# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Fischer-F-Schmitz-G-Eich-S-M--Cu-Ni # implementation = 2019--Fischer-F--Cu-Ni--LAMMPS--ipr2 # composition = Cu3Ni # 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 2022-05-24 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 3.970349055e+02 nan nan 1.04 3.557416022e+02 nan nan 1.06 3.191081120e+02 nan nan 1.08 2.865885263e+02 nan nan 1.10 2.576863475e+02 4.190484100e+02 nan 1.12 2.319645594e+02 nan nan 1.14 2.090468553e+02 3.421232005e+02 3.992253774e+02 1.16 1.886061813e+02 3.095600376e+02 3.614294627e+02 1.18 1.703548987e+02 2.803830275e+02 3.275310109e+02 1.20 1.540378737e+02 2.542327985e+02 2.971349675e+02 1.22 1.394274686e+02 2.307721431e+02 2.698697279e+02 1.24 1.263234156e+02 2.096934092e+02 2.453896860e+02 1.26 1.145538865e+02 1.907303216e+02 2.233857482e+02 1.28 1.039697645e+02 1.736519075e+02 2.035840922e+02 1.30 9.443894976e+01 1.582505782e+02 1.857399368e+02 1.32 8.584604398e+01 1.443395689e+02 1.696345724e+02 1.34 7.809142329e+01 1.317553594e+02 1.550762222e+02 1.36 7.108684664e+01 1.203582550e+02 1.418972777e+02 1.38 6.475267336e+01 1.100272437e+02 1.299476735e+02 1.40 5.901935706e+01 1.006539335e+02 1.190928175e+02 1.42 5.382837075e+01 9.213984387e+01 1.092160220e+02 1.44 4.912936038e+01 8.439609556e+01 1.002193025e+02 1.46 4.486731821e+01 7.734386432e+01 9.201871613e+01 1.48 4.070499006e+01 7.091498498e+01 8.453781591e+01 1.50 3.660308311e+01 6.505194132e+01 7.770577450e+01 1.52 3.269006326e+01 5.970607839e+01 7.145853848e+01 1.54 2.906134977e+01 5.483359693e+01 6.574004906e+01 1.56 2.575915519e+01 5.039220204e+01 6.050212546e+01 1.58 2.275919443e+01 4.634108349e+01 5.570250429e+01 1.60 2.003252844e+01 4.257509508e+01 5.130330410e+01 1.62 1.755256507e+01 3.881185827e+01 4.727027999e+01 1.64 1.529584016e+01 3.512538859e+01 4.352630400e+01 1.66 1.324263627e+01 3.160777755e+01 3.978331428e+01 1.68 1.137655030e+01 2.832819214e+01 3.609733991e+01 1.70 9.683475034e+00 2.531722950e+01 3.256604429e+01 1.72 8.150600510e+00 2.255787435e+01 2.926340542e+01 1.74 6.765690930e+00 2.003137051e+01 2.622882637e+01 1.76 5.516872383e+00 1.772004636e+01 2.344814202e+01 1.78 4.392783703e+00 1.560679582e+01 2.090078027e+01 1.80 3.382817115e+00 1.367537780e+01 1.856676842e+01 1.82 2.477203550e+00 1.191087017e+01 1.642725140e+01 1.84 1.666896533e+00 1.029995942e+01 1.446513960e+01 1.86 9.435178299e-01 8.830803195e+00 1.266545336e+01 1.88 2.994322548e-01 7.492391180e+00 1.101494358e+01 1.90 -2.721444488e-01 6.274234174e+00 9.501943637e+00 1.92 -7.771222521e-01 5.166446035e+00 8.116515229e+00 1.94 -1.220871778e+00 4.159890358e+00 6.850424743e+00 1.96 -1.608733590e+00 3.246317682e+00 5.696678531e+00 1.98 -1.946116107e+00 2.418447375e+00 4.648676199e+00 2.00 -2.238353621e+00 1.669870402e+00 3.699459661e+00 