650e+00 -1.907022217e+00 3.10 -1.591350599e+00 -1.861212926e+00 -1.908243227e+00 3.12 -1.570470279e+00 -1.848448232e+00 -1.907294527e+00 3.14 -1.549143158e+00 -1.834448564e+00 -1.904312632e+00 3.16 -1.527359738e+00 -1.819457681e+00 -1.899431476e+00 3.18 -1.505124230e+00 -1.803695494e+00 -1.892781667e+00 3.20 -1.482451661e+00 -1.787281378e+00 -1.884488813e+00 3.22 -1.459365197e+00 -1.770295521e+00 -1.874672436e+00 3.24 -1.435893917e+00 -1.752799465e+00 -1.863457387e+00 3.26 -1.412071206e+00 -1.734843004e+00 -1.850979066e+00 3.28 -1.387933772e+00 -1.716469788e+00 -1.837299055e+00 3.30 -1.363521170e+00 -1.697721006e+00 -1.822473063e+00 3.32 -1.338875610e+00 -1.678637075e+00 -1.806556410e+00 3.34 -1.314041571e+00 -1.659257503e+00 -1.789604427e+00 3.36 -1.289066224e+00 -1.639604176e+00 -1.771673298e+00 3.38 -1.263997263e+00 -1.619652731e+00 -1.752821288e+00 3.40 -1.238882639e+00 -1.599379568e+00 -1.733110263e+00 3.42 -1.213768542e+00 -1.578770566e+00 -1.712607394e+00 3.44 -1.188699298e+00 -1.557819081e+00 -1.691378404e+00 3.46 -1.163714237e+00 -1.536525689e+00 -1.669456572e+00 3.48 -1.138848657e+00 -1.514897463e+00 -1.646878452e+00 3.50 -1.114133190e+00 -1.492947356e+00 -1.623699303e+00 3.52 -1.089595248e+00 -1.470693485e+00 -1.599992387e+00 3.54 -1.065257975e+00 -1.448158275e+00 -1.575840862e+00 3.56 -1.041142031e+00 -1.425367538e+00 -1.551335932e+00 3.58 -1.017265808e+00 -1.402349533e+00 -1.526571042e+00 3.60 -9.936458479e-01 -1.379134077e+00 -1.501637146e+00 3.62 -9.702971542e-01 -1.355751743e+00 -1.476618751e+00 3.64 -9.472334149e-01 -1.332233188e+00 -1.451591004e+00 3.66 -9.244671460e-01 -1.308608609e+00 -1.426617856e+00 3.68 -9.020097599e-01 -1.284907349e+00 -1.401751216e+00 3.70 -8.798715704e-01 -1.261157650e+00 -1.377030927e+00 3.72 -8.580617464e-01 -1.237386527e+00 -1.352485413e+00 3.74 -8.365882360e-01 -1.213619781e+00 -1.328132879e+00 3.76 -8.154576813e-01 -1.189882092e+00 -1.303982948e+00 3.78 -7.946753396e-01 -1.166197172e+00 -1.280038555e+00 3.80 -7.742450227e-01 -1.142587916e+00 -1.256297930e+00 3.82 -7.541690572e-01 -1.119076483e+00 -1.232756474e+00 3.84 -7.344482621e-01 -1.095684243e+00 -1.209408389e+00 3.86 -7.150819397e-01 -1.072431548e+00 -1.186247967e+00 3.88 -6.960678672e-01 -1.049337313e+00 -1.163270536e+00 3.90 -6.774022826e-01 -1.026418444e+00 -1.140473066e+00 3.92 -6.590796246e-01 -1.003688960e+00 -1.117854162e+00 3.94 -6.410934535e-01 -9.811605562e-01 -1.095415625e+00 3.96 -6.234348469e-01 -9.588404496e-01 -1.073160107e+00 3.98 -6.060933989e-01 -9.367325159e-01 -1.051092557e+00 4.00 -5.890568331e-01 -9.148371095e-01 -1.029219536e+00 4.02 -5.723109060e-01 -8.931514729e-01 -1.007548907e+00 4.04 -5.558393233e-01 -8.716703439e-01 -9.860894945e-01 4.06 -5.396236859e-01 -8.503866996e-01 -9.648507371e-01 4.08 -5.236434838e-01 -8.292925867e-01 -9.438423461e-01 4.10 -5.078761574e-01 -8.083791752e-01 -9.230739896e-01 4.12 -4.922972505e-01 -7.876411884e-01 -9.025550084e-01 4.14 -4.768806798e-01 -7.670723408e-01 -8.822941754e-01 4.16 -4.615991468e-01 -7.466702251e-01 -8.622994991e-01 4.18 -4.464247212e-01 -7.264362468e-01 -8.425780750e-01 4.20 -4.313290037e-01 -7.063765261e-01 -8.231359826e-01 4.22 -4.162866967e-01 -6.865026414e-01 -8.039782246e-01 4.24 -4.012727471e-01 -6.668321030e-01 -7.851087047e-01 4.26 -3.862666427e-01 -6.473884431e-01 -7.665302399e-01 4.28 -3.712532502e-01 -6.282008190e-01 -7.482445991e-01 4.30 -3.562245231e-01 -6.093030711e-01 -7.302525646e-01 4.32 -3.411812075e-01 -5.907322423e-01 -7.125540057e-01 4.34 -3.261343913e-01 -5.725266490e-01 -6.951479559e-01 4.36 -3.111065579e-01 -5.547236704e-01 -6.780326808e-01 4.38 -2.961328821e-01 -5.373574831e-01 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-2.256744006e-02 -3.308248589e-02 5.82 -6.530407284e-03 -2.166343036e-02 -3.183622719e-02 5.84 -6.204098879e-03 -2.079547294e-02 -3.062912064e-02 5.86 -5.895805929e-03 -1.996032450e-02 -2.945814539e-02 5.88 -5.604357424e-03 -1.915498122e-02 -2.832046316e-02 5.90 -5.328532881e-03 -1.837666747e-02 -2.721340399e-02 5.92 -5.067091661e-03 -1.762282486e-02 -2.613445696e-02 5.94 -4.818800087e-03 -1.689110236e-02 -2.508126581e-02 5.96 -4.582455302e-03 -1.617934860e-02 -2.405162579e-02 5.98 -4.356905357e-03 -1.548560683e-02 -2.304346712e-02 6.00 -4.141065525e-03 -1.480811303e-02 -2.205492079e-02