# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Wang-P-Xu-S-Liu-J-et-al--TWIP # implementation = 2017--Wang-P--TWIP--LAMMPS--ipr2 # composition = meta_TWIP # 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 nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan -2.574680277e+04 nan 0.76 nan nan nan nan nan nan nan nan -2.299706527e+04 nan 0.78 nan nan nan nan nan nan nan nan -2.053783356e+04 nan 0.80 nan nan nan nan nan -1.476632171e+04 nan nan -1.831672607e+04 nan 0.82 nan nan nan nan nan -1.303968514e+04 nan nan -1.629710228e+04 nan 0.84 nan nan nan nan nan -1.145852964e+04 nan nan -1.449250879e+04 nan 0.86 nan nan nan nan nan -1.000941100e+04 nan nan -1.285834051e+04 nan 0.88 nan nan nan nan nan -8.697948463e+03 nan nan -1.137623264e+04 nan 0.90 nan nan nan nan nan -7.498636235e+03 nan nan -1.001426488e+04 nan 0.92 nan -1.487532063e+04 nan -2.520704557e+04 -2.522562293e+04 -6.395696633e+03 nan nan -8.777460486e+03 -1.490756791e+04 0.94 nan -1.332674559e+04 nan -2.300625063e+04 -2.301549109e+04 -5.381707205e+03 -1.359559747e+04 nan -7.637026491e+03 -1.339904201e+04 0.96 nan -1.189574650e+04 nan -2.097096799e+04 -2.097370027e+04 -4.448576838e+03 -1.219267761e+04 nan -6.580780787e+03 -1.200053728e+04 0.98 nan -1.057487165e+04 nan -1.908912773e+04 -1.908755076e+04 -3.588860245e+03 -1.092249528e+04 nan -5.603041408e+03 -1.070433272e+04 1.00 nan -9.356827740e+03 nan -1.734935882e+04 -1.734482879e+04 -2.796954967e+03 -9.737504068e+03 nan -4.698137954e+03 -9.502092548e+03 1.02 nan -8.253898609e+03 nan -1.577145941e+04 -1.575438703e+04 -2.068066251e+03 -8.633411918e+03 nan -3.860542381e+03 -8.407390466e+03 1.04 -1.433171497e+04 -7.231493490e+03 -1.223948151e+04 -1.430586720e+04 -1.427950931e+04 -1.397409215e+03 -7.607556312e+03 -1.293391895e+04 -3.088695338e+03 -7.387620290e+03 1.06 -1.297740788e+04 -6.283145106e+03 -1.105261435e+04 -1.296074376e+04 -1.294357700e+04 -8.122860316e+02 -6.662973085e+03 -1.165322370e+04 -2.379644997e+03 -6.438020273e+03 1.08 -1.171770855e+04 -5.425519228e+03 -9.956129995e+03 -1.171165820e+04 -1.170525427e+04 -2.758346026e+02 -5.780674278e+03 -1.046383101e+04 -1.723602149e+03 -5.553272152e+03 1.10 -1.054527869e+04 -4.640702642e+03 -8.926419443e+03 -1.054697651e+04 -1.054851233e+04 2.240414116e+02 -4.956630405e+03 -9.358901009e+03 -1.113123473e+03 -4.728206645e+03 1.12 -9.454571634e+03 -3.915465872e+03 -7.960621272e+03 -9.461659990e+03 -9.468880026e+03 6.890610969e+02 -4.186556525e+03 -8.346777392e+03 -5.490310932e+02 -3.958756263e+03 1.14 -8.440287283e+03 -3.242045470e+03 -7.056002139e+03 -8.450967528e+03 -8.462162524e+03 1.120999684e+03 -3.466470390e+03 -7.414589250e+03 -2.920875481e+01 -3.240954917e+03 1.16 -7.518104051e+03 -2.609592481e+03 -6.209607272e+03 -7.528609727e+03 -7.539916248e+03 1.521700927e+03 -2.792586474e+03 -6.585997757e+03 4.557591474e+02 -2.578512200e+03 1.18 -6.706915005e+03 -2.018427939e+03 -5.418150215e+03 -6.711160169e+03 -6.716077701e+03 1.858641494e+03 -2.161748837e+03 -5.808914839e+03 