# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Plummer-G-Tucker-G-J--Ti-Si-C # implementation = 2019--Plummer-G--Ti-Si-C--LAMMPS--ipr1 # composition = C # 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 1.304793293e+03 nan nan 1.526128559e+03 nan 0.52 nan nan nan nan nan 1.129909029e+03 nan nan 1.319377127e+03 nan 0.54 nan 1.620535684e+03 nan nan nan 9.809263544e+02 1.654683991e+03 nan 1.144083799e+03 1.631871398e+03 0.56 nan 1.415240493e+03 nan nan nan 8.532581906e+02 1.446211012e+03 nan 9.944940967e+02 1.425807097e+03 0.58 nan 1.238214811e+03 1.714382829e+03 nan nan 7.438087559e+02 1.267008956e+03 nan 8.664123122e+02 1.250327908e+03 0.60 1.679915326e+03 1.086876155e+03 1.510286196e+03 1.680384466e+03 1.681271798e+03 6.501392343e+02 1.113440102e+03 1.562550318e+03 7.563284215e+02 1.099248441e+03 0.62 1.488520407e+03 9.562237446e+02 1.335987924e+03 1.487578852e+03 1.487810914e+03 5.700558462e+02 9.809051211e+02 1.382633328e+03 6.618811465e+02 9.677302343e+02 0.64 1.320857439e+03 8.428627472e+02 1.185712201e+03 1.319975889e+03 1.319485501e+03 5.013792525e+02 8.653520238e+02 1.225525371e+03 5.809095663e+02 8.526273024e+02 0.66 1.174011613e+03 7.442781595e+02 1.053488384e+03 1.173667190e+03 1.172762260e+03 4.416504975e+02 7.635026897e+02 1.088427226e+03 5.109700398e+02 7.524074472e+02 0.68 1.045723628e+03 6.578988301e+02 9.363865775e+02 1.045816766e+03 1.045088342e+03 3.885946343e+02 6.741048435e+02 9.690514006e+02 4.505998430e+02 6.650870025e+02 0.70 9.339563474e+02 5.820994409e+02 8.333060745e+02 9.340435223e+02 9.339108225e+02 3.416664134e+02 5.962870316e+02 8.641504696e+02 3.979355070e+02 5.893480921e+02 0.72 8.350466397e+02 5.149159126e+02 7.435749250e+02 8.349928077e+02 8.353990614e+02 3.010272235e+02 5.288201085e+02 7.705837596e+02 3.513175925e+02 5.239924234e+02 0.74 7.461593659e+02 4.554885478e+02 6.642521100e+02 7.464526163e+02 7.471864279e+02 2.660697797e+02 4.703589341e+02 6.871224222e+02 3.099994238e+02 4.671150705e+02 0.76 6.668185770e+02 4.036269770e+02 5.930149200e+02 6.675182257e+02 6.683136492e+02 2.358692953e+02 4.190546774e+02 6.131824737e+02 2.735430480e+02 4.172288188e+02 0.78 5.964879997e+02 3.588696691e+02 5.291206605e+02 5.973178914e+02 5.980045282e+02 2.093911338e+02 3.735660464e+02 5.483327658e+02 2.414069618e+02 3.723859396e+02 0.80 5.348056762e+02 3.202630487e+02 4.721234606e+02 5.353540115e+02 5.356460087e+02 1.857535182e+02 3.333127210e+02 4.917889355e+02 2.132057433e+02 3.318143654e+02 0.82 4.813671676e+02 2.859227794e+02 4.219022718e+02 4.810674497e+02 4.807168974e+02 1.647354132e+02 2.976578317e+02 4.418470391e+02 1.883661655e+02 2.955099443e+02 0.84 4.337215714e+02 2.546687957e+02 3.782913973e+02 4.328493870e+02 4.320545767e+02 1.461611065e+02 2.659953015e+02 