# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2000--Lenosky-T-J-Sadigh-B-Alonso-E-et-al--Si # implementation = 2000--Lenosky-T-J--Si--LAMMPS--ipr1 # composition = Si # 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 nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan 2.039249081e+04 nan nan nan nan 0.74 nan nan nan nan nan 1.713267401e+04 nan nan nan nan 0.76 nan nan nan nan nan 1.435210248e+04 nan nan 1.948540268e+04 nan 0.78 nan nan nan nan nan 1.201062253e+04 nan nan 1.656742906e+04 nan 0.80 nan nan nan nan nan 1.014847819e+04 nan nan 1.412872020e+04 nan 0.82 nan nan nan nan nan 8.694499883e+03 nan nan 1.205608769e+04 nan 0.84 nan 1.850513350e+04 nan nan nan 7.487706164e+03 1.968736117e+04 nan 1.028141815e+04 1.905884792e+04 0.86 nan 1.598093091e+04 nan nan nan 6.479055650e+03 1.701850108e+04 nan 8.793417789e+03 1.645291880e+04 0.88 nan 1.389103559e+04 nan nan nan 5.596900521e+03 1.476530783e+04 nan 7.560452719e+03 1.417287477e+04 0.90 nan 1.217337063e+04 nan nan nan 4.808129921e+03 1.280432628e+04 nan 6.521577903e+03 1.221465634e+04 0.92 nan 1.068652230e+04 1.847553627e+04 nan nan 4.102528522e+03 1.107936124e+04 1.913356932e+04 5.629143305e+03 1.056584198e+04 0.94 1.888943150e+04 9.387095824e+03 1.611747983e+04 1.902862847e+04 1.912404267e+04 3.504275737e+03 9.599677427e+03 1.681186743e+04 4.874749630e+03 9.221255891e+03 0.96 1.663786044e+04 8.274125742e+03 1.407713274e+04 1.676357943e+04 1.683808968e+04 3.012802031e+03 8.339787864e+03 1.485762471e+04 4.238245690e+03 8.085555164e+03 0.98 1.479338969e+04 7.292450163e+03 1.231749937e+04 1.482763434e+04 1.486447611e+04 2.600430189e+03 7.266516161e+03 1.317974820e+04 3.697655626e+03 7.106351209e+03 1.00 1.316022291e+04 6.409303330e+03 1.082922785e+04 1.313089522e+04 1.313413177e+04 2.249576677e+03 6.355071089e+03 1.167506873e+04 3.235932260e+03 6.234290812e+03 1.02 1.169159093e+04 5.635939829e+03 9.618598083e+03 1.163402345e+04 1.161422064e+04 1.958610219e+03 5.582996923e+03 1.032851926e+04 2.840655164e+03 5.458192530e+03 1.04 1.035863210e+04 4.970326676e+03 8.604078277e+03 1.030725412e+04 1.027951097e+04 1.718537958e+03 4.909517132e+03 9.132968334e+03 2.508313138e+03 4.772212757e+03 1.06 9.163987497e+03 4.390969411e+03 7.689685100e+03 9.121239511e+03 9.088504159e+03 1.507633632e+03 4.325514034e+03 8.064476032e+03 2.218333894e+03 4.175377785e+03 1.08 8.095437423e+03 3.870656824e+03 6.862431630e+03 8.069006816e+03 8.036379544e+03 1.322161703e+03 3.823011326e+03 7.115265312e+03 1.965927479e+03 3.661216814e+03 1.10 7.157012568e+03 3.408603161e+03 6.105403138e+03 7.154564140e+03 7.129910661e+03 1.155761238e+03 3.395195817e+03 6.295801491e+03 1.744581400e+03 3.232200299e+03 1.12 6.348236081e+03 3.006341231e+03 5.415947825e+03 6.362249587e+03 6.353405785e+03 1.007210050e+03 3.026769711e+03 5.595582870e+03 1.544916621e+03 2.877727526e+03 1.14 5.648224412e+03 2.663819100e+03 4.798954911e+03 5.675272816e+03 5.684948350e+03 8.772049588e+02 2.709437463e+03 4.992807895e+03 1.362232559e+03 2.575715655e+03 1.16 