# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1996--Cai-J-Ye-Y-Y--Al-Cu # implementation = EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 # composition = Al2Cu # 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 2024-11-27 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 1.694992786e+02 1.14 1.561427570e+02 1.16 1.438625238e+02 1.18 1.325710801e+02 1.20 1.221700718e+02 1.22 1.125934142e+02 1.24 1.037621533e+02 1.26 9.561713563e+01 1.28 8.811002082e+01 1.30 8.117176031e+01 1.32 7.476319406e+01 1.34 6.884859226e+01 1.36 6.337477059e+01 1.38 5.831472146e+01 1.40 5.363345063e+01 1.42 4.930592349e+01 1.44 4.529715728e+01 1.46 4.158658575e+01 1.48 3.815089326e+01 1.50 3.496928874e+01 1.52 3.202942428e+01 1.54 2.929863090e+01 1.56 2.677027731e+01 1.58 2.442619300e+01 1.60 2.225433909e+01 1.62 2.024254824e+01 1.64 1.838233161e+01 1.66 1.665401587e+01 1.68 1.505306003e+01 1.70 1.356968904e+01 1.72 1.219568389e+01 1.74 1.092316752e+01 1.76 9.745414363e+00 1.78 8.656799542e+00 1.80 7.646795651e+00 1.82 6.712299775e+00 1.84 5.848714470e+00 1.86 5.049435165e+00 1.88 4.310754477e+00 1.90 3.628399758e+00 1.92 2.998406886e+00 1.94 2.417826844e+00 1.96 1.886726989e+00 1.98 1.392066640e+00 2.00 9.366410592e-01 2.02 5.177000594e-01 2.04 1.326875629e-01 2.06 -2.203989764e-01 2.08 -5.445689920e-01 2.10 -8.414451267e-01 2.12 -1.112940847e+00 2.14 -1.360836800e+00 2.16 -1.586790308e+00 2.18 -1.792344152e+00 2.20 -1.978935490e+00 2.22 -2.147903151e+00 2.24 -2.297281311e+00 2.26 -2.435003143e+00 2.28 -2.558553897e+00 2.30 -2.668943494e+00 2.32 -2.767120502e+00 2.34 -2.853957053e+00 2.36 -2.930281686e+00 2.38 -2.996088388e+00 2.40 -3.053705867e+00 2.42 -3.102949142e+00 2.44 -3.144409544e+00 2.46 -3.178686917e+00 2.48 -3.206341397e+00 2.50 -3.227810131e+00 2.52 -3.243600183e+00 2.54 -3.254212034e+00 2.56 -3.259968004e+00 2.58 -3.261161175e+00 2.60 -3.257616541e+00 2.62 -3.251144141e+00 2.64 -3.241377320e+00 2.66 -3.223489759e+00 2.68 -3.203622501e+00 2.70 -3.181463364e+00 2.72 -3.158839002e+00 2.74 -3.137043607e+00 2.76 -3.116933316e+00 2.78 -3.099313568e+00 2.80 -3.086205061e+00 2.82 -3.074282752e+00 2.84 -3.060207985e+00 2.86 -3.041725111e+00 2.88 -3.016760983e+00 2.90 -2.984090523e+00 2.92 -2.944477781e+00 2.94 -2.898140783e+00 2.96 -2.845685816e+00 2.98 -2.787797372e+00 3.00 -2.725196881e+00 3.02 -2.658406300e+00 3.04 -2.588746314e+00 3.06 -2.517708372e+00 3.08 -2.445601547e+00 3.10 -2.372705134e+00 3.12 -2.299275769e+00 3.14 -2.225550034e+00 3.16 -2.151746317e+00 3.18 -2.078066159e+00 3.20 -2.004695234e+00 3.22 -1.931804113e+00 3.24 -1.859548876e+00 3.26 -1.788071648e+00 3.28 -1.717501100e+00 3.30 -1.647950756e+00 3.32 -1.579412542e+00 3.34 -1.512125506e+00 3.36 -1.445880125e+00 3.38 -1.382003229e+00 3.40 -1.320091400e+00 3.42 -1.260263331e+00 3.44 -1.202594997e+00 