# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr2 # composition = Co3Cr # 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 -4.813350445e+02 nan nan 0.92 -4.495222186e+02 nan nan 0.94 -4.208187698e+02 nan nan 0.96 -3.947187880e+02 nan nan 0.98 -3.704092176e+02 nan nan 1.00 -3.474660510e+02 nan nan 1.02 -3.258101584e+02 -4.283729049e+02 -4.676404277e+02 1.04 -3.053736338e+02 -4.046127075e+02 -4.416731622e+02 1.06 -2.862433787e+02 -3.822457817e+02 -4.173032762e+02 1.08 -2.685493718e+02 -3.614022746e+02 -3.936664912e+02 1.10 -2.521294058e+02 -3.416082264e+02 -3.707556511e+02 1.12 -2.367827334e+02 -3.222401760e+02 -3.488666226e+02 1.14 -2.226351397e+02 -3.032282932e+02 -3.283698066e+02 1.16 -2.097929048e+02 -2.847454587e+02 -3.094009673e+02 1.18 -1.981163620e+02 -2.672485244e+02 -2.919748238e+02 1.20 -1.871666466e+02 -2.513261492e+02 -2.762650790e+02 1.22 -1.765402109e+02 -2.370642790e+02 -2.622717410e+02 1.24 -1.660612955e+02 -2.240757863e+02 -2.495077181e+02 1.26 -1.557256954e+02 -2.120875147e+02 -2.373871398e+02 1.28 -1.456823088e+02 -2.011052974e+02 -2.255258860e+02 1.30 -1.360210192e+02 -1.909779169e+02 -2.139015914e+02 1.32 -1.266733511e+02 -1.813839950e+02 -2.025904591e+02 1.34 -1.176344045e+02 -1.720480118e+02 -1.916162651e+02 1.36 -1.089773837e+02 -1.630050291e+02 -1.810845058e+02 1.38 -1.006870116e+02 -1.544462128e+02 -1.710773980e+02 1.40 -9.268565089e+01 -1.463847100e+02 -1.615515955e+02 1.42 -8.498068680e+01 -1.385820159e+02 -1.524494041e+02 1.44 -7.769602774e+01 -1.308025652e+02 -1.438758786e+02 1.46 -7.081217141e+01 -1.229208360e+02 -1.359389278e+02 1.48 -6.412600655e+01 -1.149416894e+02 -1.285559286e+02 1.50 -5.741909774e+01 -1.069744804e+02 -1.214620879e+02 1.52 -5.065530722e+01 -9.914342197e+01 -1.143375836e+02 1.54 -4.398119804e+01 -9.151412061e+01 -1.070526438e+02 1.56 -3.754583241e+01 -8.402780463e+01 -9.969336316e+01 1.58 -3.138866381e+01 -7.653921251e+01 -9.239882102e+01 1.60 -2.546423076e+01 -6.893344739e+01 -8.524003144e+01 1.62 -1.972134178e+01 -6.124742782e+01 -7.818506901e+01 1.64 -1.417567634e+01 -5.367478269e+01 -7.119879790e+01 1.66 -9.332929505e+00 -4.643604021e+01 -6.431127341e+01 1.68 -5.858582140e+00 -3.964635345e+01 -5.755325675e+01 1.70 -3.428744922e+00 -3.331318605e+01 -5.095503726e+01 1.72 -1.925602422e+00 -2.744009969e+01 -4.454103516e+01 1.74 -1.099078807e+00 -2.205217131e+01 -3.834334566e+01 1.76 -7.205882271e-01 -1.715952925e+01 -3.242354188e+01 1.78 -6.317370384e-01 -1.271225752e+01 -2.682525836e+01 1.80 -7.217896993e-01 -8.727961590e+00 -2.155775890e+01 1.82 -9.155457817e-01 -5.679453411e+00 -1.661190851e+01 1.84 -1.162851246e+00 -3.522975842e+00 -1.200181756e+01 1.86 -1.429551788e+00 -2.073320925e+00 -7.907871303e+00 1.88 -1.694298352e+00 -1.169312658e+00 -4.925919032e+00 1.90 -1.947503396e+00 -6.660541379e-01 -2.930159675e+00 1.92 -2.191087051e+00 -4.423206317e-01 -1.655369296e+00 1.94 -2.424003288e+00 -4.101750269e-01 -8.911427661e-01 1.96 -2.640873592e+00 -5.095859364e-01 -4.854863412e-01 1.98 -2.836175921e+00 -6.959860415e-01 -3.293976327e-01 2.00 -3.009658718e+00 -9.364312006e-01 -3.401836726e-01 2.02 -3.164610310e+00 -1.207067483e+00 -4.588331801e-01 2.04 -3.304912037e+00 -1.492001426e+00 -6.455392281e-01 2.06 -3.433012947e+00 -1.780907250e+00 -8.755967786e-01 2.08 -3.549566096e+00 -2.066578121e+00 -1.134614513e+00 2.10 -3.654801117e+00 -2.343097787e+00 -1.412616969e+00 2.12 -3.748499556e+00 -2.605519968e+00 -1.700359878e+00 2.14 -3.831181791e+00 -2.849651362e+00 -1.988091772e+00 2.16 -3.903727585e+00 -3.072163307e+00 -2.268288821e+00 2.18 -3.966678486e+00 -3.270500664e+00 -2.534362742e+00 2.20 -4.019963067e+00 -3.441890481e+00 -2.782625406e+00 2.22 -4.063506120e+00 -3.585886701e+00 -3.012117824e+00 2.24 -4.097814374e+00 -3.705860248e+00 -3.224454218e+00 2.26 -4.123143931e+00 -3.805373488e+00 -3.421710882e+00 2.28 -4.139737905e+00 -3.887288184e+00 -3.603538704e+00 2.30 -4.147658515e+00 -3.954177267e+00 -3.766549242e+00 2.32 -4.146073860e+00 -4.009001053e+00 -3.907739783e+00 2.34 -4.134758465e+00 -4.054689989e+00 -4.025398823e+00 2.36 -4.114651771e+00 -4.094121961e+00 -4.119722706e+00 2.38 -4.086568154e+00 -4.129748701e+00 -4.192758021e+00 2.40 -4.050983320e+00 -4.162785765e+00 -4.247618976e+00 2.42 -4.007971626e+00 -4.193243404e+00 -4.287719150e+00 2.44 -3.957647860e+00 -4.220181960e+00 -4.316498823e+00 2.46 -3.900322198e+00 -4.242240516e+00 -4.336836269e+00 2.48 -3.836554064e+00 -4.258133510e+00 -4.350068184e+00 2.50 -3.767291956e+00 -4.266867773e+00 -4.356581357e+00 2.52 -3.693564400e+00 -4.268173305e+00 -4.355557692e+00 2.54 -3.616291846e+00 -4.261540045e+00 -4.346034241e+00 2.56 -3.536376481e+00 -4.246484416e+00 -4.328145780e+00 2.58 -3.454508817e+00 -4.222729596e+00 -4.302675215e+00 2.60 -3.371358862e+00 -4.190457616e+00 -4.270771536e+00 2.62 -3.287596931e+00 -4.150103996e+00 -4.233633311e+00 2.64 -3.203755229e+00 -4.102310295e+00 -4.192223748e+00 2.66 -3.119959922e+00 -4.047838672e+00 -4.147506903e+00 2.68 -3.036205748e+00 -3.987384635e+00 -4.100484533e+00 2.70 -2.952220891e+00 -3.921618935e+00 -4.052093280e+00 2.72 -2.867671932e+00 -3.851218735e+00 -4.003057187e+00 2.74 -2.782306106e+00 -3.776873046e+00 -3.953744021e+00 2.76 -2.695868703e+00 -3.699343876e+00 -3.904059475e+00 2.78 -2.608143151e+00 -3.619491610e+00 -3.853439101e+00 2.80 -2.519226479e+00 -3.538281062e+00 -3.801304275e+00 2.82 -2.429568086e+00 -3.456622377e+00 -3.747141362e+00 2.84 -2.340226479e+00 -3.375220519e+00 -3.690470912e+00 2.86 -2.252384877e+00 -3.294518937e+00 -3.631023546e+00 2.88 -2.166938866e+00 -3.214587561e+00 -3.568749367e+00 2.90 -2.084550446e+00 -3.135225119e+00 -3.503762624e+00 2.92 -2.005564105e+00 -3.056362531e+00 -3.436267863e+00 2.94 -1.929982001e+00 -2.977843427e+00 -3.366436841e+00 2.96 -1.857578435e+00 -2.899295239e+00 -3.294467553e+00 2.98 -1.788073449e+00 -2.820447342e+00 -3.220633382e+00 3.00 -1.721191936e+00 -2.741265752e+00 -3.145158782e+00 3.02 -1.656709178e+00 -2.661909755e+00 -3.068289861e+00 3.04 -1.594489141e+00 -2.582667173e+00 -2.990353395e+00 3.06 -1.534471840e+00 -2.503804121e+00 -2.911708591e+00 3.08 -1.476643960e+00 -2.425474957e+00 -2.832722207e+00 3.10 -1.421045730e+00 -2.347872720e+00 -2.753615473e+00 3.12 -1.367708896e+00 -2.271223106e+00 -2.674556954e+00 3.14 -1.316622351e+00 -2.195484526e+00 -2.595598574e+00 3.16 -1.267762623e+00 -2.120605133e+00 -2.516640572e+00 3.18 -1.221137491e+00 -2.046722807e+00 -2.437581841e+00 3.20 -1.176734425e+00 -1.974092591e+00 -2.358439017e+00 3.22 -1.134533548e+00 -1.902998450e+00 -2.279379926e+00 3.24 -1.094509696e+00 -1.833710363e+00 -2.200559435e+00 3.26 -1.056595872e+00 -1.766437269e+00 -2.121823207e+00 3.28 -1.020676836e+00 -1.701295614e+00 -2.043111227e+00 3.30 -9.866220344e-01 -1.638294135e+00 -1.964532168e+00 3.32 -9.542913975e-01 -1.577337824e+00 -1.886317981e+00 3.34 -9.235358176e-01 -1.518251356e+00 -1.808772353e+00 3.36 -8.941970064e-01 -1.460843367e+00 -1.732227558e+00 3.38 -8.660992061e-01 -1.404954837e+00 -1.656974821e+00 3.40 -8.390485056e-01 -1.350499836e+00 -1.583242766e+00 3.42 -8.128429454e-01 -1.297537023e+00 -1.511266078e+00 3.44 -7.873055543e-01 -1.246189300e+00 -1.441287171e+00 3.46 -7.623267686e-01 -1.196604935e+00 -1.373549287e+00 3.48 -7.378516072e-01 -1.148929620e+00 -1.308290428e+00 3.50 -7.138342429e-01 -1.103281970e+00 -1.245738487e+00 3.52 -6.902264291e-01 -1.059737441e+00 -1.186106402e+00 3.54 -6.669776454e-01 -1.018323082e+00 -1.129588854e+00 3.56 -6.440350480e-01 -9.790205939e-01 -1.076358797e+00 3.58 -6.213434880e-01 -9.417787366e-01 -1.026564533e+00 3.60 -5.988455509e-01 -9.065299444e-01 -9.803271484e-01 3.62 -5.764815552e-01 -8.731942942e-01 -9.377378914e-01 3.64 -5.541873602e-01 -8.416795052e-01 -8.988388736e-01 3.66 -5.318886399e-01 -8.118990995e-01 -8.635800557e-01 3.68 -5.095072310e-01 -7.837661126e-01 -8.318612090e-01 3.70 -4.869636488e-01 -7.571845289e-01 -8.035281139e-01 3.72 -4.642000997e-01 -7.320498623e-01 -7.783412965e-01 3.74 -4.411854360e-01 -7.082501021e-01 -7.560083777e-01 3.76 -4.179037587e-01 -6.856662572e-01 -7.361967600e-01 3.78 -3.943917869e-01 -6.641728050e-01 -7.185417903e-01 3.80 -3.707026520e-01 -6.436383396e-01 -7.026585575e-01 3.82 -3.468924162e-01 -6.239256636e-01 -6.881575781e-01 3.84 -3.230203833e-01 -6.048921986e-01 -6.746609437e-01 3.86 -2.991513217e-01 -5.863975821e-01 -6.618280885e-01 3.88 -2.753733762e-01 -5.683625823e-01 -6.494466256e-01 