# 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 = Mo3Pd # 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 3.862631880e+02 nan nan 1.16 3.555359287e+02 nan nan 1.18 3.273154619e+02 nan nan 1.20 3.013591843e+02 nan nan 1.22 2.774513636e+02 nan nan 1.24 2.554020106e+02 nan nan 1.26 2.350466871e+02 nan nan 1.28 2.162455327e+02 3.347702445e+02 3.836789701e+02 1.30 1.988793661e+02 3.101933590e+02 3.561109536e+02 1.32 1.828433688e+02 2.874334691e+02 3.305556056e+02 1.34 1.680410673e+02 2.663448653e+02 3.068532741e+02 1.36 1.543806960e+02 2.467947861e+02 2.848596526e+02 1.38 1.417739620e+02 2.286604407e+02 2.644436031e+02 1.40 1.301361932e+02 2.118278383e+02 2.454846116e+02 1.42 1.193871324e+02 1.961919446e+02 2.278705741e+02 1.44 1.094520648e+02 1.816571935e+02 2.114969539e+02 1.46 1.002629330e+02 1.681375170e+02 1.962673226e+02 1.48 9.175894328e+01 1.555557119e+02 1.820942469e+02 1.50 8.388634809e+01 1.438425241e+02 1.688994425e+02 1.52 7.659750396e+01 1.329358164e+02 1.566128146e+02 1.54 6.984960504e+01 1.227798310e+02 1.451707272e+02 1.56 6.360358550e+01 1.133243302e+02 1.345141992e+02 1.58 5.782351299e+01 1.045235071e+02 1.245876466e+02 1.60 5.247640899e+01 9.633481089e+01 1.153384108e+02 1.62 4.753214215e+01 8.871796180e+01 1.067168972e+02 1.64 4.296308582e+01 8.163434386e+01 9.867693604e+01 1.66 3.874559711e+01 7.504679844e+01 9.117602204e+01 1.68 3.486452542e+01 6.891972074e+01 8.417530365e+01 1.70 3.130929780e+01 6.321931246e+01 7.763938858e+01 1.72 2.805702300e+01 5.791384968e+01 7.153608287e+01 1.74 2.508277728e+01 5.297388648e+01 6.583611259e+01 1.76 2.236257379e+01 4.837237937e+01 6.051279943e+01 1.78 1.987358093e+01 4.408472761e+01 5.554165197e+01 1.80 1.759434934e+01 4.008920902e+01 5.089990235e+01 1.82 1.550500391e+01 3.637315309e+01 4.656609618e+01 1.84 1.358739738e+01 3.293429060e+01 4.251984086e+01 1.86 1.182523058e+01 2.975794023e+01 3.874395342e+01 1.88 1.020412539e+01 2.682480418e+01 3.522564663e+01 1.90 8.711611018e+00 2.411712271e+01 3.195455036e+01 1.92 7.336985945e+00 2.161858828e+01 2.892469168e+01 1.94 6.071060891e+00 1.931420581e+01 2.611975989e+01 1.96 4.905839004e+00 1.719012189e+01 2.352411977e+01 1.98 3.834206735e+00 1.523344640e+01 2.112277945e+01 2.00 2.849686270e+00 1.343208258e+01 1.890131299e+01 2.02 1.946263142e+00 1.177457560e+01 1.684590910e+01 2.04 1.118277547e+00 1.024998787e+01 1.494352563e+01 2.06 3.603628176e-01 8.847812506e+00 1.318208352e+01 2.08 -3.325792128e-01 7.557940049e+00 1.155062143e+01 2.10 -9.653721668e-01 6.370690984e+00 1.003935754e+01 2.12 -1.542539089e+00 5.276912570e+00 8.639648157e+00 2.14 -2.068274927e+00 4.268116764e+00 7.343868691e+00 2.16 -2.546436211e+00 3.336617962e+00 6.145256631e+00 2.18 -2.980555567e+00 2.475626554e+00 5.037748906e+00 2.20 -3.373874547e+00 1.679269604e+00 4.015831287e+00 2.22 -3.729381279e+00 9.425349680e-01 3.074407070e+00 