3.46 -1.147127746e+00 3.48 -1.093875042e+00 3.50 -1.039918249e+00 3.52 -9.912600741e-01 3.54 -9.447271260e-01 3.56 -9.002694991e-01 3.58 -8.578294231e-01 3.60 -8.173434152e-01 3.62 -7.787440429e-01 3.64 -7.419613578e-01 3.66 -7.069240571e-01 3.68 -6.735604160e-01 3.70 -6.417990314e-01 3.72 -6.115694074e-01 3.74 -5.828024102e-01 3.76 -5.554306157e-01 3.78 -5.293885680e-01 3.80 -5.046129651e-01 3.82 -4.810427856e-01 3.84 -4.586193666e-01 3.86 -4.372864433e-01 3.88 -4.169901572e-01 3.90 -3.976790396e-01 3.92 -3.793039757e-01 3.94 -3.618181543e-01 3.96 -3.451770056e-01 3.98 -3.293381309e-01 4.00 -3.142612267e-01 4.02 -2.999080049e-01 4.04 -2.862421107e-01 4.06 -2.732290391e-01 4.08 -2.608360526e-01 4.10 -2.481424320e-01 4.12 -2.369663124e-01 4.14 -2.263165911e-01 4.16 -2.161672052e-01 4.18 -2.064934359e-01 4.20 -1.972718398e-01 4.22 -1.884801835e-01 4.24 -1.800973807e-01 4.26 -1.721034326e-01 4.28 -1.644793699e-01 4.30 -1.572071987e-01 4.32 -1.502698488e-01 4.34 -1.436511241e-01 4.36 -1.373356560e-01 4.38 -1.313088595e-01 4.40 -1.255568908e-01 4.42 -1.200666078e-01 4.44 -1.148255330e-01 4.46 -1.098218172e-01 4.48 -1.050442069e-01 4.50 -1.004820120e-01 4.52 -9.612507598e-02 4.54 -9.196374790e-02 4.56 -8.798885544e-02 4.58 -8.419167979e-02 4.60 -8.056393183e-02 4.62 -7.709772963e-02 4.64 -7.378557721e-02 4.66 -7.062034446e-02 4.68 -6.759524823e-02 4.70 -6.470383435e-02 4.72 -6.193996076e-02 4.74 -5.929778146e-02 4.76 -5.677173145e-02 4.78 -5.435651236e-02 4.80 -5.204707897e-02 4.82 -4.983862642e-02 4.84 -4.772657808e-02 4.86 -4.570657411e-02 4.88 -4.377446064e-02 4.90 -4.192627949e-02 4.92 -4.015825845e-02 4.94 -3.846680207e-02 4.96 -3.684848299e-02 4.98 -3.530003359e-02 5.00 -3.381833828e-02 5.02 -3.240042595e-02 5.04 -3.104346302e-02 5.06 -2.974474676e-02 5.08 -2.850169890e-02 5.10 -2.731185969e-02 5.12 -2.617288216e-02 5.14 -2.508252673e-02 5.16 -2.403865607e-02 5.18 -2.303923020e-02 5.20 -2.208230191e-02 5.22 -2.116601231e-02 5.24 -2.028858667e-02 5.26 -1.944833045e-02 5.28 -1.864362552e-02 5.30 -1.787292659e-02 5.32 -1.713475778e-02 5.34 -1.642770938e-02 5.36 -1.575043475e-02 5.38 -1.510164744e-02 5.40 -1.448011833e-02 5.42 -1.388467302e-02 5.44 -1.331418930e-02 5.46 -1.276759471e-02 5.48 -1.224386429e-02 5.50 -1.174201839e-02 5.52 -1.126112059e-02 5.54 -1.080027572e-02 5.56 -1.035862799e-02 5.58 -9.935359175e-03 5.60 -9.529686947e-03 5.62 -9.140863210e-03 5.64 -8.768172569e-03 5.66 -8.410930850e-03 5.68 -8.068483689e-03 5.70 -7.740205194e-03 5.72 -7.425496664e-03 5.74 -7.123785371e-03 5.76 -6.834523395e-03 5.78 -6.557186516e-03 5.80 -5.908938562e-03 5.82 -5.674624526e-03 5.84 -5.449681100e-03 5.86 -5.233728695e-03 5.88 -5.026403381e-03 5.90 -4.827356233e-03 5.92 -4.636252689e-03 5.94 -4.452771948e-03 5.96 -4.276606387e-03 5.98 -4.107461012e-03 6.00 -3.945052921e-03