# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Tramontina-D-R-Deluigi-O-R-Pinzon-R-et-al--Fe-Cu-Ni # implementation = 2023--Tramontina-D-R--Fe-Cu-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 2023-06-29 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 nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 7.099169534e+02 nan 0.74 nan nan nan nan nan nan nan nan 6.107062037e+02 nan 0.76 nan nan nan nan nan nan nan nan 5.263482723e+02 nan 0.78 nan nan nan nan nan 4.306302059e+02 nan nan 4.543417965e+02 nan 0.80 nan nan nan nan nan 3.739864602e+02 nan nan 3.927936479e+02 nan 0.82 nan nan nan nan nan 3.257810949e+02 nan nan 3.403074236e+02 nan 0.84 nan nan nan nan nan 2.847037843e+02 nan nan 2.956302430e+02 nan 0.86 nan nan nan nan nan 2.497156473e+02 nan nan 2.576146939e+02 nan 0.88 nan nan nan 6.208787247e+02 6.208808805e+02 2.198260049e+02 nan nan 2.252635665e+02 3.613801692e+02 0.90 nan 2.890561582e+02 nan 5.469416609e+02 5.471738321e+02 1.941470602e+02 3.125983389e+02 nan 1.977516959e+02 3.164455425e+02 0.92 nan 2.549746985e+02 nan 4.831147354e+02 4.835021042e+02 1.719358370e+02 2.738196223e+02 nan 1.742660442e+02 2.779673718e+02 0.94 nan 2.251827278e+02 nan 4.277363255e+02 4.282121422e+02 1.525851108e+02 2.404707201e+02 nan 1.540783083e+02 2.448931744e+02 0.96 nan 1.989646983e+02 nan 3.794699114e+02 3.799608515e+02 1.355911843e+02 2.118517843e+02 nan 1.366314351e+02 2.163914822e+02 0.98 nan 1.758417286e+02 nan 3.372962822e+02 3.376904882e+02 1.205396665e+02 1.872195314e+02 3.014502968e+02 1.214677065e+02 1.918382918e+02 1.00 3.001666417e+02 1.553974471e+02 2.560295649e+02 3.003574678e+02 3.005402556e+02 1.071412861e+02 1.659834315e+02 2.684480914e+02 1.082297978e+02 1.706787626e+02 1.02 2.679591868e+02 1.371964739e+02 2.271473200e+02 2.679122986e+02 2.678702516e+02 9.527551968e+01 1.476831798e+02 2.393897927e+02 9.665042163e+01 1.523604659e+02 1.04 2.395351670e+02 1.210143338e+02 2.019390307e+02 2.393326645e+02 2.391404632e+02 8.484534945e+01 1.318862380e+02 2.136444442e+02 8.648744295e+01 1.364080458e+02 1.06 2.142889147e+02 1.067740443e+02 1.799036901e+02 2.140214786e+02 2.137646533e+02 7.563174381e+01 1.181809986e+02 1.907010048e+02 7.751423344e+01 1.224318972e+02 1.08 1.917273880e+02 9.433035127e+01 1.605500695e+02 1.914725352e+02 1.912261379e+02 6.742024079e+01 1.062046508e+02 1.702068846e+02 6.955897113e+01 1.101139623e+02 1.10 1.714628491e+02 8.352305696e+01 1.434780012e+02 1.712841530e+02 1.711058544e+02 6.004042302e+01 9.567552272e+01 1.519144902e+02 6.248756249e+01 9.918919107e+01 1.12 1.533453428e+02 7.417433295e+01 1.283466543e+02 1.532616306e+02 1.531707985e+02 5.335323448e+01 8.636073913e+01 1.356758865e+02 5.616499729e+01 8.948342526e+01 1.14 1.372542180e+02 6.609253398e+01 1.148169667e+02 1.372383486e+02 1.372144934e+02 4.723003916e+01 7.802971211e+01 1.213333474e+02 5.044018915e+01 8.083836017e+01 1.16 1.230002462e+02 5.910394063e+01 1.026551508e+02 1.230180608e+02 1.230296194e+02 4.158754339e+01 7.052387907e+01 1.086516986e+02 