3.970058064e+02 1.663160882e+02 2.631509898e+02 0.86 3.902735685e+02 2.262727708e+02 3.402455918e+02 3.893411273e+02 3.884397914e+02 1.300280691e+02 2.377035768e+02 3.564901876e+02 1.466196578e+02 2.339427974e+02 0.88 3.509541648e+02 2.007566158e+02 3.063597004e+02 3.502099137e+02 3.494657046e+02 1.157895974e+02 2.119495481e+02 3.200539563e+02 1.292332087e+02 2.080226679e+02 0.90 3.155374392e+02 1.781245232e+02 2.760160450e+02 3.151627634e+02 3.147880740e+02 1.031887144e+02 1.884715882e+02 2.874478415e+02 1.141046637e+02 1.849064345e+02 0.92 2.838266946e+02 1.583815835e+02 2.489012783e+02 2.838866008e+02 2.839464765e+02 9.214042803e+01 1.670575077e+02 2.583289456e+02 1.008987913e+02 1.642323073e+02 0.94 2.555931057e+02 1.412596377e+02 2.245862297e+02 2.559682797e+02 2.563434503e+02 8.249362418e+01 1.478160599e+02 2.322300375e+02 8.937849658e+01 1.460346411e+02 0.96 2.304452530e+02 1.261065782e+02 2.024774324e+02 2.310262225e+02 2.316072136e+02 7.390281323e+01 1.306552407e+02 2.089301905e+02 7.932803642e+01 1.303169965e+02 0.98 2.079295520e+02 1.125147339e+02 1.822208209e+02 2.085957349e+02 2.092619439e+02 6.612076528e+01 1.155724793e+02 1.880317467e+02 7.052247521e+01 1.166287349e+02 1.00 1.874746011e+02 1.002159052e+02 1.632829351e+02 1.880809250e+02 1.886872780e+02 5.885041573e+01 1.024662980e+02 1.692020531e+02 6.259855795e+01 1.042359214e+02 1.02 1.690059126e+02 8.889202363e+01 1.457763733e+02 1.694388522e+02 1.698718206e+02 5.212220267e+01 9.106608494e+01 1.523549355e+02 5.543367856e+01 9.308519412e+01 1.04 1.524461592e+02 7.849898574e+01 1.297746480e+02 1.526270513e+02 1.528079667e+02 4.595633566e+01 8.117533268e+01 1.373264093e+02 4.897413868e+01 8.313287561e+01 1.06 1.377039870e+02 6.893981315e+01 1.153148955e+02 1.375890382e+02 1.374741012e+02 4.035630155e+01 7.230492472e+01 1.237519707e+02 4.312399752e+01 7.433026515e+01 1.08 1.245185728e+02 6.022752857e+01 1.024842011e+02 1.241283795e+02 1.237381832e+02 3.534446123e+01 6.438070304e+01 1.111500290e+02 3.786804866e+01 6.655167592e+01 1.10 1.121100620e+02 5.221672784e+01 9.127498450e+01 1.116051005e+02 1.111001351e+02 3.099511753e+01 5.735879099e+01 9.934688333e+01 3.320064521e+01 5.940117652e+01 1.12 1.004316185e+02 4.491995777e+01 8.178389195e+01 9.998684274e+01 9.954207733e+01 2.740412987e+01 5.117308950e+01 8.837155575e+01 2.910147494e+01 5.279614112e+01 1.14 8.954429329e+01 3.855546372e+01 7.367069117e+01 8.926909926e+01 8.899392896e+01 2.440521560e+01 4.562329720e+01 7.823837792e+01 2.547845634e+01 4.673438161e+01 1.16 7.945823332e+01 3.331527012e+01 6.606419486e+01 7.934399717e+01 7.922978652e+01 2.151853487e+01 4.053588542e+01 6.895824590e+01 2.219424568e+01 4.121076734e+01 1.18 7.016779600e+01 2.879708502e+01 5.890402114e+01 