5.054247928e+03 2.366558429e+03 4.259315431e+03 5.077572010e+03 5.095817127e+03 7.664126237e+02 2.428076675e+03 4.472437860e+03 1.195954830e+03 2.320667544e+03 1.18 4.551337717e+03 2.100912527e+03 3.793575410e+03 4.559540800e+03 4.578117594e+03 6.738986958e+02 2.178122255e+03 4.017468958e+03 1.046277673e+03 2.103222834e+03 1.20 4.099393308e+03 1.860136604e+03 3.379678960e+03 4.099517372e+03 4.116338584e+03 5.953162928e+02 1.953906945e+03 3.605461465e+03 9.116333679e+02 1.902638820e+03 1.22 3.689558332e+03 1.643263415e+03 3.016786975e+03 3.690335754e+03 3.703888886e+03 5.307942369e+02 1.754171168e+03 3.232357919e+03 7.913912787e+02 1.715819844e+03 1.24 3.317317977e+03 1.453072976e+03 2.702945861e+03 3.319118249e+03 3.327806568e+03 4.798766976e+02 1.575445982e+03 2.897516749e+03 6.848024768e+02 1.542280070e+03 1.26 2.978236091e+03 1.290474551e+03 2.422852013e+03 2.980942533e+03 2.984714779e+03 4.366776711e+02 1.410629436e+03 2.600950582e+03 5.927692032e+02 1.379261136e+03 1.28 2.673256411e+03 1.152175189e+03 2.166459719e+03 2.676731542e+03 2.676123020e+03 3.973439557e+02 1.259070140e+03 2.343508933e+03 5.149989967e+02 1.225289985e+03 1.30 2.405802613e+03 1.033847129e+03 1.933117779e+03 2.408755527e+03 2.404035413e+03 3.614300389e+02 1.120154749e+03 2.118762467e+03 4.508803127e+02 1.081486984e+03 1.32 2.178470016e+03 9.280980692e+02 1.727091452e+03 2.175745788e+03 2.166968406e+03 3.285841169e+02 9.929098145e+02 1.920143984e+03 3.981832551e+02 9.488636818e+02 1.34 1.981555602e+03 8.300399979e+02 1.551576681e+03 1.971217133e+03 1.959599815e+03 2.987483416e+02 8.778996116e+02 1.736745412e+03 3.531176088e+02 8.281864391e+02 1.36 1.796551997e+03 7.407417895e+02 1.405807611e+03 1.783956189e+03 1.772895224e+03 2.719346978e+02 7.750885695e+02 1.565635727e+03 3.142199573e+02 7.201852446e+02 1.38 1.624080650e+03 6.611726949e+02 1.281012061e+03 1.612330741e+03 1.602787521e+03 2.481412451e+02 6.832372540e+02 1.407308280e+03 2.799217393e+02 6.258993569e+02 1.40 1.464320529e+03 5.895055077e+02 1.171762931e+03 1.455259914e+03 1.447231516e+03 2.271305418e+02 6.003132760e+02 1.261882180e+03 2.496262085e+02 5.454393813e+02 1.42 1.317001957e+03 5.242701989e+02 1.069419881e+03 1.310570976e+03 1.304389549e+03 2.072055729e+02 5.246488041e+02 1.127613823e+03 2.230690650e+02 4.780616838e+02 1.44 1.181346560e+03 4.648446437e+02 9.717803498e+02 1.177443381e+03 1.173711677e+03 1.880189213e+02 4.567642922e+02 1.002858603e+03 2.001134114e+02 4.219915265e+02 1.46 1.054668414e+03 4.111292875e+02 8.785270714e+02 1.053993418e+03 1.053493295e+03 1.696323481e+02 3.965262360e+02 8.878412867e+02 1.798918037e+02 3.719881229e+02 1.48 9.365141313e+02 3.631629923e+02 7.894617675e+02 9.396943252e+02 9.430518273e+02 1.521169300e+02 3.434955916e+02 7.860951918e+02 1.615136161e+02 3.269652480e+02 1.50 8.272881057e+02 3.209099409e+02 7.045888526e+02 8.332987473e+02 8.394845840e+02 1.355861614e+02 2.971540845e+02 6.975586722e+02 1.448117792e+02 2.868149189e+02 1.52 7.310228834e+02 2.837748691e+02 6.265409863e+02 