4.520872862e+01 7.311622288e+01 1.18 1.103674127e+02 5.306845569e+01 9.177599927e+01 1.103958112e+02 1.104191881e+02 3.643846152e+01 6.375430647e+01 9.743266187e+01 4.042791528e+01 6.619151920e+01 1.20 9.916894579e+01 4.785503977e+01 8.216073711e+01 9.919312860e+01 9.921547865e+01 3.185386972e+01 5.766147837e+01 8.750109231e+01 3.608967095e+01 5.996092247e+01 1.22 8.922986593e+01 4.334306757e+01 7.374380016e+01 8.924599481e+01 8.926309038e+01 2.785670420e+01 5.217969338e+01 7.869750833e+01 3.218289726e+01 5.432442399e+01 1.24 8.039386169e+01 3.943476586e+01 6.638252523e+01 8.040406625e+01 8.041665238e+01 2.438396270e+01 4.722921124e+01 7.087945898e+01 2.865842186e+01 4.919518749e+01 1.26 7.253504736e+01 3.604591723e+01 5.994018564e+01 7.253770964e+01 7.254576805e+01 2.136962725e+01 4.273514598e+01 6.393037179e+01 2.546380003e+01 4.449714561e+01 1.28 6.553847867e+01 3.309344760e+01 5.430508850e+01 6.553365526e+01 6.553826799e+01 1.875602187e+01 3.863221342e+01 5.774927067e+01 2.256754571e+01 4.016450835e+01 1.30 5.929501192e+01 3.050296371e+01 4.937749878e+01 5.928630186e+01 5.928916724e+01 1.649425361e+01 3.487283043e+01 5.225448522e+01 1.997193922e+01 3.615203090e+01 1.32 5.370722454e+01 2.821193718e+01 4.506114299e+01 5.370289599e+01 5.370602544e+01 1.453814209e+01 3.145515070e+01 4.737546990e+01 1.768521532e+01 3.242526538e+01 1.34 4.869518410e+01 2.617520644e+01 4.127664060e+01 4.870397564e+01 4.870935171e+01 1.285243093e+01 2.839141362e+01 4.304084755e+01 1.568037410e+01 2.895271642e+01 1.36 4.422850734e+01 2.434775712e+01 3.794812526e+01 4.424652424e+01 4.425449167e+01 1.140142259e+01 2.567316813e+01 3.920440296e+01 1.391905915e+01 2.575669584e+01 1.38 4.027908615e+01 2.268659649e+01 3.500554807e+01 4.030180526e+01 4.031259721e+01 1.015309967e+01 2.325484499e+01 3.582664307e+01 1.236821983e+01 2.288293079e+01 1.40 3.681757652e+01 2.115504883e+01 3.239004922e+01 3.684139107e+01 3.685442248e+01 9.078402988e+00 2.109394410e+01 3.287189339e+01 1.099604554e+01 2.036282617e+01 1.42 3.379049438e+01 1.972252540e+01 3.006023339e+01 3.381092898e+01 3.382492197e+01 8.154650410e+00 1.915898902e+01 3.028537395e+01 9.775021547e+00 1.816516889e+01 1.44 3.113815892e+01 1.836539721e+01 2.797928812e+01 3.115529252e+01 3.117028145e+01 7.364372726e+00 1.741707344e+01 2.801735153e+01 8.685521471e+00 1.624700235e+01 1.46 2.880925884e+01 1.706679312e+01 2.610543202e+01 2.882362295e+01 2.883934148e+01 6.687285451e+00 1.583775720e+01 2.602268359e+01 7.707106151e+00 1.457203864e+01 1.48 2.676137876e+01 1.580967095e+01 2.440256024e+01 2.677136569e+01 2.678673732e+01 6.106055558e+00 1.439428799e+01 2.426001755e+01 6.821429644e+00 1.311130818e+01 1.50 2.495157591e+01 1.457853126e+01 2.284133370e+01 2.495622515e+01 2.496996448e+01 5.607603563e+00 1.306358568e+01 2.269044185e+01 6.014624357e+00 1.183389177e+01 1.52 2.334115582e+01 1.336082633e+01 2.139381737e+01 2.334245284e+01 2.335302980e+01 5.177979718e+00 1.183048315e+01 2.128086897e+01 5.275654991e+00 1.071183590e+01 1.54 2.190072393e+01 