2.02 -2.490472606e+00 9.948535292e-01 2.841576912e+00 2.04 -2.707011372e+00 3.880736705e-01 2.067444679e+00 2.06 -2.892011769e+00 -1.556032044e-01 1.369796153e+00 2.08 -3.049132267e+00 -6.412023757e-01 7.419810927e-01 2.10 -3.181777077e+00 -1.073602423e+00 1.780989241e-01 2.12 -3.293105466e+00 -1.457550541e+00 -3.271530488e-01 2.14 -3.385985376e+00 -1.797572508e+00 -7.787008537e-01 2.16 -3.462909241e+00 -2.097803912e+00 -1.181110324e+00 2.18 -3.525897968e+00 -2.361982445e+00 -1.538724520e+00 2.20 -3.576551913e+00 -2.593438839e+00 -1.855713643e+00 2.22 -3.616143768e+00 -2.795117415e+00 -2.136032335e+00 2.24 -3.645659604e+00 -2.969728922e+00 -2.383358553e+00 2.26 -3.665867124e+00 -3.119858481e+00 -2.601018525e+00 2.28 -3.677387867e+00 -3.247978840e+00 -2.791889170e+00 2.30 -3.680723794e+00 -3.356432149e+00 -2.958389216e+00 2.32 -3.676412877e+00 -3.447411233e+00 -3.102607130e+00 2.34 -3.665059786e+00 -3.522917508e+00 -3.226472878e+00 2.36 -3.647284292e+00 -3.584704379e+00 -3.331910941e+00 2.38 -3.623709435e+00 -3.634241839e+00 -3.420890668e+00 2.40 -3.594960741e+00 -3.672799258e+00 -3.495368205e+00 2.42 -3.561631414e+00 -3.701515723e+00 -3.557173297e+00 2.44 -3.524276776e+00 -3.721429120e+00 -3.607893835e+00 2.46 -3.483433394e+00 -3.733489961e+00 -3.648833046e+00 2.48 -3.439610417e+00 -3.738549227e+00 -3.681053586e+00 2.50 -3.393284810e+00 -3.737340996e+00 -3.705425512e+00 2.52 -3.344900512e+00 -3.730515578e+00 -3.722686364e+00 2.54 -3.294856376e+00 -3.718628130e+00 -3.733450084e+00 2.56 -3.243495590e+00 -3.702148410e+00 -3.738187590e+00 2.58 -3.191102563e+00 -3.681471769e+00 -3.737221881e+00 2.60 -3.137908399e+00 -3.656963666e+00 -3.730841591e+00 2.62 -3.084097476e+00 -3.628973285e+00 -3.719335179e+00 2.64 -3.029812298e+00 -3.597824490e+00 -3.702993941e+00 2.66 -2.975182316e+00 -3.563791011e+00 -3.682118185e+00 2.68 -2.920335524e+00 -3.527075508e+00 -3.657040535e+00 2.70 -2.865381067e+00 -3.487815503e+00 -3.628122781e+00 2.72 -2.810389867e+00 -3.446122475e+00 -3.595742665e+00 2.74 -2.755382305e+00 -3.402137735e+00 -3.560283687e+00 2.76 -2.700328751e+00 -3.356070498e+00 -3.522127700e+00 2.78 -2.645164661e+00 -3.308199163e+00 -3.481651657e+00 2.80 -2.589817877e+00 -3.258851891e+00 -3.439236070e+00 2.82 -2.534229158e+00 -3.208366302e+00 -3.395265111e+00 2.84 -2.478359559e+00 -3.157044637e+00 -3.350116273e+00 2.86 -2.422189757e+00 -3.105119534e+00 -3.304144821e+00 2.88 -2.365717752e+00 -3.052742111e+00 -3.257662428e+00 2.90 -2.308959477e+00 -2.999998378e+00 -3.210910652e+00 2.92 -2.251951323e+00 -2.946943972e+00 -3.164032738e+00 2.94 -2.194748812e+00 -2.893626940e+00 -3.117051124e+00 2.96 -2.137420513e+00 -2.840090930e+00 -3.069868433e+00 2.98 -2.080046653e+00 -2.786377089e+00 -3.022312454e+00 3.00 -2.022722436e+00 -2.732525529e+00 -2.974185256e+00 3.02 -1.965550055e+00 -2.678576029e+00 -2.925311590e+00 3.04 -1.908628471e+00 -2.624567670e+00 -2.875579807e+00 3.06 -1.852047924e+00 -2.570537150e+00 -2.824959764e+00 3.08 -1.795887666e+00 -2.516515773e+00 -2.773497605e+00 3.10 -1.740221011e+00 -2.462525746e+00 -2.721295194e+00 3.12 -1.685118438e+00 -2.408577146e+00 -2.668484354e+00 3.14 -1.630647164e+00 -2.354667496e+00 -2.615203448e+00 3.16 -1.576870645e+00 -2.300785627e+00 -2.561579420e+00 3.18 -1.523848171e+00 -2.246919982e+00 -2.507715142e+00 3.20 -1.471634504e+00 -2.193066758e+00 -2.453682339e+00 3.22 -1.420279601e+00 -2.139234745e+00 -2.399535299e+00 3.24 -1.369828376e+00 -2.085450313e+00 -2.345327368e+00 3.26 -1.320320755e+00 -2.031758573e+00 -2.291112266e+00 3.28 -1.271792614e+00 -1.978220516e+00 -2.236943940e+00 3.30 -1.224276243e+00 -1.924907855e+00 -2.182876401e+00 3.32 -1.177800349e+00 -1.871897318e+00 -2.128963582e+00 3.34 -1.132390055e+00 -1.819265497e+00 -2.075259202e+00 3.36 -1.088066933e+00 -1.767084635e+00 -2.021816669e+00 3.38 -1.044849044e+00 -1.715419185e+00 -1.968689009e+00 3.40 -1.002750999e+00 -1.664324502e+00 -1.915928848e+00 3.42 -9.617840369e-01 -1.613850846e+00 -1.863588418e+00 3.44 -9.219561124e-01 -1.564045262e+00 -1.811719579e+00 3.46 -8.832719999e-01 -1.514951379e+00 -1.760373745e+00 3.48 -8.457334080e-01 -1.466609198e+00 -1.709601679e+00 3.50 -8.093391023e-01 -1.419054925e+00 -1.659453191e+00 3.52 -7.740850387e-01 -1.372320844e+00 -1.609976598e+00 3.54 -7.399645038e-01 -1.326435280e+00 -1.561217844e+00 3.56 -7.069682608e-01 -1.281423158e+00 -1.513219227e+00 3.58 -6.750847023e-01 -1.237306607e+00 -1.466017834e+00 3.60 -6.443000068e-01 -1.194105035e+00 -1.419643928e+00 3.62 -6.145982981e-01 -1.151835169e+00 -1.374119732e+00 3.64 -5.859618123e-01 -1.110511094e+00 -1.329459203e+00 3.66 -5.583710577e-01 -1.070144320e+00 -1.285669595e+00 3.68 -5.318049909e-01 -1.030743846e+00 -1.242753713e+00 3.70 -5.062411839e-01 -9.923162393e-01 -1.200711314e+00 3.72 -4.816560002e-01 -9.548657238e-01 -1.159541111e+00 3.74 -4.580247764e-01 -9.183942700e-01 -1.119242986e+00 3.76 -4.353220036e-01 -8.829016968e-01 -1.079819298e+00 3.78 -4.135215207e-01 -8.483857748e-01 -1.041275162e+00 3.80 -3.925967207e-01 -8.148423367e-01 -1.003617942e+00 3.82 -3.725207582e-01 -7.822653894e-01 -9.668562549e-01 3.84 -3.532667873e-01 -7.506472309e-01 -9.309988128e-01 3.86 -3.348082136e-01 -7.199785700e-01 -8.960532920e-01 3.88 -3.171189588e-01 -6.902486463e-01 -8.620253417e-01 3.90 -3.001737771e-01 -6.614453553e-01 -8.289177471e-01 3.92 -2.839485725e-01 -6.335553739e-01 -7.967300102e-01 3.94 -2.684207377e-01 -6.065642873e-01 -7.654592634e-01 3.96 -2.535695308e-01 -5.804567234e-01 -7.351009248e-01 3.98 -2.393764111e-01 -5.552164804e-01 -7.056488001e-01 4.00 -2.258253093e-01 -5.308266716e-01 -6.770951668e-01 4.02 -2.129028171e-01 -5.072698619e-01 -6.494308586e-01 4.04 -2.005981883e-01 -4.845282215e-01 -6.226453542e-01 4.06 -1.889030377e-01 -4.625836771e-01 -5.967268675e-01 4.08 -1.778106427e-01 -4.414180837e-01 -5.716624320e-01 4.10 -1.673148073e-01 -4.210133918e-01 -5.474379970e-01 4.12 -1.574083513e-01 -4.013518427e-01 -5.240385097e-01 4.14 -1.480812745e-01 -3.824161573e-01 -5.014480110e-01 4.16 -1.393187990e-01 -3.641897438e-01 -4.796497151e-01 4.18 -1.310995702e-01 -3.466569103e-01 -4.586261027e-01 4.20 -1.233948569e-01 -3.298030503e-01 -4.383590015e-01 4.22 -1.161689515e-01 -3.136148247e-01 -4.188296679e-01 4.24 -1.093804712e-01 -2.980802943e-01 -4.000188716e-01 4.26 -1.029849891e-01 -2.831889427e-01 -3.819069691e-01 4.28 -9.693730363e-02 -2.689315933e-01 -3.644739792e-01 4.30 -9.119269947e-02 -2.553001652e-01 -3.476996629e-01 4.32 -8.571208951e-02 -2.422871757e-01 -3.315635822e-01 4.34 -8.046713941e-02 -2.298850008e-01 -3.160451701e-01 4.36 -7.543422109e-02 -2.180849251e-01 -3.011238057e-01 4.38 -7.059496531e-02 -2.068760094e-01 -2.867788638e-01 4.40 -6.594054777e-02 -1.962439081e-01 -2.729897688e-01 4.42 -6.145790988e-02 -1.861698376e-01 -2.597360638e-01 4.44 -5.713478576e-02 -1.766299201e-01 -2.469974657e-01 4.46 -5.297275923e-02 -1.675951959e-01 -2.347539025e-01 4.48 -4.898312062e-02 -1.590323145e-01 -2.229855589e-01 4.50 -4.518159272e-02 -1.509047541e-01 -2.116729382e-01 4.52 -4.159082526e-02 -1.431746567e-01 -2.007969077e-01 4.54 -3.822570675e-02 -1.358045060e-01 -1.903387450e-01 4.56 -3.510016047e-02 -1.287591634e-01 -1.802801736e-01 4.58 -3.222126405e-02 -1.220072573e-01 -1.706033711e-01 4.60 -2.958153097e-02 -1.155216518e-01 -1.612910799e-01 4.62 -2.721738755e-02 -1.092799427e-01 -1.523266684e-01 4.64 -2.513819558e-02 -1.032643417e-01 -1.436941133e-01 4.66 -2.332715056e-02 -9.745973507e-02 -1.353782086e-01 4.68 -2.175200454e-02 -9.185402135e-02 -1.273642275e-01 4.70 -2.037393982e-02 -8.643759353e-02 -1.196383955e-01 4.72 -1.915399117e-02 -8.120409377e-02 -1.121880207e-01 4.74 -1.805705247e-02 -7.614897409e-02 -1.050013348e-01 4.76 -1.705390001e-02 -7.126595259e-02 -9.806803139e-02 4.78 -1.612180064e-02 -6.654872670e-02 -9.137901040e-02 4.80 -1.524422902e-02 -6.199246814e-02 -8.492490553e-02 4.82 -1.441000112e-02 -5.759331533e-02 -7.869810750e-02 4.84 -1.361236149e-02 -5.334457637e-02 -7.269480162e-02 4.86 -1.284816367e-02 -4.923960722e-02 -6.691488281e-02 4.88 -1.211669223e-02 -4.527480430e-02 -6.135597643e-02 4.90 -1.141876935e-02 -4.145136167e-02 -5.601961374e-02 4.92 -1.075596485e-02 -3.777375799e-02 -5.091052441e-02 4.94 -1.012990963e-02 -3.424850575e-02 -4.602757246e-02 4.96 -9.542036752e-03 -3.088463282e-02 -4.136987766e-02 4.98 -8.993868756e-03 -2.769524610e-02 -3.694482210e-02 5.00 -8.487013579e-03 -2.469320328e-02 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