# 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--ipr3 # 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 3.971201046e+02 nan nan 1.04 3.558271465e+02 nan nan 1.06 3.191939588e+02 nan nan 1.08 2.866746358e+02 nan nan 1.10 2.577726828e+02 4.191335146e+02 nan 1.12 2.320510863e+02 nan nan 1.14 2.091335424e+02 3.422089215e+02 3.993105701e+02 1.16 1.886930000e+02 3.096460104e+02 3.615149668e+02 1.18 1.704418233e+02 2.804692182e+02 3.276167921e+02 1.20 1.541248812e+02 2.543191762e+02 2.972209934e+02 1.22 1.395145388e+02 2.308586798e+02 2.699559683e+02 1.24 1.264105312e+02 2.097800797e+02 2.454761125e+02 1.26 1.146410329e+02 1.908171038e+02 2.234723344e+02 1.28 1.040569300e+02 1.737387819e+02 2.036708138e+02 1.30 9.452612546e+01 1.583375283e+02 1.858267716e+02 1.32 8.593322374e+01 1.444265809e+02 1.697215000e+02 1.34 7.817860381e+01 1.318424210e+02 1.551632243e+02 1.36 7.117402717e+01 1.204453554e+02 1.419843381e+02 1.38 6.483985389e+01 1.101143734e+02 1.300347778e+02 1.40 5.910653759e+01 1.007410843e+02 1.191799534e+02 1.42 5.391555128e+01 9.222700894e+01 1.093031794e+02 1.44 4.921654091e+01 8.448326940e+01 1.003064730e+02 1.46 4.493695212e+01 7.743104276e+01 9.210589352e+01 1.48 4.072845832e+01 7.100216520e+01 8.462499598e+01 1.50 3.660776789e+01 6.513912185e+01 7.779295502e+01 1.52 3.269022206e+01 5.979325891e+01 7.154571901e+01 1.54 2.906134977e+01 5.492077745e+01 6.582722959e+01 1.56 2.575915519e+01 5.047938257e+01 6.058930599e+01 1.58 2.275919443e+01 4.642826402e+01 5.578968482e+01 1.60 2.003252844e+01 4.262510791e+01 5.139048463e+01 1.62 1.755256507e+01 3.882854744e+01 4.735746052e+01 1.64 1.529584016e+01 3.512860952e+01 4.358123936e+01 1.66 1.324263627e+01 3.160786604e+01 3.980242488e+01 1.68 1.137655030e+01 2.832819214e+01 3.610140761e+01 1.70 9.683475034e+00 2.531722950e+01 3.256622738e+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 -1.556032043e-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 -3.719335178e+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 -3.439236071e+00 2.82 -2.534229158e+00 -3.208366302e+00 -3.395265111e+00 2.84 -2.478359559e+00 -3.157044636e+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 -2.137420514e+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 -9.617840370e-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 -8.483857749e-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 -2.535695307e-01 -5.804567234e-01 -7.351009248e-01 3.98 -2.393764113e-01 -5.552164804e-01 -7.056488001e-01 4.00 -2.258253096e-01 -5.308266716e-01 -6.770951668e-01 4.02 -2.129028159e-01 -5.072698619e-01 -6.494308586e-01 4.04 -2.005981878e-01 -4.845282215e-01 -6.226453542e-01 4.06 -1.889030467e-01 -4.625836771e-01 -5.967268675e-01 4.08 -1.778106319e-01 -4.414180837e-01 -5.716624320e-01 4.10 -1.673147882e-01 -4.210133918e-01 -5.474379970e-01 4.12 -1.574083671e-01 -4.013518427e-01 -5.240385097e-01 4.14 -1.480813937e-01 -3.824161573e-01 -5.014480110e-01 4.16 -1.393187232e-01 -3.641897438e-01 -4.796497151e-01 4.18 -1.310991643e-01 -3.466569103e-01 -4.586261027e-01 4.20 -1.233949326e-01 -3.298030503e-01 -4.383590015e-01 4.22 -1.161697016e-01 -3.136148247e-01 -4.188296679e-01 4.24 -1.093817381e-01 -2.980802943e-01 -4.000188717e-01 4.26 -1.029844274e-01 -2.831889427e-01 -3.819069691e-01 4.28 -9.693148124e-02 -2.689315934e-01 -3.644739792e-01 4.30 -9.118883746e-02 -2.553001650e-01 -3.476996629e-01 4.32 -8.572141383e-02 -2.422871760e-01 -3.315635822e-01 4.34 -8.048324470e-02 -2.298850008e-01 -3.160451701e-01 4.36 -7.544320338e-02 -2.180849236e-01 -3.011238057e-01 4.38 -7.058540266e-02 -2.068760097e-01 -2.867788638e-01 4.40 -6.589100860e-02 -1.962439170e-01 -2.729897689e-01 4.42 -6.137169220e-02 -1.861698263e-01 -2.597360637e-01 4.44 -5.709802422e-02 -1.766299006e-01 -2.469974656e-01 4.46 -5.307343029e-02 -1.675952046e-01 -2.347539030e-01 4.48 -4.921146341e-02 -1.590324186e-01 -2.229855586e-01 4.50 -4.545435859e-02 -1.509048028e-01 -2.116729365e-01 4.52 -4.182113597e-02 -1.431743363e-01 -2.007969084e-01 4.54 -3.824910770e-02 -1.358041998e-01 -1.903387540e-01 4.56 -3.469782904e-02 -1.287594178e-01 -1.802801648e-01 4.58 -3.117071490e-02 -1.220080339e-01 -1.706033506e-01 4.60 -2.771812447e-02 -1.155229079e-01 -1.612910799e-01 4.62 -2.453166927e-02 -1.092805838e-01 -1.523267521e-01 4.64 -2.171541069e-02 -1.032617208e-01 -1.436942047e-01 4.66 -1.929249536e-02 -9.745347435e-02 -1.353779483e-01 4.68 -1.723649333e-02 -9.184914994e-02 -1.273638775e-01 4.70 -1.549627826e-02 -8.644150641e-02 -1.196386169e-01 4.72 -1.401324234e-02 -8.121741845e-02 -1.121888226e-01 4.74 -1.273155926e-02 -7.616494505e-02 -1.050026034e-01 4.76 -1.160322069e-02 -7.127751237e-02 -9.806798261e-02 4.78 -1.058971216e-02 -6.655035865e-02 -9.137422493e-02 4.80 -9.661823878e-03 -6.197826170e-02 -8.491882081e-02 4.82 -8.798488181e-03 -5.755029379e-02 -7.870118429e-02 4.84 -7.985467953e-03 -5.326796961e-02 -7.270912686e-02 4.86 -7.214146639e-03 -4.915516863e-02 -6.692971678e-02 4.88 -6.479999029e-03 -4.523338841e-02 -6.136160194e-02 4.90 -5.781388398e-03 -4.150011527e-02 -5.600660648e-02 4.92 -5.118505607e-03 -3.792389577e-02 -5.085943905e-02 4.94 -4.492440821e-03 -3.448068408e-02 -4.594205383e-02 4.96 -3.904558543e-03 -3.115505565e-02 -4.131489256e-02 4.98 -3.356381299e-03 -2.796303410e-02 -3.700285475e-02 5.00 -2.849517156e-03 -2.490294901e-02 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-1.806577394e-05 -2.726614468e-05 5.38 4.819936373e-06 -2.556538708e-06 -3.882325134e-06 5.40 2.891285780e-06 2.328152526e-06 3.481288278e-06 5.42 1.455419819e-06 2.523352796e-06 3.783145491e-06 5.44 5.754095172e-07 1.389989163e-06 2.084774818e-06 5.46 1.535260717e-07 4.508970060e-07 6.763346025e-07 5.48 1.802960643e-08 6.036032969e-08 9.054038135e-08 5.50 8.031456684e-11 2.955264808e-10 4.432897195e-10 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 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 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