# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co # implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr2 # composition = CoNi3 # 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 9.157173829e+03 nan nan 1.02 8.074012134e+03 nan nan 1.04 7.070709914e+03 nan nan 1.06 6.136743569e+03 nan nan 1.08 5.264455724e+03 nan nan 1.10 4.448764864e+03 8.707546175e+03 nan 1.12 3.686578710e+03 7.729912139e+03 9.218763641e+03 1.14 2.975185252e+03 6.817887436e+03 8.219682228e+03 1.16 2.311630023e+03 5.965842299e+03 7.288554884e+03 1.18 1.700863047e+03 5.168548453e+03 6.419110591e+03 1.20 1.324658512e+03 4.421489238e+03 5.606118073e+03 1.22 1.148188345e+03 3.720805848e+03 4.845641644e+03 1.24 1.056263647e+03 3.063567384e+03 4.134797561e+03 1.26 9.761327405e+02 2.447837580e+03 3.471652107e+03 1.28 8.944992247e+02 1.872318697e+03 2.854295771e+03 1.30 8.136582153e+02 1.433315969e+03 2.280682806e+03 1.32 7.353551363e+02 1.204043453e+03 1.749386713e+03 1.34 6.608354957e+02 1.085881670e+03 1.379077560e+03 1.36 5.909831116e+02 1.008143315e+03 1.179717263e+03 1.38 5.263366476e+02 9.328209502e+02 1.070959170e+03 1.40 4.671055526e+02 8.574209084e+02 9.969861513e+02 1.42 4.131659903e+02 7.836348572e+02 9.257060924e+02 1.44 3.642456332e+02 7.126706605e+02 8.541434433e+02 1.46 3.200008651e+02 6.453060427e+02 7.838373695e+02 1.48 2.800450210e+02 5.819942141e+02 7.158511577e+02 1.50 2.440511681e+02 5.230251166e+02 6.509425020e+02 1.52 2.117420241e+02 4.686068975e+02 5.896843665e+02 1.54 1.828269461e+02 4.187350559e+02 5.324542928e+02 1.56 1.569961149e+02 3.731778821e+02 4.794258792e+02 1.58 1.339646214e+02 3.316719487e+02 4.305422718e+02 1.60 1.135117580e+02 2.939328273e+02 3.855728154e+02 1.62 9.545256274e+01 2.596844327e+02 3.443173180e+02 1.64 7.960562362e+01 2.286911483e+02 3.065772890e+02 1.66 6.577979645e+01 2.007372482e+02 2.721336820e+02 1.68 5.377381734e+01 1.756040421e+02 2.407379477e+02 1.70 4.340889178e+01 1.530766557e+02 2.121276959e+02 1.72 3.454026444e+01 1.329511414e+02 1.860956012e+02 1.74 2.703098900e+01 1.150256525e+02 1.624914845e+02 1.76 2.074097381e+01 9.908607966e+01 1.411701501e+02 1.78 1.553217282e+01 8.491512273e+01 1.219795183e+02 1.80 1.126301907e+01 7.232932527e+01 1.047742537e+02 1.82 7.787701573e+00 6.119570147e+01 8.941254409e+01 1.84 4.979326441e+00 5.140117527e+01 7.575095922e+01 1.86 2.742098299e+00 4.282732807e+01 6.365509636e+01 1.88 9.936142897e-01 3.535375681e+01 5.300779251e+01 1.90 -3.478713093e-01 2.886740865e+01 4.369860111e+01 1.92 -1.359512605e+00 2.326424802e+01 3.561596529e+01 1.94 -2.109363453e+00 1.844966333e+01 2.865004339e+01 1.96 -2.656968796e+00 1.433864871e+01 2.269613304e+01 1.98 -3.055474381e+00 1.085464322e+01 1.765371919e+01 2.00 -3.352544518e+00 7.925146323e+00 1.342220575e+01 2.02 -3.586024384e+00 