9.079105258e+02 -1.976440097e+03 1.20 -5.937689305e+03 -1.461506860e+03 -4.677985591e+03 -5.937802805e+03 -5.938154635e+03 2.032587583e+03 -1.571254910e+03 -5.073645763e+03 1.329258356e+03 -1.410388366e+03 1.22 -5.208814819e+03 -9.370914470e+02 -3.984971244e+03 -5.206477492e+03 -5.203913673e+03 2.086513597e+03 -1.018537959e+03 -4.378715326e+03 1.721177013e+03 -8.784469264e+02 1.24 -4.519014975e+03 -4.434359699e+02 -3.362181474e+03 -4.517603009e+03 -4.515630015e+03 2.033749620e+03 -5.125278612e+02 -3.722684978e+03 1.976648974e+03 -3.789091891e+02 1.26 -3.867076330e+03 2.130076855e+01 -2.779665458e+03 -3.867170344e+03 -3.866591121e+03 1.928784642e+03 -3.679196617e+01 -3.104000597e+03 2.076222580e+03 8.987292274e+01 1.28 -3.251540063e+03 4.589837837e+02 -2.226217560e+03 -3.252716826e+03 -3.253274992e+03 1.799566455e+03 4.102336153e+02 -2.521054600e+03 2.075349222e+03 5.296198413e+02 1.30 -2.670919178e+03 8.714273044e+02 -1.700891262e+03 -2.672724897e+03 -2.674098837e+03 1.658860685e+03 8.300484384e+02 -1.972112277e+03 2.008791814e+03 9.419075319e+02 1.32 -2.123618431e+03 1.260145007e+03 -1.202800754e+03 -2.125565506e+03 -2.127393347e+03 1.515319823e+03 1.224182622e+03 -1.455176011e+03 1.901354421e+03 1.328258885e+03 1.34 -1.607773877e+03 1.626605777e+03 -7.310238469e+02 -1.609469632e+03 -1.611373657e+03 1.374590708e+03 1.594115804e+03 -9.699037624e+02 1.769384131e+03 1.690297623e+03 1.36 -1.121379971e+03 1.905368636e+03 -2.845447138e+02 -1.122545609e+03 -1.124164292e+03 1.240126050e+03 1.902131785e+03 -5.151626495e+02 1.611824204e+03 1.957168225e+03 1.38 -6.622722498e+02 2.043591533e+03 1.377559412e+02 -6.627755312e+02 -6.638593082e+02 1.113816105e+03 2.051259258e+03 -8.476629394e+01 1.455183768e+03 2.087248491e+03 1.40 -2.280779896e+02 2.080688944e+03 5.371244030e+02 -2.280309032e+02 -2.285361119e+02 9.964719071e+02 2.088766508e+03 3.228986753e+02 1.304532339e+03 2.120328481e+03 1.42 1.782374028e+02 2.046864578e+03 9.148764777e+02 1.785864717e+02 1.785796323e+02 8.882220262e+02 2.055307903e+03 7.058238628e+02 1.162894655e+03 2.076507514e+03 1.44 5.531252011e+02 1.965034076e+03 1.272195274e+03 5.536002408e+02 5.539929025e+02 7.888402951e+02 1.974614665e+03 1.061878948e+03 1.031869668e+03 1.968560167e+03 1.46 9.102028860e+02 1.852426351e+03 1.610311426e+03 9.107405875e+02 9.114342067e+02 6.978597045e+02 1.864045483e+03 1.400417707e+03 9.120698359e+02 1.838091199e+03 1.48 1.250116727e+03 1.721820740e+03 1.881635311e+03 1.250727393e+03 1.251628745e+03 6.147015262e+02 1.736189632e+03 1.718392916e+03 8.034672875e+02 1.696373486e+03 1.50 1.573534231e+03 1.582540437e+03 2.029233846e+03 1.574213779e+03 1.575225955e+03 5.389594091e+02 1.600164111e+03 1.934122096e+03 7.057156045e+02 1.551371094e+03 1.52 1.844008480e+03 1.441289503e+03 2.084382423e+03 1.844511165e+03 1.845216642e+03 4.704249611e+02 1.462470787e+03 2.040916574e+03 6.182943063e+02 1.408580517e+03 1.54 1.997112093e+03 1.302762637e+03 2.072476306e+03 1.997370212e+03 1.997693264e+03 4.088397850e+02 