# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Howells-C-A-Mishin-Y--Cr-Ni # implementation = 2018--Howells-C-A--Cr-Ni--LAMMPS--ipr1 # composition = Ni # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan -1.196931634e+05 nan 0.70 nan nan nan nan nan nan nan nan -1.197577880e+05 nan 0.72 nan nan nan nan nan -1.199111680e+05 nan nan -1.198152482e+05 nan 0.74 nan nan nan nan nan -1.199491104e+05 nan nan -1.198662816e+05 nan 0.76 nan nan nan nan nan -9.664679927e+04 nan nan -1.199116067e+05 nan 0.78 nan nan nan nan nan -7.076338331e+04 nan nan -1.199519120e+05 nan 0.80 nan nan nan nan nan -5.213930853e+04 nan nan -9.632017717e+04 nan 0.82 nan nan nan -1.196183576e+05 -1.196180209e+05 -3.860010292e+04 nan nan -6.877093913e+04 -1.198746168e+05 0.84 nan -1.198970757e+05 nan -1.196713741e+05 -1.196711033e+05 -2.868430388e+04 -1.199027030e+05 nan -4.908866181e+04 -1.199148289e+05 0.86 nan -1.199373823e+05 nan -1.197206318e+05 -1.197204516e+05 -2.135809083e+04 -1.199415777e+05 nan -3.503905377e+04 -1.199511768e+05 0.88 nan -1.116827521e+05 nan -1.197666424e+05 -1.197665576e+05 -1.589051428e+04 -1.094644248e+05 nan -2.498321536e+04 -1.008621419e+05 0.90 nan -7.970917469e+04 nan -1.198100317e+05 -1.198100073e+05 -1.176589382e+04 -8.030760464e+04 nan -1.776272607e+04 -7.471138512e+04 0.92 nan -5.626114348e+04 nan -1.198510936e+05 -1.198510972e+05 -8.620530697e+03 -5.861153754e+04 nan -1.255822294e+04 -5.515881865e+04 0.94 -1.198899111e+05 -3.933342861e+04 -1.199408475e+05 -1.198899197e+05 -1.198899213e+05 -6.204862866e+03 -4.245505806e+04 -1.199244027e+05 -8.794061706e+03 -4.053198465e+04 0.96 -1.199266230e+05 -2.720669756e+04 -1.121627566e+05 -1.199266217e+05 -1.199266200e+05 -4.362093063e+03 -3.048091169e+04 -1.199599092e+05 -6.075324816e+03 -2.958551468e+04 0.98 -1.199612871e+05 -1.859287284e+04 -8.250522131e+04 -1.199612765e+05 -1.199612727e+05 -2.974401288e+03 -2.168616948e+04 -9.514524588e+04 -4.119388383e+03 -2.139379387e+04 1.00 -9.458686267e+04 -1.253168714e+04 -5.978426910e+04 -9.458462811e+04 -9.458414085e+04 -1.947347682e+03 -1.524177872e+04 -6.944179056e+04 -2.720538513e+03 -1.526880367e+04 1.02 -6.930098543e+04 -8.325814649e+03 -4.276461781e+04 -6.930140748e+04 -6.930173315e+04 -1.216225443e+03 -1.058058476e+04 -5.022905582e+04 -1.740361289e+03 -1.076929358e+04 1.04 -5.047092641e+04 -5.453096882e+03 -3.034780348e+04 -5.047302120e+04 -5.047378587e+04 -7.193315480e+02 -7.263932771e+03 -3.606939481e+04 -1.074057057e+03 -7.536017367e+03 1.06 -3.649781742e+04 -3.513385335e+03 -2.135388487e+04 -3.649992504e+04 -3.650065758e+04 -3.909087461e+02 -4.918751500e+03 -2.568666176e+04 -6.299624890e+02 -5.211737713e+03 1.08 -2.617084040e+04 -2.219783646e+03 -1.488840543e+04 -2.617189325e+04 -2.617229736e+04 -1.816650331e+02 -3.276660257e+03 -1.811649752e+04 -3.411739881e+02 -3.542554521e+03 1.10 -1.858898763e+04 -1.368607272e+03 -1.027758393e+04 -1.858891241e+04 -1.858892646e+04 -5.499209775e+01 -2.139409938e+03 -1.263973554e+04 -1.592996492e+02 -2.355318243e+03 1.12 -1.306695923e+04 -8.167689240e+02 -7.017110043e+03 -1.306622699e+04 -1.306595627e+04 1.598878052e+01 -1.361453045e+03 -8.713211738e+03 -4.968292897e+01 -1.522836788e+03 1.14 -9.079945693e+03 -4.649295607e+02 -4.731987375e+03 -9.079096529e+03 -9.078737192e+03 5.073941111e+01 -8.368007891e+02 -5.925745063e+03 1.220679718e+01 -9.489468622e+02 1.16 -6.228365684e+03 -2.449435906e+02 -3.145544848e+03 -6.227749367e+03 -6.227461864e+03 6.311628046e+01 -4.889424969e+02 -3.968114043e+03 4.349619726e+01 -5.614076258e+02 1.18 -4.209838935e+03 -1.106585536e+02 -2.055352392e+03 -4.209576031e+03 -4.209426534e+03 6.277907964e+01 -2.631424216e+02 -2.609467520e+03 5.595271503e+01 -3.063382521e+02 1.20 -2.797139498e+03 -3.124982240e+01 -1.314490757e+03 -2.797169311e+03 -2.797147479e+03 5.627836734e+01 -1.206069042e+02 -1.678827401e+03 5.750878754e+01 -1.439147272e+02 1.22 -1.820777117e+03 1.356731789e+01 -8.171796099e+02 -1.820958534e+03 -1.821020315e+03 4.788695078e+01 -3.407192532e+01 -1.050636328e+03 5.339236818e+01 -4.501701634e+01 1.24 -1.155323303e+03 3.700025834e+01 -4.879470939e+02 -1.155539286e+03 -1.155638323e+03 4.008206549e+01 1.521296530e+01 -6.335636427e+02 4.701835762e+01 1.138376944e+01 1.26 -7.088262173e+02 4.734354464e+01 -2.734863129e+02 -7.090104102e+02 -7.091094929e+02 3.333322695e+01 4.042828582e+01 -3.618903878e+02 4.046467700e+01 4.025149074e+01 1.28 -4.145704028e+02 4.996285378e+01 -1.365443719e+02 -4.146929768e+02 -4.147682792e+02 2.752433692e+01 5.072734169e+01 -1.888799266e+02 3.466552867e+01 5.204498619e+01 1.30 -2.246823115e+02 4.833677000e+01 -5.135965452e+01 -2.247414992e+02 -2.247845534e+02 2.255485469e+01 5.233477755e+01 -8.172231000e+01 2.959920450e+01 5.391450715e+01 1.32 -1.052323858e+02 4.465267321e+01 -2.754171756e-01 -1.052434075e+02 -1.052583246e+02 1.833554027e+01 4.937399549e+01 -1.770980999e+01 2.518168498e+01 5.061173439e+01 1.34 -3.249922990e+01 4.024587322e+01 2.842231351e+01 -3.248188519e+01 -3.247850428e+01 1.478458529e+01 4.448430832e+01 1.862807201e+01 2.133996778e+01 4.517999345e+01 1.36 9.858674066e+00 3.600586268e+01 4.282511027e+01 9.888973609e+00 9.901616294e+00 1.182492664e+01 3.927805930e+01 3.765121738e+01 1.800939749e+01 3.947284326e+01 1.38 3.292187731e+01 3.219452125e+01 4.843367859e+01 3.295489711e+01 3.297056909e+01 9.382548080e+00 3.461695601e+01 4.616596119e+01 1.513132876e+01 3.443577156e+01 1.40 4.406850729e+01 2.877528443e+01 4.891164562e+01 4.409857323e+01 4.411400621e+01 7.385869305e+00 3.059145724e+01 4.854586489e+01 1.265138727e+01 3.012595410e+01 1.42 4.810943898e+01 2.570035777e+01 4.663972054e+01 4.813426462e+01 4.814832024e+01 5.766012758e+00 2.709357598e+01 4.752903571e+01 1.051846264e+01 2.642735136e+01 1.44 4.810643229e+01 2.292687382e+01 4.311874584e+01 4.812564182e+01 4.813818747e+01 4.457148115e+00 2.403988810e+01 4.477744978e+01 8.684291928e+00 2.323564441e+01 1.46 4.595277901e+01 2.041627588e+01 3.926085144e+01 4.596673437e+01 4.597776442e+01 3.397444945e+00 2.133418727e+01 4.129240403e+01 7.103000681e+00 2.045529544e+01 