7.385457679e+02 7.462367470e+02 1.206228962e+02 2.577970380e+02 6.207724037e+02 1.297928909e+02 2.525823347e+02 1.54 6.503516925e+02 2.513062027e+02 5.564187702e+02 6.581124430e+02 6.660300913e+02 1.071780409e+02 2.251376967e+02 5.555467244e+02 1.165417500e+02 2.249057244e+02 1.56 5.837995361e+02 2.218677194e+02 4.932892056e+02 5.905839118e+02 5.975100566e+02 9.493964345e+01 1.978478096e+02 5.005412311e+02 1.049740634e+02 2.032587890e+02 1.58 5.284588078e+02 1.951752659e+02 4.366615866e+02 5.334973449e+02 5.386600846e+02 8.381689168e+01 1.754694346e+02 4.529080641e+02 9.494213904e+01 1.863007779e+02 1.60 4.792128895e+02 1.707589434e+02 3.860549806e+02 4.827463490e+02 4.863891703e+02 7.372362539e+01 1.575376706e+02 4.099197110e+02 8.614201099e+01 1.713164576e+02 1.62 4.348762399e+02 1.486293461e+02 3.409551438e+02 4.372015454e+02 4.396240719e+02 6.457017227e+01 1.429316606e+02 3.708082108e+02 7.809313233e+01 1.578570013e+02 1.64 3.945837896e+02 1.287416501e+02 3.007553436e+02 3.959608947e+02 3.974254660e+02 5.624333553e+01 1.305816206e+02 3.350494016e+02 7.068864459e+01 1.456250818e+02 1.66 3.576632644e+02 1.110216023e+02 2.649128200e+02 3.582957021e+02 3.590079818e+02 4.863585452e+01 1.201628963e+02 3.022498543e+02 6.383892393e+01 1.343769353e+02 1.68 3.237479343e+02 9.539188839e+01 2.330213698e+02 3.237474115e+02 3.238200371e+02 4.165800712e+01 1.113162438e+02 2.721187054e+02 5.746381402e+01 1.239556437e+02 1.70 2.925379358e+02 8.175905393e+01 2.047148643e+02 2.919371742e+02 2.914017437e+02 3.524032372e+01 1.030660713e+02 2.445772807e+02 5.149406647e+01 1.142275968e+02 1.72 2.637827053e+02 7.000419454e+01 1.795797270e+02 2.625481696e+02 2.613709373e+02 2.932747327e+01 9.512516416e+01 2.190832876e+02 4.587698967e+01 1.050934721e+02 1.74 2.373349693e+02 5.999129584e+01 1.573676894e+02 2.354160500e+02 2.335478052e+02 2.391420091e+01 8.744255423e+01 1.952970926e+02 4.057541442e+01 9.650218485e+01 1.76 2.131989762e+02 5.154462264e+01 1.380612672e+02 2.106212565e+02 2.080885383e+02 1.905901451e+01 8.005842097e+01 1.733141958e+02 3.559545517e+01 8.845324736e+01 1.78 1.905279996e+02 4.426505264e+01 1.211875136e+02 1.876157932e+02 1.847438787e+02 1.481351883e+01 7.304253891e+01 1.528996586e+02 3.096411696e+01 8.067060156e+01 1.80 1.692667080e+02 3.803772630e+01 1.067223875e+02 1.664067573e+02 1.635832879e+02 1.120215372e+01 6.645406838e+01 1.340441347e+02 2.670835883e+01 7.314217163e+01 1.82 1.494690517e+02 3.279794428e+01 9.469390749e+01 1.470567742e+02 1.446768323e+02 8.225632131e+00 6.033795533e+01 1.167737162e+02 2.282580436e+01 6.589828788e+01 1.84 1.311614864e+02 2.848891655e+01 8.477441637e+01 1.294923689e+02 1.278509744e+02 5.795813394e+00 5.456621204e+01 1.011126775e+02 1.923612259e+01 5.896298379e+01 1.86 1.143642431e+02 2.507566123e+01 7.569550133e+01 1.133501750e+02 1.123591294e+02 3.635571042e+00 4.909934379e+01 8.710312622e+01 1.594777277e+01 5.236582262e+01 1.88 9.909594993e+01 2.247924416e+01 6.735459075e+01 9.862237591e+01 9.816730639e+01 1.727842134e+00 