# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Ackland-G-J-Vitek-V--Cu-Ag-Au # implementation = 1990--Ackland-G-J--Cu-Ag-Au--LAMMPS--ipr1 # composition = Ag3Au # 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 2023-05-12 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 3.733238054e+02 nan nan 0.84 3.444180608e+02 nan nan 0.86 3.182207234e+02 nan nan 0.88 2.943690704e+02 nan nan 0.90 2.726110619e+02 3.660824279e+02 nan 0.92 2.527589949e+02 3.400317175e+02 3.742713483e+02 0.94 2.345589309e+02 3.162035305e+02 3.482857024e+02 0.96 2.177984709e+02 2.943984444e+02 3.245052867e+02 0.98 2.023696652e+02 2.744242807e+02 3.026246524e+02 1.00 1.881330374e+02 2.560861764e+02 2.824317591e+02 1.02 1.749521145e+02 2.391681704e+02 2.637724723e+02 1.04 1.627435190e+02 2.234322268e+02 2.465037739e+02 1.06 1.514465244e+02 2.087399683e+02 2.305006122e+02 1.08 1.410232385e+02 1.950583272e+02 2.156618294e+02 1.10 1.313884674e+02 1.823921126e+02 2.019058456e+02 1.12 1.224512719e+02 1.706755941e+02 1.891586375e+02 1.14 1.141550426e+02 1.598148297e+02 1.773484065e+02 1.16 1.064515362e+02 1.497404723e+02 1.663949114e+02 1.18 9.930093571e+01 1.403681028e+02 1.562116477e+02 1.20 9.268434195e+01 1.316260955e+02 1.467236878e+02 1.22 8.656934540e+01 1.234446363e+02 1.378850049e+02 1.24 8.089203206e+01 1.157823897e+02 1.296494325e+02 1.26 7.559027463e+01 1.086047406e+02 1.219443493e+02 1.28 7.063348157e+01 1.018848918e+02 1.146970244e+02 1.30 6.601143293e+01 9.561191270e+01 1.078712552e+02 1.32 6.170300463e+01 8.975115503e+01 1.014626829e+02 1.34 5.768002809e+01 8.425128846e+01 9.545196355e+01 1.36 5.392065126e+01 7.908646440e+01 8.982262707e+01 1.38 5.040986346e+01 7.425577411e+01 8.455908513e+01 1.40 4.713735410e+01 6.974897285e+01 7.962253491e+01 1.42 4.409248454e+01 6.553984848e+01 7.498180090e+01 1.44 4.125553283e+01 6.160749699e+01 7.061051488e+01 1.46 3.859892459e+01 5.793234516e+01 6.647632617e+01 1.48 3.609617678e+01 5.448930850e+01 6.257097906e+01 1.50 3.372525072e+01 5.125308546e+01 5.889780780e+01 1.52 3.147763457e+01 4.819940349e+01 5.544822902e+01 1.54 2.935196793e+01 4.530844390e+01 5.220135635e+01 1.56 2.734596401e+01 4.257412210e+01 4.914563228e+01 1.58 2.545241155e+01 3.999591188e+01 4.627352902e+01 1.60 2.366223118e+01 3.756733014e+01 4.357288901e+01 1.62 2.196285299e+01 3.527286942e+01 4.102668283e+01 1.64 2.034553162e+01 3.310331119e+01 3.862052157e+01 1.66 1.881000389e+01 3.106108639e+01 3.634307989e+01 1.68 1.735756172e+01 2.914874413e+01 3.418334991e+01 1.70 1.598893007e+01 2.735814525e+01 3.213091925e+01 1.72 1.470515733e+01 2.567406851e+01 3.017618073e+01 1.74 1.350636163e+01 2.408120380e+01 2.831034495e+01 1.76 1.238680714e+01 2.256453622e+01 2.653345910e+01 1.78 1.133854895e+01 2.111000070e+01 2.485086318e+01 1.80 1.035505654e+01 1.971123058e+01 2.326771154e+01 1.82 9.430887351e+00 1.836809816e+01 2.177989612e+01 1.84 8.560693786e+00 1.708333522e+01 2.037918161e+01 1.86 7.740000635e+00 