1.214676725e+01 2.003544149e+01 2.189854787e+01 2.190411696e+01 4.804525046e+00 1.069225793e+01 2.000476837e+01 4.595286359e+00 9.724951127e+00 1.56 2.060160435e+01 1.093774557e+01 1.874483805e+01 2.059650545e+01 2.059674672e+01 4.475333364e+00 9.649302411e+00 1.883660572e+01 3.972636996e+00 8.851781726e+00 1.58 1.941624213e+01 9.754696372e+00 1.750349743e+01 1.941100877e+01 1.940765304e+01 4.178548671e+00 8.705423067e+00 1.775412704e+01 3.410715302e+00 8.072965113e+00 1.60 1.832002240e+01 8.620262883e+00 1.629559317e+01 1.831781503e+01 1.831278586e+01 3.903696217e+00 7.848250996e+00 1.673680660e+01 2.912796412e+00 7.371240978e+00 1.62 1.729793931e+01 7.544506490e+00 1.511389792e+01 1.729882711e+01 1.729311053e+01 3.644762606e+00 7.063557741e+00 1.577088679e+01 2.473087856e+00 6.736811521e+00 1.64 1.633511075e+01 6.519905999e+00 1.395297168e+01 1.633721980e+01 1.633127667e+01 3.395859432e+00 6.339689072e+00 1.484204136e+01 2.080983400e+00 6.159522256e+00 1.66 1.541548146e+01 5.538420541e+00 1.281805594e+01 1.541666586e+01 1.541102350e+01 3.150608507e+00 5.666217930e+00 1.393680540e+01 1.726332635e+00 5.627839363e+00 1.68 1.452507431e+01 4.593318823e+00 1.172108774e+01 1.452472248e+01 1.451999264e+01 2.903543078e+00 5.034431033e+00 1.304364342e+01 1.401571243e+00 5.131587183e+00 1.70 1.365188511e+01 3.683396183e+00 1.067408068e+01 1.365087179e+01 1.364772720e+01 2.650325588e+00 4.437701357e+00 1.215235188e+01 1.099651472e+00 4.661998590e+00 1.72 1.278674356e+01 2.821595291e+00 9.682329571e+00 1.278545629e+01 1.278408571e+01 2.391593610e+00 3.870141021e+00 1.125430719e+01 8.142715858e-01 4.213695228e+00 1.74 1.192042925e+01 2.022250636e+00 8.737808155e+00 1.191911656e+01 1.191956748e+01 2.125998303e+00 3.325418146e+00 1.034367396e+01 5.400763107e-01 3.781045699e+00 1.76 1.104519877e+01 1.297991905e+00 7.831984603e+00 1.104413857e+01 1.104648715e+01 1.851523016e+00 2.798200805e+00 9.417397153e+00 2.725293473e-01 3.358745507e+00 1.78 1.015582423e+01 6.469405289e-01 6.957452019e+00 1.015557872e+01 1.015994253e+01 1.566725007e+00 2.284563447e+00 8.474391114e+00 8.060619149e-03 2.941900013e+00 1.80 9.248064787e+00 6.156949203e-02 6.107830989e+00 9.250443644e+00 9.256988411e+00 1.270678185e+00 1.782644157e+00 7.514614007e+00 -2.553577762e-01 2.525406283e+00 1.82 8.319886639e+00 -4.648574034e-01 5.277668604e+00 8.326638779e+00 8.335417651e+00 9.629184894e-01 1.293152851e+00 6.540338114e+00 -5.182444385e-01 2.105153869e+00 1.84 7.377688149e+00 -9.397551006e-01 4.462345038e+00 7.387559654e+00 7.397560964e+00 6.434025302e-01 8.179836042e-01 5.557593983e+00 -7.816549912e-01 1.678106807e+00 1.86 6.422653931e+00 -1.369549458e+00 3.658149385e+00 6.433700598e+00 6.443630126e+00 3.130059247e-01 3.585237982e-01 4.582855755e+00 -1.046753175e+00 1.242183150e+00 1.88 5.455522311e+00 -1.759793658e+00 2.865751925e+00 5.466501065e+00 5.475840413e+00 -2.611620233e-02 -8.733540810e-02 3.635937123e+00 -1.313458771e+00 7.961781137e-01 1.90 4.485410056e+00 -2.114337718e+00 2.089766869e+00 