1.48 4.278033062e+01 1.813392242e+01 3.559416685e+01 4.278897680e+01 4.279807953e+01 2.529817755e+00 1.891090810e+01 3.771878856e+01 5.730852305e+00 1.799827282e+01 1.50 3.923944300e+01 1.604832353e+01 3.228219603e+01 3.924214873e+01 3.924841494e+01 1.801871305e+00 1.670919496e+01 3.434059486e+01 4.526243530e+00 1.578298474e+01 1.52 3.589092624e+01 1.415510436e+01 2.935391846e+01 3.588711089e+01 3.588935256e+01 1.230706472e+00 1.473804198e+01 3.128379795e+01 3.498590545e+00 1.383235934e+01 1.54 3.277667801e+01 1.241728467e+01 2.665095117e+01 3.276669188e+01 3.276401930e+01 7.404179264e-01 1.291864000e+01 2.845684941e+01 2.587616483e+00 1.203687393e+01 1.56 2.989310254e+01 1.082333722e+01 2.415216419e+01 2.987800591e+01 2.987008677e+01 3.207788919e-01 1.124044362e+01 2.583868353e+01 1.782336329e+00 1.038805413e+01 1.58 2.721951493e+01 9.362370892e+00 2.183968841e+01 2.720084445e+01 2.718794672e+01 -3.731425465e-02 9.694702349e+00 2.341147879e+01 1.072944899e+00 8.878585195e+00 1.60 2.473793345e+01 8.024151233e+00 1.969771728e+01 2.471756036e+01 2.470057953e+01 -3.423872628e-01 8.273693171e+00 2.115988540e+01 4.508853632e-01 7.501451660e+00 1.62 2.243294652e+01 6.799091377e+00 1.771229214e+01 2.241278024e+01 2.239316873e+01 -6.023181345e-01 6.970345762e+00 1.907061099e+01 -9.157742949e-02 6.249854417e+00 1.64 2.029118075e+01 5.678156861e+00 1.587121545e+01 2.027291280e+01 2.025253092e+01 -8.241000833e-01 5.777920068e+00 1.713190456e+01 -5.620180485e-01 5.116871015e+00 1.66 1.830078433e+01 4.652767746e+00 1.416382994e+01 1.828582766e+01 1.826671234e+01 -1.013844600e+00 4.689879937e+00 1.533318194e+01 -9.678180162e-01 4.095178217e+00 1.68 1.645127253e+01 3.714703552e+00 1.258074727e+01 1.644062581e+01 1.642467872e+01 -1.176995636e+00 3.699779383e+00 1.366488549e+01 -1.316063676e+00 3.177240855e+00 1.70 1.473333940e+01 2.856053640e+00 1.111354260e+01 1.472747409e+01 1.471620534e+01 -1.318463273e+00 2.801169554e+00 1.211829633e+01 -1.613442733e+00 2.355512810e+00 1.72 1.313848174e+01 2.069483841e+00 9.754412126e+00 1.313745411e+01 1.313190465e+01 -1.442710922e+00 1.987830415e+00 1.068534059e+01 -1.866203827e+00 1.622486220e+00 1.74 1.165859824e+01 1.348654803e+00 8.495811942e+00 1.166229650e+01 1.166304996e+01 -1.553818766e+00 1.253972802e+00 9.358372532e+00 -2.080192334e+00 9.707749580e-01 1.76 1.028591879e+01 6.885807206e-01 7.330400681e+00 1.029425513e+01 1.030146993e+01 -1.655326376e+00 5.944157167e-01 8.130186123e+00 -2.260968066e+00 3.935168796e-01 1.78 9.013245533e+00 8.540823572e-02 6.251267816e+00 9.026129499e+00 9.039542417e+00 -1.749889439e+00 4.640128036e-03 6.994112634e+00 -2.413750117e+00 -1.154978963e-01 1.80 7.833927921e+00 -4.641772224e-01 5.251917331e+00 7.851146597e+00 7.870095068e+00 -1.839189069e+00 -5.198110553e-01 5.943965938e+00 -2.543370264e+00 -5.622820703e-01 1.82 6.741784097e+00 -9.631682143e-01 4.326205160e+00 6.762861055e+00 6.786335555e+00 -1.924396260e+00 -9.835384226e-01 4.973971212e+00 -2.654195295e+00 -9.527459773e-01 1.84 5.731021259e+00 -1.414412497e+00 