1.586051186e+01 1.905703135e+01 1.88 6.964951543e+00 1.470110674e+01 1.780513026e+01 1.90 6.231741016e+00 1.360465221e+01 1.661803307e+01 1.92 5.536962026e+00 1.256652642e+01 1.549291777e+01 1.94 4.877747550e+00 1.158166822e+01 1.442829891e+01 1.96 4.251912761e+00 1.064536285e+01 1.341991733e+01 1.98 3.658918020e+00 9.753898745e+00 1.246204836e+01 2.00 3.099175286e+00 8.904553135e+00 1.154898234e+01 2.02 2.573298381e+00 8.097129907e+00 1.067518601e+01 2.04 2.080638476e+00 7.332337706e+00 9.836102433e+00 2.06 1.619253971e+00 6.610523701e+00 9.028323409e+00 2.08 1.188513425e+00 5.930014767e+00 8.252748113e+00 2.10 7.883278015e-01 5.288485608e+00 7.511755485e+00 2.12 4.185746612e-01 4.683636979e+00 6.807636610e+00 2.14 7.799519697e-02 4.113188020e+00 6.140379145e+00 2.16 -2.356137127e-01 3.574721507e+00 5.507665525e+00 2.18 -5.241616774e-01 3.065664051e+00 4.907090188e+00 2.20 -7.895337555e-01 2.584151870e+00 4.336262383e+00 2.22 -1.033813620e+00 2.128732758e+00 3.792808312e+00 2.24 -1.259174351e+00 1.697965294e+00 3.274373626e+00 2.26 -1.467680352e+00 1.290411510e+00 2.778836479e+00 2.28 -1.661087012e+00 9.046300277e-01 2.304724344e+00 2.30 -1.840918230e+00 5.392869607e-01 1.851122742e+00 2.32 -2.007556717e+00 1.937653346e-01 1.419466943e+00 2.34 -2.160947493e+00 -1.322929846e-01 1.012085991e+00 2.36 -2.301036343e+00 -4.392412447e-01 6.313195970e-01 2.38 -2.428130413e+00 -7.276658131e-01 2.785187724e-01 2.40 -2.543385041e+00 -9.987238848e-01 -4.769502044e-02 2.42 -2.648090155e+00 -1.251891481e+00 -3.492019667e-01 2.44 -2.743535278e+00 -1.485869700e+00 -6.278778235e-01 2.46 -2.830681474e+00 -1.699344069e+00 -8.855935680e-01 2.48 -2.908769714e+00 -1.891253653e+00 -1.124215022e+00 2.50 -2.976479779e+00 -2.062445186e+00 -1.345602324e+00 2.52 -3.032435939e+00 -2.214597056e+00 -1.551460149e+00 2.54 -3.075389443e+00 -2.349237752e+00 -1.742869654e+00 2.56 -3.105739379e+00 -2.467831406e+00 -1.920732010e+00 2.58 -3.124582157e+00 -2.571841107e+00 -2.085944528e+00 2.60 -3.133047176e+00 -2.662728795e+00 -2.239403475e+00 2.62 -3.132262606e+00 -2.741951507e+00 -2.382010574e+00 2.64 -3.123349998e+00 -2.810745833e+00 -2.514709437e+00 2.66 -3.107215752e+00 -2.870003993e+00 -2.637772257e+00 2.68 -3.084476600e+00 -2.920586958e+00 -2.750174060e+00 2.70 -3.055553385e+00 -2.963354146e+00 -2.850740097e+00 2.72 -3.020530503e+00 -2.999163123e+00 -2.938294075e+00 2.74 -2.979568353e+00 -3.028869274e+00 -3.011849189e+00 2.76 -2.933200670e+00 -3.053325434e+00 -3.071832436e+00 2.78 -2.882037481e+00 -3.073381476e+00 -3.119304234e+00 2.80 -2.826688144e+00 -3.089876185e+00 -3.155325644e+00 2.82 -2.767760754e+00 -3.103058501e+00 -3.180955080e+00 2.84 -2.705861421e+00 -3.111971396e+00 -3.197248010e+00 2.86 -2.641593430e+00 -3.115488621e+00 -3.205256613e+00 2.88 -2.575556268e+00 -3.112481326e+00 -3.206029404e+00 2.90 -2.508329128e+00 -3.101913037e+00 -3.200594775e+00 2.92 -2.440309804e+00 -3.083780029e+00 -3.189628988e+00 2.94 -2.371762835e+00 -3.058796612e+00 -3.173481810e+00 2.96 -2.302940270e+00 -3.027693545e+00 -3.152491355e+00 2.98 -2.234083810e+00 -2.991198053e+00 -3.126996084e+00 3.00 -2.165423340e+00 -2.950033797e+00 -3.097334716e+00 3.02 -2.097175503e+00 -2.904912722e+00 -3.063846115e+00 3.04 -2.029542380e+00 -2.856474014e+00 -3.026869142e+00 3.06 -1.962710294e+00 -2.805318358e+00 -2.986742490e+00 3.08 -1.896848800e+00 -2.752000848e+00 -2.943804462e+00 3.10 -1.832109821e+00 -2.696819944e+00 -2.898392726e+00 3.12 -1.768607440e+00 -2.639966427e+00 -2.850844012e+00 3.14 -1.706305876e+00 -2.581630228e+00 -2.801493759e+00 3.16 -1.645095629e+00 -2.522000690e+00 -2.750675710e+00 3.18 -1.584882473e+00 -2.461266151e+00 -2.698721442e+00 3.20 -1.525678322e+00 -2.399613433e+00 -2.645959838e+00 3.22 -1.467513073e+00 -2.337227243e+00 -2.592716496e+00 3.24 -1.410409100e+00 -2.274289460e+00 -2.539286314e+00 3.26 -1.354379953e+00 -2.210978317e+00 -2.485626673e+00 3.28 -1.299428844e+00 -2.147467459e+00 -2.431427447e+00 3.30 -1.245546913e+00 -2.083924883e+00 -2.376364455e+00 3.32 -1.192711141e+00 -2.020511768e+00 -2.320108338e+00 3.34 -1.140882115e+00 -1.957381202e+00 -2.262329651e+00 3.36 -1.090049383e+00 -1.894676844e+00 -2.202931205e+00 3.38 -1.040301535e+00 -1.832531564e+00 -2.142207332e+00 3.40 -9.917407857e-01 -1.771066116e+00 -2.080489755e+00 3.42 -9.444671059e-01 -1.710387926e+00 -2.018101996e+00 3.44 -8.985766040e-01 -1.650590068e+00 -1.955358964e+00 3.46 -8.541593998e-01 -1.591750494e+00 -1.892566613e+00 3.48 -8.112973647e-01 -1.533929325e+00 -1.830018325e+00 3.50 -7.700612518e-01 -1.477123245e+00 -1.767926553e+00 3.52 -7.305082275e-01 -1.421267234e+00 -1.706425215e+00 3.54 -6.926793227e-01 -1.366279592e+00 -1.645636114e+00 3.56 -6.565940384e-01 -1.312119370e+00 -1.585678123e+00 3.58 -6.222417512e-01 -1.258832783e+00 -1.526613990e+00 3.60 -5.895902988e-01 -1.206478606e+00 -1.468490904e+00 3.62 -5.585889797e-01 -1.155117607e+00 -1.411358157e+00 3.64 -5.291701108e-01 -1.104812646e+00 -1.355267187e+00 3.66 -5.012550988e-01 -1.055628741e+00 -1.300271587e+00 3.68 -4.748075156e-01 -1.007633050e+00 -1.246427013e+00 3.70 -4.498831650e-01 -9.608948617e-01 -1.193791062e+00 3.72 -4.265649453e-01 -9.154854389e-01 -1.142422939e+00 3.74 -4.048986028e-01 -8.714777196e-01 -1.092383033e+00 3.76 -3.848078212e-01 -8.289458853e-01 -1.043732246e+00 3.78 -3.658277170e-01 -7.879647521e-01 -9.965310486e-01 3.80 -3.479036997e-01 -7.486087362e-01 -9.508381471e-01 3.82 -3.307871655e-01 -7.109507548e-01 -9.067090078e-01 3.84 -3.147968191e-01 -6.750603503e-01 -8.641935652e-01 3.86 -2.991816627e-01 -6.410022197e-01 -8.233337232e-01 3.88 -2.834311351e-01 -6.088334821e-01 -7.841604274e-01 3.90 -2.670932415e-01 -5.786017255e-01 -7.466901614e-01 3.92 -2.490682257e-01 -5.503481458e-01 -7.109212271e-01 3.94 -2.298730302e-01 -5.241069692e-01 -6.768299261e-01 3.96 -2.102435755e-01 -4.999731402e-01 -6.443678781e-01 3.98 -1.908678471e-01 -4.776230573e-01 -6.134567681e-01 