1.327576644e+03 2.067945184e+03 5.404986100e+02 1.271639078e+03 1.56 2.060529484e+03 1.170142403e+03 2.013236909e+03 2.060570134e+03 2.060605297e+03 3.538713078e+02 1.198425334e+03 2.037630832e+03 4.715198449e+02 1.142778578e+03 1.58 2.058434071e+03 1.045511728e+03 1.921834820e+03 2.058317382e+03 2.058196960e+03 3.051328736e+02 1.076837540e+03 1.967155375e+03 4.105255917e+02 1.023196503e+03 1.60 2.009430899e+03 9.301538300e+02 1.809818039e+03 2.009265111e+03 2.009132078e+03 2.622056420e+02 9.637709116e+02 1.869658014e+03 3.567237574e+02 9.133650961e+02 1.62 1.927826606e+03 8.247141875e+02 1.685866888e+03 1.927746400e+03 1.927724377e+03 2.246548550e+02 8.506681966e+02 1.755164779e+03 3.093966547e+02 8.132531095e+02 1.64 1.824649078e+03 7.243813699e+02 1.556415471e+03 1.824752921e+03 1.824914945e+03 1.920434843e+02 7.481949092e+02 1.631272545e+03 2.630803124e+02 7.224932727e+02 1.66 1.708310292e+03 6.264929170e+02 1.426204845e+03 1.708639990e+03 1.709009430e+03 1.639391863e+02 6.559522602e+02 1.503639547e+03 2.211963641e+02 6.405074483e+02 1.68 1.585143516e+03 5.404582477e+02 1.298665255e+03 1.585687212e+03 1.586251623e+03 1.399235506e+02 5.734782523e+02 1.376391702e+03 1.853108499e+02 5.666075010e+02 1.70 1.459844406e+03 4.654014647e+02 1.176240276e+03 1.460555225e+03 1.461276198e+03 1.196115590e+02 5.002302142e+02 1.252463916e+03 1.547968503e+02 5.000717745e+02 1.72 1.335864177e+03 4.003672331e+02 1.060613493e+03 1.336682505e+03 1.337504577e+03 1.026472958e+02 4.355756838e+02 1.133917523e+03 1.290640867e+02 4.402583860e+02 1.74 1.215757867e+03 3.443711906e+02 9.475258262e+02 1.216616808e+03 1.217473785e+03 8.868989338e+01 3.788253301e+02 1.022170197e+03 1.075645266e+02 3.867169023e+02 1.76 1.101321744e+03 2.964366115e+02 8.364277451e+02 1.102147953e+03 1.102968286e+03 7.741394745e+01 3.292657079e+02 9.180860241e+02 8.979605159e+01 3.390396918e+02 1.78 9.937298772e+02 2.556204657e+02 7.360541947e+02 9.944502934e+02 9.951630367e+02 6.851283121e+01 2.861855925e+02 8.220983368e+02 7.530118808e+01 2.968029262e+02 1.80 8.936745455e+02 2.139212530e+02 6.460795494e+02 8.942342812e+02 8.947864012e+02 6.170028824e+01 2.488943751e+02 7.343231443e+02 6.366241962e+01 2.595757451e+02 1.82 8.014767862e+02 1.736726003e+02 5.659907939e+02 8.018459939e+02 8.022089500e+02 5.671061792e+01 2.167355041e+02 6.546576937e+02 5.450113009e+01 2.269299019e+02 1.84 7.171787832e+02 1.400657739e+02 4.951536690e+02 7.173506201e+02 7.175180333e+02 5.329900550e+01 1.890969236e+02 5.828305392e+02 4.747803712e+01 1.984488815e+02 1.86 6.406181292e+02 1.122149266e+02 4.328740854e+02 6.406067130e+02 6.405927355e+02 5.124409170e+01 1.654238799e+02 5.184518323e+02 4.228890392e+01 1.737348276e+02 1.88 5.714933590e+02 8.932336730e+01 3.784243204e+02 5.713302203e+02 5.711663326e+02 5.030972301e+01 1.452174332e+02 4.610546874e+02 3.866322306e+01 1.524151237e+02 1.90 5.094206364e+02 7.067718331e+01 3.310642678e+02 5.091468666e+02 5.088739986e+02 4.961770937e+01 1.251718229e+02 4.101388731e+02 