4.395349132e+01 7.475985830e+01 1.295313573e+01 4.614323778e+01 1.90 8.535928695e+01 2.031736202e+01 5.976039222e+01 8.532386280e+01 8.530266828e+01 7.092280450e-02 3.913439363e+01 6.410192680e+01 1.025570626e+01 4.032805577e+01 1.92 7.319827480e+01 1.849856626e+01 5.290429460e+01 7.350244771e+01 7.381690803e+01 -1.349851023e+00 3.464204467e+01 5.512270756e+01 7.854818595e+00 3.496131906e+01 1.94 6.268569682e+01 1.700633567e+01 4.676801652e+01 6.322800740e+01 6.377713328e+01 -2.055119021e+00 3.047555705e+01 4.776699652e+01 5.745508241e+00 3.008762950e+01 1.96 5.383766472e+01 1.574510465e+01 4.132495362e+01 5.451869998e+01 5.520368256e+01 -2.430152227e+00 2.663613456e+01 4.180488154e+01 3.903024685e+00 2.573283660e+01 1.98 4.658460705e+01 1.459819646e+01 3.651908995e+01 4.730962266e+01 4.803643955e+01 -2.749205298e+00 2.311562614e+01 3.695061632e+01 2.263418574e+00 2.189023255e+01 2.00 4.082675904e+01 1.355944258e+01 3.228358716e+01 4.150588594e+01 4.218548136e+01 -3.049981769e+00 1.989857290e+01 3.313745182e+01 8.125464823e-01 1.853772610e+01 2.02 3.647562391e+01 1.262240764e+01 2.855933494e+01 3.702211720e+01 3.756861105e+01 -3.341290617e+00 1.697050175e+01 2.999572577e+01 -4.599305673e-01 1.565152472e+01 2.04 3.302416812e+01 1.175923815e+01 2.531352055e+01 3.340588504e+01 3.378760197e+01 -3.613821642e+00 1.432376177e+01 2.717131691e+01 -1.559922232e+00 1.310722021e+01 2.06 2.991735528e+01 1.093674952e+01 2.252359797e+01 3.016473962e+01 3.041212395e+01 -3.856667298e+00 1.194958641e+01 2.462978285e+01 -2.492066697e+00 1.077129118e+01 2.08 2.711911037e+01 1.014642842e+01 2.016553111e+01 2.726253562e+01 2.740596087e+01 -4.055746845e+00 9.839934709e+00 2.233753144e+01 -3.268462039e+00 8.637647372e+00 2.10 2.459633066e+01 9.379048224e+00 1.821955240e+01 2.466585893e+01 2.473538720e+01 -4.202792397e+00 7.985524476e+00 2.026292105e+01 -3.747702399e+00 6.698959178e+00 2.12 2.231886926e+01 8.626011776e+00 1.667049972e+01 2.234410220e+01 2.236933514e+01 -4.300520743e+00 6.370315596e+00 1.837800918e+01 -3.787005877e+00 4.947414568e+00 2.14 2.026028601e+01 7.879473758e+00 1.550657249e+01 2.027030593e+01 2.028032585e+01 -4.356935469e+00 4.971760779e+00 1.666469235e+01 -3.856890735e+00 3.375321188e+00 2.16 1.839650861e+01 7.133743151e+00 1.460824451e+01 1.840991867e+01 1.842332873e+01 -4.390392587e+00 3.714442017e+00 1.510828566e+01 -3.893126092e+00 1.974636486e+00 2.18 1.670475909e+01 6.387414181e+00 1.375975636e+01 1.672143302e+01 1.673810696e+01 -4.423139129e+00 2.561401309e+00 1.369414957e+01 -3.917942054e+00 7.354558306e-01 2.20 1.516670845e+01 5.640681517e+00 1.294574387e+01 1.518570119e+01 1.520469393e+01 -4.455621995e+00 1.503249954e+00 1.240880895e+01 -3.941891190e+00 -3.564291965e-01 2.22 1.376866755e+01 4.894472225e+00 1.215938344e+01 1.378871172e+01 1.380875588e+01 -4.487014269e+00 5.334245046e-01 1.124221786e+01 -3.965739204e+00 -1.315448592e+00 2.24 1.249591407e+01 4.149994302e+00 1.139429385e+01 1.251563443e+01 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