4.00 -1.722968898e-01 -4.567773087e-01 -5.839872377e-01 4.02 -1.549726715e-01 -4.371845728e-01 -5.558195256e-01 4.04 -1.394630589e-01 -4.185862521e-01 -5.287755531e-01 4.06 -1.261085164e-01 -4.006432129e-01 -5.026500014e-01 4.08 -1.155114028e-01 -3.829667995e-01 -4.772017528e-01 4.10 -1.070808923e-01 -3.652955268e-01 -4.521680575e-01 4.12 -9.883087776e-02 -3.475165219e-01 -4.274824876e-01 4.14 -9.079902338e-02 -3.295730032e-01 -4.031511281e-01 4.16 -8.301734891e-02 -3.117069741e-01 -3.792092074e-01 4.18 -7.551223419e-02 -2.944466576e-01 -3.557115192e-01 4.20 -6.830514173e-02 -2.782746717e-01 -3.325586964e-01 4.22 -6.141326930e-02 -2.634678202e-01 -3.095198740e-01 4.24 -5.485013748e-02 -2.490275004e-01 -2.870846065e-01 4.26 -4.862611684e-02 -2.336613342e-01 -2.660150312e-01 4.28 -4.274889940e-02 -2.166502118e-01 -2.469942709e-01 4.30 -3.722391848e-02 -1.977227783e-01 -2.298741110e-01 4.32 -3.205472118e-02 -1.769034560e-01 -2.125142788e-01 4.34 -2.724329716e-02 -1.546334117e-01 -1.935636848e-01 4.36 -2.279036749e-02 -1.319567893e-01 -1.724434794e-01 4.38 -1.869563706e-02 -1.098299067e-01 -1.493344500e-01 4.40 -1.495801355e-02 -8.895330172e-02 -1.251748708e-01 4.42 -1.157579633e-02 -6.978023955e-02 -1.008302023e-01 4.44 -8.546837991e-03 -5.258155521e-02 -7.755614266e-02 4.46 -5.868681134e-03 -3.749803283e-02 -5.626106165e-02 4.48 -3.538673170e-03 -2.458260555e-02 -3.749842091e-02 4.50 -1.554061269e-03 -1.383495649e-02 -2.157980919e-02 4.52 8.793023567e-05 -5.233365736e-03 -8.670253714e-03 4.54 1.390037974e-03 1.221902434e-03 1.110084408e-03 4.56 2.354911309e-03 5.303021187e-03 7.346444973e-03 4.58 2.986790704e-03 7.175154244e-03 1.025273647e-02 4.60 3.316332284e-03 8.219333977e-03 1.191407978e-02 4.62 3.394950041e-03 8.570618918e-03 1.252771852e-02 4.64 3.274447719e-03 8.367166526e-03 1.229807745e-02 4.66 3.006448863e-03 7.748041109e-03 1.143273698e-02 4.68 2.642398415e-03 6.852677653e-03 1.014104718e-02 4.70 2.233568420e-03 5.820486518e-03 8.633085165e-03 4.72 1.831059562e-03 4.790555305e-03 7.118868782e-03 4.74 1.474071626e-03 3.870156989e-03 5.760870998e-03 4.76 1.166104609e-03 3.071145280e-03 4.578439520e-03 4.78 9.038308601e-04 2.386863358e-03 3.563045961e-03 4.80 6.838121379e-04 1.810016702e-03 2.705027702e-03 4.82 5.025144423e-04 1.332706576e-03 1.993606176e-03 4.84 3.563225558e-04 9.464865031e-04 1.416965619e-03 4.86 2.415539554e-04 6.424329368e-04 9.623712026e-04 4.88 1.544718272e-04 4.112229053e-04 6.163091897e-04 4.90 9.129696450e-05 2.432127910e-04 3.646351202e-04 4.92 4.821837765e-05 1.285136728e-04 1.927190482e-04 4.94 2.140248549e-05 5.705975260e-05 8.557947585e-05 4.96 7.000793082e-06 1.866733184e-05 2.799991061e-05 4.98 1.155990787e-06 3.082602563e-06 4.623874193e-06 5.00 6.433573906e-09 1.715619587e-08 2.573429291e-08 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 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0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00