# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = CuNi3 # 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 2024-01-04 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 4.800996563e+02 nan nan 0.90 4.352087448e+02 nan nan 0.92 3.945217022e+02 nan nan 0.94 3.576497064e+02 nan nan 0.96 3.241895776e+02 nan nan 0.98 2.937780542e+02 4.415906827e+02 4.946903734e+02 1.00 2.661004094e+02 4.043286707e+02 4.534942817e+02 1.02 2.408931159e+02 3.698423018e+02 4.157641957e+02 1.04 2.178707719e+02 3.379362628e+02 3.811737881e+02 1.06 1.968066897e+02 3.084265014e+02 3.494111752e+02 1.08 1.775110137e+02 2.811454407e+02 3.201896800e+02 1.10 1.598602502e+02 2.559645584e+02 2.932396369e+02 1.12 1.437367664e+02 2.327740840e+02 2.683454127e+02 1.14 1.290113704e+02 2.114527151e+02 2.453508517e+02 1.16 1.155658671e+02 1.918507465e+02 2.241130318e+02 1.18 1.033071638e+02 1.738478628e+02 2.044968635e+02 1.20 9.214885657e+01 1.573373542e+02 1.863848230e+02 1.22 8.200583468e+01 1.422097558e+02 1.696656783e+02 1.24 7.281525743e+01 1.283556540e+02 1.542363074e+02 1.26 6.451127455e+01 1.156743709e+02 1.400136911e+02 1.28 5.702516767e+01 1.040837939e+02 1.269169058e+02 1.30 5.029035467e+01 9.350709121e+01 1.148634622e+02 1.32 4.425117205e+01 8.386524951e+01 1.037762525e+02 1.34 3.886664570e+01 7.509590881e+01 9.358763493e+01 1.36 3.408850955e+01 6.713257099e+01 8.425019480e+01 1.38 2.986784249e+01 5.990984737e+01 7.570328911e+01 1.40 2.615963134e+01 5.337110695e+01 6.789497173e+01 1.42 2.292321212e+01 4.747685984e+01 6.078126191e+01 1.44 2.012408973e+01 4.218873252e+01 5.431176764e+01 1.46 1.772391570e+01 3.745939692e+01 4.844205161e+01 1.48 1.568517338e+01 3.324494451e+01 4.313362262e+01 1.50 1.397293647e+01 2.950756655e+01 3.834480954e+01 1.52 1.225005021e+01 2.620736902e+01 3.403577386e+01 1.54 1.053691710e+01 2.330597692e+01 3.017748938e+01 1.56 9.039958505e+00 2.076639231e+01 2.673929799e+01 1.58 7.741990990e+00 1.855324540e+01 2.368927740e+01 1.60 6.610075167e+00 1.663227996e+01 2.099693176e+01 1.62 5.621647017e+00 1.497649476e+01 1.864044859e+01 1.64 4.755151775e+00 1.355313195e+01 1.659639691e+01 1.66 3.987967538e+00 1.197902893e+01 1.483872265e+01 1.68 3.297918996e+00 1.043794747e+01 1.334207096e+01 1.70 2.663229543e+00 9.050240361e+00 1.191265809e+01 1.72 2.067113270e+00 7.808379721e+00 1.037285792e+01 1.74 1.504605146e+00 6.694441451e+00 9.010660104e+00 1.76 9.747062491e-01 5.693998152e+00 7.810457001e+00 1.78 4.787329110e-01 4.796008206e+00 6.750172548e+00 1.80 1.543773823e-02 3.989596044e+00 5.806519312e+00 1.82 -4.165002339e-01 3.263995610e+00 4.964511137e+00 1.84 -8.177455756e-01 2.608520746e+00 4.213990253e+00 1.86 -1.188688926e+00 2.012400799e+00 3.540168172e+00 1.88 -1.530807129e+00 1.465889809e+00 2.927535987e+00 1.90 -1.847410770e+00 9.586220724e-01 