4.495306117e+00 4.503859620e+00 -3.690768208e-01 -5.191130353e-01 2.739616210e+00 -1.580078304e+00 3.434133800e-01 1.92 3.536857350e+00 -2.434532046e+00 1.345388486e+00 3.544965877e+00 3.552501320e+00 -7.067182926e-01 -9.300404624e-01 1.910965256e+00 -1.840569251e+00 -1.047963681e-01 1.94 2.636789491e+00 -2.720929429e+00 6.503584922e-01 2.643142070e+00 2.649383183e+00 -1.028295618e+00 -1.312973565e+00 1.154789885e+00 -2.087378237e+00 -5.357135484e-01 1.96 1.812035578e+00 -2.973662956e+00 1.968769848e-02 1.816652969e+00 1.821270360e+00 -1.323631019e+00 -1.660765148e+00 4.740090016e-01 -2.312975045e+00 -9.363598539e-01 1.98 1.072972638e+00 -3.194623415e+00 -5.424487782e-01 1.075572731e+00 1.078172824e+00 -1.588489194e+00 -1.971664299e+00 -1.339700306e-01 -2.514744456e+00 -1.299133045e+00 2.00 4.118722236e-01 -3.387498408e+00 -1.042654035e+00 4.119975689e-01 4.121229143e-01 -1.824485488e+00 -2.249331781e+00 -6.766383258e-01 -2.694546172e+00 -1.626286292e+00 2.02 -1.793413064e-01 -3.555729086e+00 -1.487296851e+00 -1.821289181e-01 -1.849165298e-01 -2.033457970e+00 -2.497316229e+00 -1.160952538e+00 -2.853174730e+00 -1.921358913e+00 2.04 -7.079083835e-01 -3.702460416e+00 -1.882107495e+00 -7.132511435e-01 -7.185939034e-01 -2.217206300e+00 -2.718850237e+00 -1.593035677e+00 -2.991995588e+00 -2.187581450e+00 2.06 -1.180345070e+00 -3.830189430e+00 -2.232255610e+00 -1.187656108e+00 -1.194967145e+00 -2.377481289e+00 -2.916889510e+00 -1.977438555e+00 -3.112303319e+00 -2.427912753e+00 2.08 -1.602542368e+00 -3.940788254e+00 -2.542371402e+00 -1.611196452e+00 -1.619850536e+00 -2.515930423e+00 -3.094148265e+00 -2.318996749e+00 -3.214756818e+00 -2.645066112e+00 2.10 -1.979849326e+00 -4.035611701e+00 -2.815945735e+00 -1.989176607e+00 -1.998503889e+00 -2.633429222e+00 -3.252448465e+00 -2.622290176e+00 -3.300509995e+00 -2.841122315e+00 2.12 -2.317146820e+00 -4.114545905e+00 -3.056502203e+00 -2.326424306e+00 -2.335701792e+00 -2.731103127e+00 -3.392305375e+00 -2.891500132e+00 -3.370754413e+00 -3.017455768e+00 2.14 -2.618913196e+00 -4.178438849e+00 -3.267447583e+00 -2.627354061e+00 -2.635794927e+00 -2.810168700e+00 -3.514828604e+00 -3.130252774e+00 -3.426543383e+00 -3.175393064e+00 2.16 -2.887686708e+00 -4.229045395e+00 -3.451871022e+00 -2.894825738e+00 -2.901964769e+00 -2.871693276e+00 -3.621328001e+00 -3.340561124e+00 -3.468866594e+00 -3.315236797e+00 2.18 -3.124818557e+00 -4.267403792e+00 -3.612577455e+00 -3.130720317e+00 -3.136622077e+00 -2.916570783e+00 -3.714248252e+00 -3.524642265e+00 -3.498488791e+00 -3.437393634e+00 2.20 -3.333466340e+00 -4.294428146e+00 -3.752116539e+00 -3.338194438e+00 -3.342922536e+00 -2.946464890e+00 -3.794333004e+00 -3.685250501e+00 -3.515573482e+00 -3.543022044e+00 2.22 -3.516520508e+00 -4.310978538e+00 -3.872808297e+00 -3.520133170e+00 -3.523745831e+00 -2.965209888e+00 -3.862087496e+00 -3.824901447e+00 -3.520713197e+00 -3.633158982e+00 2.24 -3.676617123e+00 -4.317860481e+00 -3.976766548e+00 -3.679166879e+00 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