3.636293835e+01 1.341495349e+02 1.92 4.539877260e+02 5.564555759e+01 2.900631779e+02 4.536412121e+02 4.532969087e+02 4.886709096e+01 1.071734682e+02 3.651949271e+02 3.517979516e+01 1.186360822e+02 1.94 4.047415400e+02 4.367137611e+01 2.547155186e+02 4.043546762e+02 4.039709319e+02 4.806963707e+01 9.205533038e+01 3.256921532e+02 3.461216105e+01 1.055919286e+02 1.96 3.612007739e+02 3.426890095e+01 2.243524508e+02 3.608005402e+02 3.604039033e+02 4.723392520e+01 7.948481472e+01 2.761544423e+02 3.402019225e+01 9.475051719e+01 1.98 3.228736335e+02 2.702807393e+01 1.983512215e+02 3.224818062e+02 3.220935883e+02 4.636700713e+01 6.916641853e+01 2.332127887e+02 3.339435905e+01 8.586272878e+01 2.00 2.891685644e+02 2.160029655e+01 1.760741755e+02 2.888024821e+02 2.884395253e+02 4.544293972e+01 6.079704541e+01 1.963651129e+02 3.271725373e+01 7.864600669e+01 2.02 2.377563288e+02 1.496082122e+01 1.424372521e+02 2.374294513e+02 2.371047635e+02 3.718423660e+01 4.684860666e+01 1.576538952e+02 2.653270338e+01 6.195972477e+01 2.04 1.934398458e+02 1.000820077e+01 1.138175257e+02 1.931618353e+02 1.928848904e+02 3.001478396e+01 3.552048472e+01 1.248734183e+02 2.116046356e+01 4.823673470e+01 2.06 1.555784442e+02 6.490101205e+00 8.966188751e+01 1.553546402e+02 1.551308774e+02 2.386450449e+01 2.653980416e+01 9.737410907e+01 1.654956165e+01 3.719170422e+01 2.08 1.234758098e+02 4.107470491e+00 6.941312668e+01 1.233076882e+02 1.231388288e+02 1.863301912e+01 1.962276215e+01 7.452645525e+01 1.262615279e+01 2.851357012e+01 2.10 9.648098445e+01 2.287765634e+00 5.258205803e+01 9.636704178e+01 9.625189474e+01 1.422383667e+01 1.449285744e+01 5.574966541e+01 9.319294454e+00 2.185196344e+01 2.12 7.399198015e+01 8.195195218e-01 3.874993283e+01 7.392795289e+01 7.386251502e+01 1.054457561e+01 1.045164564e+01 4.051143320e+01 6.560773098e+00 1.639663121e+01 2.14 5.545846341e+01 -3.654327134e-01 2.754075360e+01 5.543678993e+01 5.541367913e+01 7.507327512e+00 7.145708942e+00 2.832772691e+01 4.285462561e+00 1.187538070e+01 2.16 4.037512562e+01 -1.321376485e+00 1.861284871e+01 4.038594794e+01 4.039540624e+01 5.029424287e+00 4.474199382e+00 1.876004696e+01 2.431918276e+00 8.176129242e+00 2.18 2.827932595e+01 -2.084116177e+00 1.165937502e+01 2.831193455e+01 2.834332903e+01 3.036048529e+00 2.344478308e+00 1.141368971e+01 9.446765438e-01 5.193036334e+00 2.20 1.875008278e+01 -2.680776320e+00 6.405610168e+00 1.879410388e+01 1.883714784e+01 1.458759993e+00 6.717705619e-01 5.935797807e+00 -2.268617076e-01 2.826817640e+00 2.22 1.140683900e+01 -3.136494975e+00 2.607257104e+00 1.145370615e+01 1.149992915e+01 2.343480652e-01 -6.198413077e-01 2.013788118e+00 -1.129681029e+00 9.849996685e-01 2.24 5.907916745e+00 -3.474332492e+00 4.698107467e-02 5.951831854e+00 5.995499624e+00 -6.951912138e-01 -1.598159982e+00 -6.263630171e-01 -1.807139181e+00 -4.180549096e-01 2.26 1.949119193e+00 -3.715123747e+00 -1.472108944e+00 1.986650450e+00 2.024302706e+00 -1.382573168e+00 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