3.468281753e+00 5.755200424e+00 5.781928460e+00 -2.006582454e+00 -1.391263576e+00 4.078694243e+00 -2.749990598e+00 -1.292732600e+00 1.86 4.796189805e+00 -1.820723594e+00 2.672681668e+00 4.822480873e+00 4.851026197e+00 -2.086762696e+00 -1.747688094e+00 3.252994986e+00 -2.833828424e+00 -1.587972976e+00 1.88 3.932200783e+00 -2.184863547e+00 1.934676777e+00 3.959413447e+00 3.988258825e+00 -2.165662596e+00 -2.057403167e+00 2.492025431e+00 -2.908003876e+00 -1.843902708e+00 1.90 3.134312364e+00 -2.509615070e+00 1.250499263e+00 3.161095766e+00 3.188724456e+00 -2.243670366e+00 -2.324855912e+00 1.791222452e+00 -2.974118136e+00 -2.065559254e+00 1.92 2.398104395e+00 -2.797900553e+00 6.174667765e-01 2.422999636e+00 2.447981123e+00 -2.320857009e+00 -2.554341506e+00 1.146447940e+00 -3.033448102e+00 -2.257584423e+00 1.94 1.719454840e+00 -3.052801496e+00 3.366430947e-02 1.740987507e+00 1.762065914e+00 -2.396990866e+00 -2.750030962e+00 5.541179591e-01 -3.087109142e+00 -2.424262958e+00 1.96 1.094518113e+00 -3.277425382e+00 -5.025169753e-01 1.111388136e+00 1.127571893e+00 -2.471545744e+00 -2.915956238e+00 1.089896932e-02 -3.136082050e+00 -2.569505610e+00 1.98 5.197051809e-01 -3.474735809e+00 -9.925734299e-01 5.310084298e-01 5.416487137e-01 -2.543711239e+00 -3.055988276e+00 -4.864474846e-01 -3.181160752e+00 -2.696825355e+00 2.00 -8.334643827e-03 -3.647490106e+00 -1.438066182e+00 -3.037087669e-03 1.765014897e-03 -2.612528439e+00 -3.173813065e+00 -9.409715153e-01 -3.222918616e+00 -2.809313789e+00 2.02 -4.927306871e-01 -3.798183129e+00 -1.840796111e+00 -4.934659932e-01 -4.944902756e-01 -2.677109403e+00 -3.272905031e+00 -1.355529767e+00 -3.261739306e+00 -2.909617371e+00 2.04 -9.364064212e-01 -3.928986693e+00 -2.202819033e+00 -9.428607810e-01 -9.494387037e-01 -2.736730559e+00 -3.356481216e+00 -1.732802514e+00 -3.297798212e+00 -2.999912816e+00 2.06 -1.342093829e+00 -4.041685642e+00 -2.526361593e+00 -1.353675924e+00 -1.365292871e+00 -2.790896099e+00 -3.427417614e+00 -2.075309528e+00 -3.331041289e+00 -3.081880588e+00 2.08 -1.712346643e+00 -4.137630977e+00 -2.813842610e+00 -1.728266224e+00 -1.744190644e+00 -2.839367502e+00 -3.488132036e+00 -2.385424456e+00 -3.361194941e+00 -3.156695766e+00 2.10 -2.049552598e+00 -4.217869785e+00 -3.067780844e+00 -2.068871971e+00 -2.088191407e+00 -2.882081183e+00 -3.540525890e+00 -2.665383250e+00 -3.387794569e+00 -3.225210658e+00 2.12 -2.355944763e+00 -4.283307817e+00 -3.290714634e+00 -2.377613026e+00 -2.399281289e+00 -2.919083515e+00 -3.586150025e+00 -2.917296000e+00 -3.410331157e+00 -3.288189406e+00 2.14 -2.633612030e+00 -4.334752287e+00 -3.485176693e+00 -2.656507431e+00 -2.679402833e+00 -2.950505264e+00 -3.626274405e+00 -3.143161787e+00 -3.428386906e+00 -3.346354584e+00 2.16 -2.884508788e+00 -4.372944909e+00 -3.653666014e+00 -2.907503953e+00 -2.930499117e+00 -2.976534922e+00 -3.661905085e+00 -3.344879751e+00 -3.441658373e+00 -3.400259847e+00 2.18 -3.110463941e+00 -4.398596054e+00 -3.798615204e+00 -3.132507128e+00 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