# 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 = Mg3Ta # 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 5.013875661e+02 nan nan 1.16 4.615232795e+02 nan nan 1.18 4.249242945e+02 nan nan 1.20 3.913005976e+02 nan nan 1.22 3.603944599e+02 nan nan 1.24 3.319749115e+02 nan nan 1.26 3.058325279e+02 nan nan 1.28 2.817760542e+02 4.344653097e+02 4.964602610e+02 1.30 2.596308563e+02 4.026973043e+02 4.609614012e+02 1.32 2.392381352e+02 3.733099541e+02 4.280852827e+02 1.34 2.204537841e+02 3.461104350e+02 3.976228537e+02 1.36 2.031465181e+02 3.209255573e+02 3.693860026e+02 1.38 1.871956423e+02 2.975993159e+02 3.432041525e+02 1.40 1.724892316e+02 2.759901617e+02 3.189205866e+02 1.42 1.589231893e+02 2.559684062e+02 2.963894560e+02 1.44 1.464012750e+02 2.374139757e+02 2.754740509e+02 1.46 1.348357438e+02 2.202146913e+02 2.560465692e+02 1.48 1.241478860e+02 2.042652082e+02 2.379890320e+02 1.50 1.142677790e+02 1.894666669e+02 2.211943964e+02 1.52 1.051355633e+02 1.757269954e+02 2.055668208e+02 1.54 9.669944855e+01 1.629615698e+02 1.910207442e+02 1.56 8.890791959e+01 1.510937911e+02 1.774792881e+02 1.58 8.171342724e+01 1.400551503e+02 1.648726117e+02 1.60 7.507124389e+01 1.297846007e+02 1.531365690e+02 1.62 6.893955849e+01 1.202274244e+02 1.422117054e+02 1.64 6.327929634e+01 1.113339975e+02 1.320424966e+02 1.66 5.805355807e+01 1.030618203e+02 1.225767643e+02 1.68 5.322764563e+01 9.537157265e+01 1.137652471e+02 1.70 4.876924768e+01 8.822343786e+01 1.055615982e+02 1.72 4.464868760e+01 8.158029089e+01 9.792584890e+01 1.74 4.083910480e+01 7.540732816e+01 9.081765367e+01 1.76 3.731644738e+01 6.967200617e+01 8.419824649e+01 1.78 3.405925437e+01 6.434434665e+01 7.803203939e+01 1.80 3.104829071e+01 5.939645687e+01 7.228634070e+01 1.82 2.826613274e+01 5.480229883e+01 6.693200295e+01 1.84 2.569679867e+01 5.053750930e+01 6.194261519e+01 1.86 2.332546997e+01 4.657926428e+01 5.729396135e+01 1.88 2.113830742e+01 4.290616451e+01 5.296362761e+01 1.90 1.912234060e+01 3.949813180e+01 4.893070886e+01 1.92 1.726540733e+01 3.633629520e+01 4.517560456e+01 1.94 1.555612069e+01 3.340288237e+01 4.167991132e+01 1.96 1.398384181e+01 3.068113713e+01 3.842636859e+01 1.98 1.253865071e+01 2.815529233e+01 3.539883485e+01 2.00 1.121130572e+01 2.581059362e+01 3.258226432e+01 2.02 9.993182800e+00 2.363335311e+01 2.996266771e+01 2.04 8.876207000e+00 2.161100620e+01 2.752705514e+01 2.06 7.852777864e+00 1.973213794e+01 2.526335144e+01 2.08 6.915708593e+00 1.798645344e+01 2.316029134e+01 2.10 6.058238202e+00 1.636469173e+01 2.120729512e+01 2.12 5.274005464e+00 1.485850120e+01 1.939435202e+01 2.14 4.556693783e+00 1.346030231e+01 1.771192407e+01 2.16 3.900362910e+00 1.216316039e+01 1.615087986e+01 2.18 3.299499052e+00 1.096067138e+01 1.470246348e+01 2.20 2.749031302e+00 9.846866581e+00 1.335829762e+01 2.22 2.244453352e+00 8.816130092e+00 1.211043725e+01 2.24 1.782191609e+00 