2.360679588e+00 1.92 -2.139115668e+00 4.823921303e-01 1.826253465e+00 1.94 -2.406392143e+00 3.626556064e-02 1.319911520e+00 1.96 -2.649891330e+00 -3.805581150e-01 8.409183648e-01 1.98 -2.870350940e+00 -7.686875951e-01 3.895808020e-01 2.00 -3.068516748e+00 -1.128614292e+00 -3.456250619e-02 2.02 -3.245132787e+00 -1.461145306e+00 -4.323971463e-01 2.04 -3.400960323e+00 -1.767480008e+00 -8.047581836e-01 2.06 -3.536394276e+00 -2.050763969e+00 -1.152402383e+00 2.08 -3.652027855e+00 -2.312293647e+00 -1.475980962e+00 2.10 -3.750269947e+00 -2.552338518e+00 -1.776539928e+00 2.12 -3.833230485e+00 -2.771541992e+00 -2.057063995e+00 2.14 -3.902033359e+00 -2.970727321e+00 -2.318469754e+00 2.16 -3.957364700e+00 -3.150697443e+00 -2.560706072e+00 2.18 -3.999668589e+00 -3.312221327e+00 -2.783422408e+00 2.20 -4.029826484e+00 -3.456044192e+00 -2.987159575e+00 2.22 -4.048692101e+00 -3.582871028e+00 -3.172396802e+00 2.24 -4.057084760e+00 -3.693402515e+00 -3.339586337e+00 2.26 -4.055786706e+00 -3.788345986e+00 -3.489157985e+00 2.28 -4.045558495e+00 -3.868616542e+00 -3.621522687e+00 2.30 -4.027210775e+00 -3.935847020e+00 -3.737082676e+00 2.32 -4.001536752e+00 -3.990980378e+00 -3.836474735e+00 2.34 -3.969279702e+00 -4.035291375e+00 -3.921113776e+00 2.36 -3.931131597e+00 -4.069696961e+00 -3.992712228e+00 2.38 -3.887652385e+00 -4.095010505e+00 -4.052415686e+00 2.40 -3.839067540e+00 -4.112012019e+00 -4.101090830e+00 2.42 -3.786613909e+00 -4.121159613e+00 -4.138916585e+00 2.44 -3.731695252e+00 -4.123035315e+00 -4.166422267e+00 2.46 -3.674735132e+00 -4.118305062e+00 -4.184381431e+00 2.48 -3.616155562e+00 -4.107610218e+00 -4.193556888e+00 2.50 -3.556378145e+00 -4.091581611e+00 -4.194668084e+00 2.52 -3.495819023e+00 -4.070249245e+00 -4.188391046e+00 2.54 -3.434867013e+00 -4.043338112e+00 -4.175357540e+00 2.56 -3.373919125e+00 -4.011180259e+00 -4.156153177e+00 2.58 -3.312521786e+00 -3.974013674e+00 -4.131321391e+00 2.60 -3.250090910e+00 -3.931980137e+00 -4.101371884e+00 2.62 -3.186856643e+00 -3.885258576e+00 -4.066790975e+00 2.64 -3.123054346e+00 -3.835337276e+00 -4.028045950e+00 2.66 -3.058913510e+00 -3.783302628e+00 -3.985498463e+00 2.68 -2.994579742e+00 -3.729377243e+00 -3.939300840e+00 2.70 -2.930175014e+00 -3.673737167e+00 -3.889632872e+00 2.72 -2.865819863e+00 -3.616552504e+00 -3.838159396e+00 2.74 -2.801607433e+00 -3.558031028e+00 -3.785750537e+00 2.76 -2.737614534e+00 -3.498385313e+00 -3.732768170e+00 2.78 -2.673904144e+00 -3.437806853e+00 -3.679199084e+00 2.80 -2.610527752e+00 -3.376495220e+00 -3.624371377e+00 2.82 -2.547526137e+00 -3.314662470e+00 -3.568414500e+00 2.84 -2.484928488e+00 -3.252532190e+00 -3.511454549e+00 2.86 -2.422750464e+00 -3.190334761e+00 -3.453602053e+00 2.88 -2.360992557e+00 -3.128303431e+00 -3.394973771e+00 2.90 -2.299649416e+00 -3.066671949e+00 -3.335691868e+00 2.92 -2.238718014e+00 -3.005671922e+00 -3.275881871e+00 2.94 -2.178178300e+00 -2.945471110e+00 -3.215669947e+00 2.96 -2.117981542e+00 -2.885488134e+00 -3.155179538e+00 2.98 -2.058357962e+00 -2.825614118e+00 -3.094510079e+00 3.00 -1.999585332e+00 -2.765923705e+00 -3.033719953e+00 3.02 -1.941655694e+00 -2.706479864e+00 -2.972878920e+00 3.04 -1.884564001e+00 -2.647335574e+00 -2.912077689e+00 3.06 -1.828311113e+00 -2.588532581e+00 -2.851398517e+00 3.08 -1.772900816e+00 -2.530100293e+00 -2.790914817e+00 3.10 -1.718337912e+00 -2.472054247e+00 -2.730692820e+00 3.12 -1.664629308e+00 -2.414395592e+00 -2.670792610e+00 3.14 -1.611782638e+00 -2.357112130e+00 -2.611269057e+00 3.16 -1.559805089e+00 -2.300180189e+00 -2.552171970e+00 3.18 -1.508702535e+00 -2.243566564e+00 -2.493546471e+00 3.20 -1.458478949e+00 -2.187232063e+00 -2.435429659e+00 3.22 -1.409137321e+00 -2.131181064e+00 -2.377847312e+00 3.24 -1.360682557e+00 -2.075648014e+00 -2.320819440e+00 3.26 -1.313121778e+00 -2.020668925e+00 -2.264361620e+00 3.28 -1.266462255e+00 -1.966338818e+00 -2.208485315e+00 3.30 -1.220711142e+00 -1.912731424e+00 -2.153193860e+00 3.32 -1.175875398e+00 -1.859856513e+00 -2.098495359e+00 3.34 -1.131961673e+00 -1.807722922e+00 -2.044720499e+00 3.36 -1.088976270e+00 -1.756337967e+00 -1.992034192e+00 3.38 -1.046925062e+00 -1.705706729e+00 -1.940473421e+00 3.40 -1.005813580e+00 -1.655831957e+00 -1.889963477e+00 3.42 -9.656466744e-01 -1.606715876e+00 -1.840160268e+00 3.44 -9.264287160e-01 -1.558361005e+00 -1.791039067e+00 3.46 -8.881635447e-01 -1.510770143e+00 -1.742602161e+00 3.48 -8.508545165e-01 -1.463946356e+00 -1.694852389e+00 3.50 -8.145045168e-01 -1.417892978e+00 -1.647793035e+00 3.52 -7.791160429e-01 -1.372613478e+00 -1.601427697e+00 3.54 -7.446912963e-01 -1.328111441e+00 -1.555759990e+00 3.56 -7.112322595e-01 -1.284390528e+00 -1.510793196e+00 3.58 -6.787407878e-01 -1.241454367e+00 -1.466529737e+00 3.60 -6.472187322e-01 -1.199306543e+00 -1.422970806e+00 3.62 -6.166682001e-01 -1.157951419e+00 -1.380117364e+00 3.64 -5.870918249e-01 -1.117394207e+00 -1.337970219e+00 3.66 -5.584925415e-01 -1.077639953e+00 -1.296528780e+00 3.68 -5.308740952e-01 -1.038693816e+00 -1.255791598e+00 3.70 -5.042414022e-01 -1.000562239e+00 -1.215757046e+00 3.72 -4.786007176e-01 -9.632518120e-01 -1.176424015e+00 3.74 -4.539600328e-01 -9.267688518e-01 -1.137792313e+00 3.76 -4.303293894e-01 -8.911193149e-01 -1.099862864e+00 3.78 -4.077212676e-01 -8.563088882e-01 -1.062637580e+00 3.80 -3.861516513e-01 -8.223429749e-01 -1.026119125e+00 3.82 -3.656428431e-01 -7.892267583e-01 -9.903103538e-01 3.84 -3.462219293e-01 -7.569652791e-01 -9.552140279e-01 3.86 -3.279200326e-01 -7.255634770e-01 -9.208323282e-01 3.88 -3.107732389e-01 -6.950262952e-01 -8.871666384e-01 3.90 -2.948226136e-01 -6.653587522e-01 -8.542172640e-01 3.92 -2.800293684e-01 -6.365662010e-01 -8.219832866e-01 3.94 -2.658621723e-01 -6.086542909e-01 -7.904629327e-01 3.96 -2.522179989e-01 -5.816286774e-01 -7.596537752e-01 3.98 -2.390924837e-01 -5.554948322e-01 -7.295527495e-01 4.00 -2.264825902e-01 -5.302589780e-01 -7.001561372e-01 4.02 -2.143856070e-01 -5.059282813e-01 -6.714596194e-01 4.04 -2.027977110e-01 -4.825110946e-01 -6.434582519e-01 4.06 -1.917171515e-01 -4.600172373e-01 -6.161466559e-01 4.08 -1.811407950e-01 -4.384582085e-01 -5.895189754e-01 4.10 -1.710639322e-01 -4.178474256e-01 -5.635686459e-01 4.12 -1.614906405e-01 -3.982005421e-01 -5.382886895e-01 4.14 -1.524254722e-01 -3.795357679e-01 -5.136717992e-01 4.16 -1.438612187e-01 -3.617817204e-01 -4.897102846e-01 4.18 -1.357874109e-01 -3.445908303e-01 -4.663961943e-01 4.20 -1.281999900e-01 -3.279176968e-01 -4.437213117e-01 4.22 -1.210962198e-01 -3.117518884e-01 -4.216772207e-01 4.24 -1.144821329e-01 -2.960815863e-01 -4.002555084e-01 4.26 -1.083564859e-01 -2.808956486e-01 -3.794495359e-01 4.28 -1.027099860e-01 -2.661830701e-01 -3.592539758e-01 4.30 -9.742403110e-02 -2.519346503e-01 -3.396634524e-01 4.32 -9.226913793e-02 -2.381410491e-01 -3.206728344e-01 4.34 -8.723825277e-02 -2.247933401e-01 -3.022774383e-01 4.36 -8.234554572e-02 -2.118841156e-01 -2.844723413e-01 4.38 -7.760458413e-02 -1.994019338e-01 -2.672540152e-01 4.40 -7.302536571e-02 -1.873543184e-01 -2.506182809e-01 4.42 -6.861735876e-02 -1.757439028e-01 -2.345633511e-01 4.44 -6.439003636e-02 -1.645481023e-01 -2.190857634e-01 4.46 -6.035303901e-02 -1.537470316e-01 -2.041832282e-01 4.48 -5.648144331e-02 -1.433299126e-01 -1.898564006e-01 4.50 -5.278073417e-02 -1.332793192e-01 -1.761283589e-01 4.52 -4.928720775e-02 -1.235973063e-01 -1.629965554e-01 4.54 -4.602945246e-02 -1.142989850e-01 -1.504364094e-01 4.56 -4.302854890e-02 -1.054126309e-01 -1.384443338e-01 4.58 -4.029818924e-02 -9.696633816e-02 -1.270397332e-01 4.60 -3.784489073e-02 -8.898462261e-02 -1.162108548e-01 4.62 -3.566845574e-02 -8.147722134e-02 -1.059640424e-01 4.64 -3.376279100e-02 -7.450853194e-02 -9.633379264e-02 4.66 -3.211967330e-02 -6.813558608e-02 -8.739797421e-02 4.68 -3.073246626e-02 -6.240065407e-02 -7.924491956e-02 4.70 -2.959315087e-02 -5.733595344e-02 -7.195330019e-02 4.72 -2.869319736e-02 -5.296745752e-02 -6.559374094e-02 4.74 -2.802479929e-02 -4.931605682e-02 -6.023063662e-02 4.76 -2.758183772e-02 -4.639042199e-02 -5.589987661e-02 4.78 -2.736054914e-02 -4.422105147e-02 -5.266159502e-02 4.80 -2.732950910e-02 -4.273485570e-02 -5.043332734e-02 4.82 -2.732860311e-02 -4.139333891e-02 -4.842105216e-02 4.84 -2.733111053e-02 -4.011763560e-02 -4.650749719e-02 4.86 -2.733429824e-02 -3.890804514e-02 -4.469311150e-02 4.88 -2.733666682e-02 -3.776472651e-02 -4.297813356e-02 4.90 -2.733774893e-02 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