3.90 -2.517844443e-01 -5.507407236e-01 -6.373939671e-01 3.92 -2.284691097e-01 -5.334856265e-01 -6.255945178e-01 3.94 -2.055142850e-01 -5.165562586e-01 -6.140310370e-01 3.96 -1.830127975e-01 -4.999224089e-01 -6.027094689e-01 3.98 -1.610630634e-01 -4.835559941e-01 -5.916368379e-01 4.00 -1.397688803e-01 -4.674304828e-01 -5.808106102e-01 4.02 -1.192390691e-01 -4.515208803e-01 -5.702112625e-01 4.04 -9.958639852e-02 -4.358038790e-01 -5.597995736e-01 4.06 -8.092625431e-02 -4.202579013e-01 -5.495164434e-01 4.08 -6.336881127e-02 -4.048633785e-01 -5.392857745e-01 4.10 -4.709767878e-02 -3.896024585e-01 -5.290180561e-01 4.12 -3.255179185e-02 -3.744594030e-01 -5.186167664e-01 4.14 -1.996678234e-02 -3.594100231e-01 -5.079908007e-01 4.16 -9.337359592e-03 -3.444156189e-01 -4.970524466e-01 4.18 -4.998688595e-04 -3.294382519e-01 -4.857142086e-01 4.20 6.783744624e-03 -3.144506275e-01 -4.739012982e-01 4.22 1.274291032e-02 -2.994749516e-01 -4.616096905e-01 4.24 1.754303180e-02 -2.845510152e-01 -4.488586798e-01 4.26 2.125332211e-02 -2.697210512e-01 -4.356679496e-01 4.28 2.388772497e-02 -2.550291053e-01 -4.220570261e-01 4.30 2.542887923e-02 -2.405210008e-01 -4.080455354e-01 4.32 2.585406412e-02 -2.262442376e-01 -3.936533051e-01 4.34 2.519518038e-02 -2.122472636e-01 -3.789000495e-01 4.36 2.357833787e-02 -1.985791813e-01 -3.638056799e-01 4.38 2.123123913e-02 -1.852891009e-01 -3.483902611e-01 4.40 1.845500109e-02 -1.724250878e-01 -3.326739162e-01 4.42 1.557386335e-02 -1.600330503e-01 -3.166769809e-01 4.44 1.289070924e-02 -1.481553517e-01 -3.004198356e-01 4.46 1.069721683e-02 -1.368291947e-01 -2.839231699e-01 4.48 9.175210775e-03 -1.260843858e-01 -2.672078693e-01 4.50 8.374184400e-03 -1.159414631e-01 -2.502950903e-01 4.52 8.234153337e-03 -1.064055717e-01 -2.332060974e-01 4.54 8.603981668e-03 -9.744095018e-02 -2.159674464e-01 4.56 9.278885113e-03 -8.899952639e-02 -1.986259437e-01 4.58 1.004442611e-02 -8.102968263e-02 -1.812341938e-01 4.60 1.070466329e-02 -7.345255339e-02 -1.638464869e-01 4.62 1.110427028e-02 -6.617181629e-02 -1.465182349e-01 4.64 1.114300544e-02 -5.908457528e-02 -1.293062208e-01 4.66 1.078261087e-02 -5.209125368e-02 -1.122687118e-01 4.68 1.005090116e-02 -4.510583405e-02 -9.546547686e-02 4.70 9.032013606e-03 -3.806588012e-02 -7.895762705e-02 4.72 7.840529220e-03 -3.094167342e-02 -6.280751047e-02 4.74 6.601333898e-03 -2.374242492e-02 -4.707906675e-02 4.76 5.425314290e-03 -1.651642305e-02 -3.183689220e-02 4.78 4.383139291e-03 -9.334236188e-03 -1.712876051e-02 4.80 3.520909027e-03 -2.282886463e-03 -2.991994948e-03 4.82 2.865881906e-03 4.528780556e-03 1.029849190e-02 4.84 2.432042355e-03 1.099901111e-02 2.234125740e-02 4.86 2.225475243e-03 1.704896117e-02 3.283259859e-02 4.88 2.247879690e-03 2.262999922e-02 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