7.863136129e+00 1.095144289e+01 2.26 1.359069190e+00 6.982803582e+00 9.874467358e+00 2.28 9.721125053e-01 6.170261548e+00 8.873315924e+00 2.30 6.185635124e-01 5.420954391e+00 7.942464737e+00 2.32 2.958842321e-01 4.730329520e+00 7.077020902e+00 2.34 1.752429433e-03 4.093813148e+00 6.272642841e+00 2.36 -2.659496990e-01 3.507060984e+00 5.525439610e+00 2.38 -5.091526010e-01 2.965994812e+00 4.831928414e+00 2.40 -7.296209339e-01 2.466844715e+00 4.188881003e+00 2.42 -9.289751443e-01 2.006433011e+00 3.593137006e+00 2.44 -1.108712742e+00 1.582196578e+00 3.041737220e+00 2.46 -1.270227197e+00 1.191692704e+00 2.531906144e+00 2.48 -1.414823161e+00 8.325924757e-01 2.061035773e+00 2.50 -1.543727635e+00 5.027073159e-01 1.626667498e+00 2.52 -1.658097560e+00 2.000014995e-01 1.226483192e+00 2.54 -1.759024397e+00 -7.740694391e-02 8.584473122e-01 2.56 -1.847539288e+00 -3.312534449e-01 5.208022745e-01 2.58 -1.924612489e+00 -5.631390829e-01 2.118431877e-01 2.60 -1.991158086e+00 -7.745453291e-01 -7.009864268e-02 2.62 -2.048034458e+00 -9.668487777e-01 -3.266593289e-01 2.64 -2.096047622e+00 -1.141337370e+00 -5.594502955e-01 2.66 -2.135952373e+00 -1.299218172e+00 -7.700600094e-01 2.68 -2.168455395e+00 -1.441628475e+00 -9.600597144e-01 2.70 -2.194217220e+00 -1.569640753e+00 -1.131000884e+00 2.72 -2.213853925e+00 -1.684266200e+00 -1.284407151e+00 2.74 -2.227938133e+00 -1.786456801e+00 -1.421760159e+00 2.76 -2.236999317e+00 -1.877106569e+00 -1.544481337e+00 2.78 -2.241523358e+00 -1.957052249e+00 -1.653912665e+00 2.80 -2.241952856e+00 -2.027076173e+00 -1.751300188e+00 2.82 -2.238685854e+00 -2.087906017e+00 -1.837781251e+00 2.84 -2.232077513e+00 -2.140219416e+00 -1.914378530e+00 2.86 -2.222441586e+00 -2.184646961e+00 -1.981999417e+00 2.88 -2.210054758e+00 -2.221775887e+00 -2.041440923e+00 2.90 -2.195158751e+00 -2.252153616e+00 -2.093399154e+00 2.92 -2.177965818e+00 -2.276290896e+00 -2.138482081e+00 2.94 -2.158664715e+00 -2.294664412e+00 -2.177223971e+00 2.96 -2.137422063e+00 -2.307718871e+00 -2.210098572e+00 2.98 -2.114388085e+00 -2.315868621e+00 -2.237536438e+00 3.00 -2.089698943e+00 -2.319498995e+00 -2.259927655e+00 3.02 -2.063478878e+00 -2.318967553e+00 -2.277634835e+00 3.04 -2.035841658e+00 -2.314604915e+00 -2.290996896e+00 3.06 -2.006894296e+00 -2.306718637e+00 -2.300332513e+00 3.08 -1.976794352e+00 -2.295591627e+00 -2.305942256e+00 3.10 -1.945591501e+00 -2.281487170e+00 -2.308109819e+00 3.12 -1.913292693e+00 -2.264650446e+00 -2.307102600e+00 3.14 -1.879907924e+00 -2.245313807e+00 -2.303171769e+00 3.16 -1.845448923e+00 -2.223696166e+00 -2.296551949e+00 3.18 -1.809928696e+00 -2.200008641e+00 -2.287460668e+00 3.20 -1.773361013e+00 -2.174456683e+00 -2.276097674e+00 3.22 -1.735680427e+00 -2.147248213e+00 -2.262645245e+00 3.24 -1.696683602e+00 -2.118613931e+00 -2.247267524e+00 3.26 -1.656183300e+00 -2.088708061e+00 -2.230112065e+00 3.28 -1.614030429e+00 -2.057679892e+00 -2.211311086e+00 3.30 -1.570121524e+00 -2.025690056e+00 -2.190983255e+00 3.32 -1.524408112e+00 -1.992906871e+00 -2.169235566e+00 3.34 -1.476906472e+00 -1.959440200e+00 -2.146165084e+00 3.36 -1.427707296e+00 -1.925312116e+00 -2.121860410e+00 3.38 -1.376980228e+00 -1.890589901e+00 -2.096402796e+00 3.40 -1.324975622e+00 -1.855385565e+00 -2.069866925e+00 3.42 -1.272018462e+00 -1.819776554e+00 -2.042321459e+00 3.44 -1.218497782e+00 -1.783852223e+00 -2.013875987e+00 3.46 -1.164845596e+00 -1.747705991e+00 -1.984581287e+00 3.48 -1.111515912e+00 -1.711425510e+00 -1.954435484e+00 3.50 -1.058959068e+00 -1.675085855e+00 -1.923439434e+00 3.52 -1.007598793e+00 -1.638745689e+00 -1.891599213e+00 3.54 -9.578096630e-01 -1.602438818e+00 -1.858921682e+00 3.56 -9.099030014e-01 -1.566118300e+00 -1.825418540e+00 3.58 -8.641175067e-01 -1.529693506e+00 -1.791105218e+00 3.60 -8.206166651e-01 -1.493071287e+00 -1.755935730e+00 3.62 -7.794918247e-01 -1.456159428e+00 -1.719771827e+00 3.64 -7.407695889e-01 -1.418870754e+00 -1.682490608e+00 3.66 -7.044219548e-01 -1.381127853e+00 -1.643995296e+00 3.68 -6.703776752e-01 -1.342868205e+00 -1.604217419e+00 3.70 -6.385335950e-01 -1.304049502e+00 -1.563119813e+00 3.72 -6.087650669e-01 -1.264654839e+00 -1.520700282e+00 3.74 -5.809349172e-01 -1.224697433e+00 -1.476995549e+00 3.76 -5.549007372e-01 -1.184224358e+00 -1.432084941e+00 3.78 -5.305205032e-01 -1.143318807e+00 -1.386092989e+00 3.80 -5.076566693e-01 -1.102100351e+00 -1.339190090e+00 3.82 -4.861789531e-01 -1.060722803e+00 -1.291590452e+00 3.84 -4.659660612e-01 -1.019369506e+00 -1.243546862e+00 3.86 -4.469065880e-01 -9.782461491e-01 -1.195342262e+00 3.88 -4.288992993e-01 -9.375715673e-01 -1.147278629e+00 3.90 -4.118529753e-01 -8.975673086e-01 -1.099664068e+00 3.92 -3.956856846e-01 -8.584466321e-01 -1.052798966e+00 3.94 -3.803252746e-01 -8.204059469e-01 -1.006964855e+00 3.96 -3.657068164e-01 -7.836145729e-01 -9.624110237e-01 3.98 -3.517730818e-01 -7.482104434e-01 -9.193481579e-01 4.00 -3.384734011e-01 -7.142966095e-01 -8.779428900e-01 4.02 -3.257628917e-01 -6.819407236e-01 -8.383160106e-01 4.04 -3.136017377e-01 -6.511767435e-01 -8.005435412e-01 4.06 -3.019545306e-01 -6.220083079e-01 -7.646601056e-01 4.08 -2.907896786e-01 -5.944131815e-01 -7.306639182e-01 4.10 -2.800788854e-01 -5.683471947e-01 -6.985227020e-01 4.12 -2.697966952e-01 -5.437534522e-01 -6.681799276e-01 4.14 -2.599201001e-01 -5.205603138e-01 -6.395608891e-01 4.16 -2.504282039e-01 -4.986902472e-01 -6.125782747e-01 4.18 -2.413019349e-01 -4.780620548e-01 -5.871370254e-01 4.20 -2.325231160e-01 -4.585936815e-01 -5.631383916e-01 4.22 -2.240771409e-01 -4.402043742e-01 -5.404831813e-01 4.24 -2.159482426e-01 -4.228162583e-01 -5.190742552e-01 4.26 -2.081225608e-01 -4.063554164e-01 -4.988183571e-01 4.28 -2.005871581e-01 -3.907525575e-01 -4.796273838e-01 4.30 -1.933299124e-01 -3.759433640e-01 -4.614192006e-01 4.32 -1.863394251e-01 -3.618685942e-01 -4.441180962e-01 4.34 -1.796049420e-01 -3.484740061e-01 -4.276549615e-01 4.36 -1.731160995e-01 -3.357101579e-01 -4.119672539e-01 4.38 -1.668636433e-01 -3.235321278e-01 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-1.719498239e-01 -2.119049421e-01 4.76 -8.261717861e-02 -1.661372628e-01 -2.049067020e-01 4.78 -7.954991084e-02 -1.605209833e-01 -1.981487430e-01 4.80 -7.658086130e-02 -1.550925595e-01 -1.916202013e-01 4.82 -7.370534644e-02 -1.498459159e-01 -1.853110646e-01 4.84 -7.091884281e-02 -1.447733949e-01 -1.792121089e-01 4.86 -6.821699818e-02 -1.398684410e-01 -1.733148294e-01 4.88 -6.559565768e-02 -1.351248410e-01 -1.676113694e-01 4.90 -6.305089362e-02 -1.305366858e-01 -1.620944483e-01 4.92 -6.057904264e-02 -1.260983350e-01 -1.567572937e-01 4.94 -5.817675065e-02 -1.218043837e-01 -1.515935775e-01 4.96 -5.584102399e-02 -1.176496336e-01 -1.465973579e-01 4.98 -5.356928476e-02 -1.136290660e-01 -1.417630274e-01 5.00 -5.135942606e-02 -1.097378202e-01 -1.370852683e-01 5.02 -4.920986197e-02 -1.059711747e-01 -1.325590138e-01 5.04 -4.711956502e-02 -1.023245325e-01 -1.281794166e-01 5.06 -4.508808233e-02 -9.879341131e-02 -1.239418216e-01 5.08 -4.311552341e-02 -9.537343650e-02 -1.198417447e-01 5.10 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-6.518500408e-02 5.46 -1.741577339e-02 -4.681705429e-02 -6.300243320e-02 5.48 -1.658943756e-02 -4.497204110e-02 -6.089062783e-02 5.50 -1.579616380e-02 -4.319323009e-02 -5.884709245e-02 5.52 -1.503375652e-02 -4.148075540e-02 -5.686938856e-02 5.54 -1.430042674e-02 -3.983449857e-02 -5.495481903e-02 5.56 -1.359478880e-02 -3.825401046e-02 -5.310172184e-02 5.58 -1.291583903e-02 -3.673845784e-02 -5.130743994e-02 5.60 -1.226291749e-02 -3.528659812e-02 -4.956972873e-02 5.62 -1.163565468e-02 -3.389678230e-02 -4.788638289e-02 5.64 -1.103390598e-02 -3.256698317e-02 -4.625523264e-02 5.66 -1.045767760e-02 -3.129484348e-02 -4.467414016e-02 5.68 -9.907048740e-03 -3.007773737e-02 -4.314099627e-02 5.70 -9.382095357e-03 -2.891283851e-02 -4.165371723e-02 5.72 -8.882820851e-03 -2.779718863e-02 -4.021024184e-02 5.74 -8.409098502e-03 -2.672776073e-02 -3.880852613e-02 5.76 -7.960629214e-03 -2.570144728e-02 -3.744634148e-02 5.78 -7.536916507e-03 -2.471519729e-02 -3.612159839e-02 5.80 -7.137258873e-03 -2.376609871e-02 -3.483236246e-02 5.82 -6.760757949e-03 -2.285134458e-02 -3.357670769e-02 5.84 -6.406339685e-03 -2.196824358e-02 -3.235271898e-02 5.86 -6.072784877e-03 -2.111423266e-02 -3.115849599e-02 5.88 -5.758765303e-03 -2.028688449e-02 -2.999215872e-02 5.90 -5.462881898e-03 -1.948391153e-02 -2.885185517e-02 5.92 -5.183702053e-03 -1.870316807e-02 -2.773577138e-02 5.94 -4.919793914e-03 -1.794265190e-02 -2.664214415e-02 5.96 -4.669756327e-03 -1.720050649e-02 -2.556927366e-02 5.98 -4.432243846e-03 -1.647502474e-02 -2.451552341e-02 6.00 -4.205986766e-03 -1.576465483e-02 -2.347939073e-02