5.476288817e+00 9.896351497e+00 2.04 -3.779326408e+00 3.435744528e+00 6.973024772e+00 2.06 -3.943659562e+00 1.745880891e+00 4.567173533e+00 2.08 -4.082651488e+00 3.644570159e-01 2.612711454e+00 2.10 -4.197797766e+00 -7.463406760e-01 1.050171691e+00 2.12 -4.290229510e+00 -1.625871677e+00 -1.799775789e-01 2.14 -4.360317088e+00 -2.312814009e+00 -1.134678273e+00 2.16 -4.407639965e+00 -2.842282689e+00 -1.864815607e+00 2.18 -4.431058082e+00 -3.245512232e+00 -2.414700505e+00 2.20 -4.429581703e+00 -3.549712600e+00 -2.821884028e+00 2.22 -4.404961924e+00 -3.777886898e+00 -3.117263047e+00 2.24 -4.365344672e+00 -3.948614783e+00 -3.326227803e+00 2.26 -4.324565382e+00 -4.075870035e+00 -3.471973606e+00 2.28 -4.293011663e+00 -4.169040101e+00 -3.579960484e+00 2.30 -4.270377949e+00 -4.233590166e+00 -3.676727470e+00 2.32 -4.249890986e+00 -4.272926124e+00 -3.778709253e+00 2.34 -4.225837471e+00 -4.292180214e+00 -3.886040211e+00 2.36 -4.196548070e+00 -4.299201215e+00 -3.990312770e+00 2.38 -4.162459416e+00 -4.300726397e+00 -4.084138235e+00 2.40 -4.124089972e+00 -4.300951977e+00 -4.165187279e+00 2.42 -4.081896234e+00 -4.303240747e+00 -4.234056209e+00 2.44 -4.036264147e+00 -4.309171067e+00 -4.291510851e+00 2.46 -3.987483283e+00 -4.317060562e+00 -4.338253226e+00 2.48 -3.935706538e+00 -4.323249223e+00 -4.374918779e+00 2.50 -3.880896439e+00 -4.324620871e+00 -4.402069599e+00 2.52 -3.822762913e+00 -4.320136001e+00 -4.420175108e+00 2.54 -3.760717543e+00 -4.310086936e+00 -4.429583444e+00 2.56 -3.693917021e+00 -4.294839622e+00 -4.430482308e+00 2.58 -3.621556031e+00 -4.274685941e+00 -4.422854824e+00 2.60 -3.543633547e+00 -4.249854131e+00 -4.406446259e+00 2.62 -3.462134739e+00 -4.220536742e+00 -4.380778496e+00 2.64 -3.381596921e+00 -4.186908031e+00 -4.345342344e+00 2.66 -3.307397479e+00 -4.149141761e+00 -4.300192713e+00 2.68 -3.242366352e+00 -4.107432724e+00 -4.246987455e+00 2.70 -3.185336246e+00 -4.062019394e+00 -4.189759416e+00 2.72 -3.132915856e+00 -4.013202981e+00 -4.133915141e+00 2.74 -3.081917773e+00 -3.961333791e+00 -4.083311535e+00 2.76 -3.030587818e+00 -3.906788054e+00 -4.038197103e+00 2.78 -2.978456350e+00 -3.849961296e+00 -3.996122212e+00 2.80 -2.925302929e+00 -3.791255636e+00 -3.954209580e+00 2.82 -2.870861319e+00 -3.731055915e+00 -3.910634434e+00 2.84 -2.814816306e+00 -3.669700137e+00 -3.864939210e+00 2.86 -2.756825181e+00 -3.607445080e+00 -3.817219521e+00 2.88 -2.696636198e+00 -3.544425002e+00 -3.767591778e+00 2.90 -2.634560566e+00 -3.480616001e+00 -3.716174713e+00 2.92 -2.571982808e+00 -3.415815637e+00 -3.663099315e+00 2.94 -2.510633867e+00 -3.349691836e+00 -3.608512495e+00 2.96 -2.451085111e+00 -3.281897309e+00 -3.552579390e+00 2.98 -2.392820494e+00 -3.212219070e+00 -3.495485158e+00 3.00 -2.335189942e+00 -3.140763956e+00 -3.437434519e+00 3.02 -2.277700322e+00 -3.068013554e+00 -3.378633297e+00 3.04 -2.220837841e+00 -2.994520715e+00 -3.319254910e+00 3.06 -2.167754832e+00 -2.920333001e+00 -3.259421958e+00 3.08 -2.120162464e+00 -2.844699726e+00 -3.199191235e+00 3.10 -2.075991367e+00 -2.766496749e+00 -3.138567029e+00 3.12 -2.033620588e+00 -2.685151463e+00 -3.077536673e+00 3.14 -1.992303833e+00 -2.601490017e+00 -3.016076902e+00 3.16 -1.951657357e+00 -2.518020319e+00 -2.954155152e+00 3.18 -1.911430061e+00 -2.438426252e+00 -2.891733019e+00 3.20 -1.871403436e+00 -2.366181575e+00 -2.828789852e+00 3.22 -1.831344622e+00 -2.302581121e+00 -2.765386071e+00 3.24 -1.790990422e+00 -2.246053354e+00 -2.701737964e+00 3.26 -1.750065455e+00 -2.193890746e+00 -2.638253905e+00 3.28 -1.708356886e+00 -2.143829008e+00 -2.575410235e+00 3.30 -1.665858122e+00 -2.094768378e+00 -2.513496027e+00 3.32 -1.622961328e+00 -2.048453769e+00 -2.452438930e+00 3.34 -1.580586661e+00 -2.008438921e+00 -2.391824907e+00 3.36 -1.540050487e+00 -1.973597596e+00 -2.331065058e+00 3.38 -1.502595057e+00 -1.941550864e+00 -2.269498952e+00 3.40 -1.468846040e+00 -1.911138233e+00 -2.206478852e+00 3.42 -1.438620877e+00 -1.881831164e+00 -2.141574442e+00 3.44 -1.411184699e+00 -1.853364004e+00 -2.075026818e+00 3.46 -1.385669283e+00 -1.825592188e+00 -2.008470101e+00 3.48 -1.361377170e+00 -1.798431560e+00 -1.945043944e+00 3.50 -1.337913354e+00 -1.771830194e+00 -1.887626397e+00 3.52 -1.315167972e+00 -1.745754172e+00 -1.837634949e+00 3.54 -1.293119964e+00 -1.720180005e+00 -1.795233720e+00 3.56 -1.271755530e+00 -1.695090384e+00 -1.759485964e+00 3.58 -1.251061547e+00 -1.670471717e+00 -1.728748044e+00 3.60 -1.231028195e+00 -1.646312639e+00 -1.701272816e+00 3.62 -1.211651318e+00 -1.622603113e+00 -1.675663285e+00 3.64 -1.192926433e+00 -1.599333874e+00 -1.651072813e+00 3.66 -1.174847694e+00 -1.576496081e+00 -1.627193629e+00 3.68 -1.157406913e+00 -1.554081102e+00 -1.603932616e+00 3.70 -1.140593793e+00 -1.532080377e+00 -1.581223955e+00 3.72 -1.124396162e+00 -1.510485334e+00 -1.559013067e+00 3.74 -1.108799284e+00 -1.489287332e+00 -1.537253487e+00 3.76 -1.093785026e+00 -1.468477635e+00 -1.515915439e+00 3.78 -1.079333076e+00 -1.448047383e+00 -1.494975904e+00 3.80 -1.065421851e+00 -1.427987578e+00 -1.474415604e+00 3.82 -1.052026894e+00 -1.408289076e+00 -1.454217378e+00 3.84 -1.039121506e+00 -1.388942573e+00 -1.434365454e+00 3.86 -1.026676747e+00 -1.369938595e+00 -1.414845315e+00 3.88 -1.014661910e+00 -1.351267432e+00 -1.395643601e+00 3.90 -1.003043556e+00 -1.332919011e+00 -1.376748051e+00 3.92 -9.917880940e-01 -1.314883268e+00 -1.358147478e+00 3.94 -9.808606430e-01 -1.297150578e+00 -1.339831732e+00 3.96 -9.702169826e-01 -1.279711192e+00 -1.321791687e+00 3.98 -9.598253882e-01 -1.262554236e+00 -1.304019226e+00 4.00 -9.496650942e-01 -1.245667084e+00 -1.286507213e+00 