2.24 -4.049841522e+00 2.611571763e-01 2.208689064e+00 2.26 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2.62 -5.808537384e+00 -5.674468576e+00 -5.121113419e+00 2.64 -5.738936821e+00 -5.750064765e+00 -5.239284984e+00 2.66 -5.655636381e+00 -5.810959786e+00 -5.343232567e+00 2.68 -5.558943968e+00 -5.858064240e+00 -5.433805838e+00 2.70 -5.449357752e+00 -5.892236709e+00 -5.512229870e+00 2.72 -5.327579963e+00 -5.914302626e+00 -5.579639190e+00 2.74 -5.194532517e+00 -5.925058318e+00 -5.637090991e+00 2.76 -5.051369976e+00 -5.925020679e+00 -5.685566815e+00 2.78 -4.899526121e+00 -5.914398484e+00 -5.725964033e+00 2.80 -4.740663857e+00 -5.893321667e+00 -5.759081790e+00 2.82 -4.576569743e+00 -5.861925964e+00 -5.785596059e+00 2.84 -4.409072987e+00 -5.820481413e+00 -5.805767701e+00 2.86 -4.239952530e+00 -5.769698713e+00 -5.819489714e+00 2.88 -4.070845074e+00 -5.709828124e+00 -5.826636691e+00 2.90 -3.903168514e+00 -5.641092254e+00 -5.827070396e+00 2.92 -3.738072024e+00 -5.563831601e+00 -5.820631955e+00 2.94 -3.576418446e+00 -5.478500464e+00 -5.807341950e+00 2.96 -3.418798108e+00 -5.385654746e+00 -5.787106499e+00 2.98 -3.265567736e+00 -5.285950634e+00 -5.759557965e+00 3.00 -3.116904633e+00 -5.180177611e+00 -5.724333619e+00 3.02 -2.972865360e+00 -5.069137090e+00 -5.681080418e+00 3.04 -2.833439335e+00 -4.953575360e+00 -5.629461762e+00 3.06 -2.698590470e+00 -4.834152137e+00 -5.569165433e+00 3.08 -2.568283335e+00 -4.711417624e+00 -5.499911727e+00 3.10 -2.442493727e+00 -4.585800433e+00 -5.421469562e+00 3.12 -2.321206302e+00 -4.457606919e+00 -5.333702699e+00 3.14 -2.204403760e+00 -4.327030974e+00 -5.236540364e+00 3.16 -2.092052719e+00 -4.194172255e+00 -5.129963017e+00 3.18 -1.984090973e+00 -4.059060394e+00 -5.014007290e+00 3.20 -1.880419558e+00 -3.921682784e+00 -4.888771713e+00 3.22 -1.780901393e+00 -3.782013923e+00 -4.754424565e+00 3.24 -1.685366581e+00 -3.640044816e+00 -4.611214910e+00 3.26 -1.593623185e+00 -3.495811270e+00 -4.459487246e+00 3.28 -1.505471480e+00 -3.349420115e+00 -4.299699428e+00 3.30 -1.420719395e+00 -3.201072282e+00 -4.132442464e+00 3.32 -1.339196994e+00 -3.051081442e+00 -3.958459809e+00 3.34 -1.260768211e+00 -2.899886681e+00 -3.778662894e+00 3.36 -1.185338573e+00 -2.748057517e+00 -3.594139183e+00 3.38 -1.112858231e+00 -2.596289746e+00 -3.406149140e+00 3.40 -1.043320148e+00 -2.445391104e+00 -3.216109358e+00 3.42 -9.767538663e-01 -2.296256641e+00 -3.025560563e+00 3.44 -9.132157017e-01 -2.149834905e+00 -2.836121297e+00 3.46 -8.527765774e-01 -2.007087276e+00 -2.649430204e+00 3.48 -7.955089285e-01 -1.868943926e+00 -2.467081776e+00 3.50 -7.414741079e-01 -1.736260525e+00 -2.290561644e+00 3.52 -6.907115699e-01 -1.609779809e+00 -2.121187741e+00 3.54 -6.432307787e-01 -1.490101576e+00 -1.960062914e+00 3.56 -5.990063647e-01 -1.377663435e+00 -1.808042981e+00 3.58 -5.579765839e-01 -1.272733232e+00 -1.665722062e+00 3.60 -5.200447959e-01 -1.175412624e+00 -1.533434840e+00 3.62 -4.850833331e-01 -1.085650075e+00 -1.411273549e+00 3.64 -4.529389858e-01 -1.003260815e+00 -1.299116191e+00 3.66 -4.234393538e-01 -9.279510115e-01 -1.196661921e+00 3.68 -3.963993330e-01 -8.593435424e-01 -1.103469638e+00 3.70 -3.716273221e-01 -7.970031939e-01 -1.018996360e+00 3.72 -3.489308817e-01 -7.404596643e-01 -9.426327875e-01 3.74 -3.281209535e-01 -6.892273809e-01 -8.737343688e-01 3.76 -3.090153446e-01 -6.428216617e-01 -8.116470180e-01 3.78 -2.914412264e-01 -6.007711873e-01 -7.557272854e-01 3.80 -2.752367365e-01 -5.626270458e-01 -7.053572847e-01 3.82 -2.602518311e-01 -5.279687934e-01 -6.599549724e-01 3.84 -2.463485385e-01 -4.964080546e-01 -6.189805214e-01 3.86 -2.334007691e-01 -4.675901976e-01 -5.819395690e-01 3.88 -2.212938156e-01 -4.411945821e-01 -5.483840732e-01 3.90 -2.099236641e-01 -4.169338132e-01 -5.179114287e-01 3.92 -1.991962158e-01 -3.945523585e-01 -4.901623851e-01 3.94 -1.890265022e-01 -3.738247957e-01 -4.648182040e-01 3.96 -1.793379574e-01 -3.545539005e-01 -4.415973902e-01 3.98 -1.700618034e-01 -3.365687037e-01 -4.202522473e-01 4.00 -1.611365863e-01 -3.197225646e-01 -4.005654225e-01 4.02 -1.525078923e-01 -3.038912534e-01 -3.823465873e-01 4.04 -1.441282606e-01 -2.889710377e-01 -3.654293101e-01 4.06 -1.359572929e-01 -2.748766553e-01 -3.496681572e-01 4.08 -1.279619420e-01 -2.615392132e-01 -3.349360430e-01 4.10 -1.201169380e-01 -2.489040867e-01 -3.211218546e-01 4.12 -1.124052817e-01 -2.369282182e-01 -3.081282337e-01 4.14 -1.048187091e-01 -2.255775014e-01 -2.958698939e-01 4.16 -9.735800014e-02 -2.148241477e-01 -2.842719333e-01 4.18 -9.003299380e-02 -2.046441684e-01 -2.732682528e-01 4.20 -8.286217187e-02 -1.950151441e-01 -2.628003024e-01 4.22 -7.587170304e-02 -1.859144399e-01 -2.528159823e-01 4.24 -6.909389599e-02 -1.773179413e-01 -2.432686849e-01 4.26 -6.256511204e-02 -1.691993524e-01 -2.341164629e-01 4.28 -5.632323391e-02 -1.615299994e-01 -2.253213114e-01 4.30 -5.040493270e-02 -1.542790711e-01 -2.168485534e-01 4.32 -4.484300481e-02 -1.474141364e-01 -2.086663170e-01 4.34 -3.966404239e-02 -1.409017376e-01 -2.007451005e-01 4.36 -3.488673771e-02 -1.347080056e-01 -1.930574164e-01 4.38 -3.052091515e-02 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-5.147523013e-07 -2.734958020e-05 -4.093228423e-05 5.82 -4.498204042e-07 -2.376897501e-05 -3.557324464e-05 5.84 -3.933036845e-07 -2.066852858e-05 -3.093287842e-05 5.86 -3.440826212e-07 -1.798235526e-05 -2.691256805e-05 5.88 -3.011904475e-07 -1.565380754e-05 -2.342752422e-05 5.90 -2.637917911e-07 -1.363415495e-05 -2.040480811e-05 5.92 -2.311643736e-07 -1.188145501e-05 -1.778164144e-05 5.94 -2.026833203e-07 -1.035958816e-05 -1.550396185e-05 5.96 -1.778076976e-07 -9.037432405e-06 -1.352518739e-05 5.98 -1.560689566e-07 -7.888157141e-06 -1.180515954e-05 6.00 -1.370610063e-07 -6.888618740e-06 -1.030923844e-05