4.02 -9.396718706e-01 -1.229039834e+00 -1.269249474e+00 4.04 -9.297673466e-01 -1.212661237e+00 -1.252240765e+00 4.06 -9.199338097e-01 -1.196519813e+00 -1.235476735e+00 4.08 -9.102308231e-01 -1.180603863e+00 -1.218953877e+00 4.10 -9.006634984e-01 -1.164901490e+00 -1.202669481e+00 4.12 -8.911379849e-01 -1.149400622e+00 -1.186621566e+00 4.14 -8.814560240e-01 -1.134089050e+00 -1.170808818e+00 4.16 -8.715536001e-01 -1.118954458e+00 -1.155230532e+00 4.18 -8.613814345e-01 -1.103984479e+00 -1.139886559e+00 4.20 -8.509393911e-01 -1.089166743e+00 -1.124777222e+00 4.22 -8.403080058e-01 -1.074488874e+00 -1.109903212e+00 4.24 -8.295508336e-01 -1.059938805e+00 -1.095265485e+00 4.26 -8.186916042e-01 -1.045504411e+00 -1.080865159e+00 4.28 -8.077074113e-01 -1.031173859e+00 -1.066703404e+00 4.30 -7.966105571e-01 -1.016937736e+00 -1.052781353e+00 4.32 -7.854065477e-01 -1.002786199e+00 -1.039099939e+00 4.34 -7.740919946e-01 -9.887059100e-01 -1.025659965e+00 4.36 -7.626591403e-01 -9.746891412e-01 -1.012461712e+00 4.38 -7.510986618e-01 -9.607405008e-01 -9.995046429e-01 4.40 -7.394013237e-01 -9.468609188e-01 -9.867904846e-01 4.42 -7.275588965e-01 -9.330224993e-01 -9.743144242e-01 4.44 -7.155646383e-01 -9.192060495e-01 -9.620705382e-01 4.46 -7.034135144e-01 -9.054064424e-01 -9.500708621e-01 4.48 -6.911022849e-01 -8.916902666e-01 -9.383191708e-01 4.50 -6.786295327e-01 -8.780850993e-01 -9.267755029e-01 4.52 -6.659956702e-01 -8.646247451e-01 -9.154106359e-01 4.54 -6.532029350e-01 -8.512732542e-01 -9.042518395e-01 4.56 -6.402553936e-01 -8.379350303e-01 -8.933622138e-01 4.58 -6.271589377e-01 -8.245855292e-01 -8.827617905e-01 4.60 -6.139212830e-01 -8.112175085e-01 -8.724215970e-01 4.62 -6.005519480e-01 -7.978261911e-01 -8.621967013e-01 4.64 -5.870622094e-01 -7.844281475e-01 -8.520287661e-01 4.66 -5.734647922e-01 -7.710801230e-01 -8.418883109e-01 4.68 -5.597734470e-01 -7.578293995e-01 -8.317539389e-01 4.70 -5.460028031e-01 -7.447043796e-01 -8.216471761e-01 4.72 -5.321682450e-01 -7.317117619e-01 -8.116269625e-01 4.74 -5.182857677e-01 -7.188374211e-01 -8.017258702e-01 4.76 -5.043718157e-01 -7.060907107e-01 -7.919496781e-01 4.78 -4.904430981e-01 -6.934744460e-01 -7.822654781e-01 4.80 -4.765163899e-01 -6.809849112e-01 -7.726678404e-01 4.82 -4.626083279e-01 -6.686135687e-01 -7.631490359e-01 4.84 -4.487351838e-01 -6.563481793e-01 -7.536937027e-01 4.86 -4.349126238e-01 -6.441734827e-01 -7.442820357e-01 4.88 -4.211554514e-01 -6.320715525e-01 -7.348919348e-01 4.90 -4.074773575e-01 -6.200219045e-01 -7.255004337e-01 4.92 -3.938906789e-01 -6.080014480e-01 -7.160846344e-01 4.94 -3.804060166e-01 -5.959842899e-01 -7.066223228e-01 4.96 -3.670319798e-01 -5.839414544e-01 -6.970923798e-01 4.98 -3.537749286e-01 -5.718406358e-01 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