7.020654709e+01 7.024531702e+01 1.871908562e+01 3.588119542e+01 6.062001914e+01 1.921139750e+01 3.622581250e+01 1.20 6.173120680e+01 2.497362848e+01 5.220501006e+01 6.190956892e+01 6.208794495e+01 1.600382402e+01 3.164170608e+01 5.342913476e+01 1.654212524e+01 3.179263412e+01 1.22 5.436159519e+01 2.164213079e+01 4.596727419e+01 5.462520418e+01 5.488882827e+01 1.330263894e+01 2.780078508e+01 4.738444081e+01 1.413360528e+01 2.793191894e+01 1.24 4.837001319e+01 1.873916129e+01 4.019042242e+01 4.860086615e+01 4.883173117e+01 1.044445762e+01 2.434386786e+01 4.239009035e+01 1.195708462e+01 2.464859739e+01 1.26 4.343305311e+01 1.619498230e+01 3.490025067e+01 4.356241260e+01 4.369177751e+01 7.104934278e+00 2.125893919e+01 3.787074487e+01 9.951674923e+00 2.181022170e+01 1.28 3.894485400e+01 1.391729466e+01 3.017763306e+01 3.899903135e+01 3.905321041e+01 2.805685356e+00 1.849110143e+01 3.372551237e+01 8.082183140e+00 1.925392619e+01 1.30 3.486441612e+01 1.188017664e+01 2.615477358e+01 3.487517199e+01 3.488592810e+01 -2.363391730e+00 1.594904824e+01 2.993259613e+01 6.363616339e+00 1.695238815e+01 1.32 3.113234814e+01 1.006034741e+01 2.292973746e+01 3.113215163e+01 3.113195511e+01 -4.969957768e+00 1.363696117e+01 2.645677432e+01 4.824759786e+00 1.485016981e+01 1.34 2.763021693e+01 8.436705759e+00 2.017282403e+01 2.763008588e+01 2.762995484e+01 -5.465568640e+00 1.149443311e+01 2.322148064e+01 3.394417162e+00 1.281924736e+01 1.36 2.434757148e+01 6.990128632e+00 1.767992833e+01 2.434753279e+01 2.434749409e+01 -5.887503283e+00 9.504305885e+00 2.021871227e+01 1.975264581e+00 1.087383398e+01 1.38 2.128270759e+01 5.703288111e+00 1.542756908e+01 2.128276862e+01 2.128282965e+01 -6.242960147e+00 7.661861090e+00 1.744843769e+01 5.710180766e-01 9.026237765e+00 1.40 1.843209906e+01 4.560485317e+00 1.339429532e+01 1.843224822e+01 1.843239737e+01 -6.538511166e+00 5.970217213e+00 1.491310580e+01 -7.485731637e-01 7.266277642e+00 1.42 1.579408007e+01 3.547499594e+00 1.156051267e+01 1.579429135e+01 1.579450263e+01 -6.780153894e+00 4.453105661e+00 1.261992580e+01 -1.809787408e+00 5.559583881e+00 1.44 1.337370726e+01 2.651451594e+00 9.908324371e+00 1.337394816e+01 1.337418906e+01 -6.973359386e+00 3.161370439e+00 1.057784995e+01 -2.393981158e+00 3.852635272e+00 1.46 1.118680531e+01 1.860678965e+00 8.421385912e+00 1.118704624e+01 1.118728716e+01 -7.123116178e+00 2.156746997e+00 8.758126019e+00 -2.694174741e+00 2.097718599e+00 1.48 9.259605163e+00 1.164623497e+00 7.084772108e+00 9.259827657e+00 9.260050150e+00 -7.233970653e+00 1.437424548e+00 7.158808109e+00 -2.948701106e+00 3.260774353e-01 1.50 7.620234569e+00 5.537286710e-01 5.884855471e+00 7.620435022e+00 7.620635474e+00 -7.310064124e+00 8.029738573e-01 5.788388812e+00 -3.162277642e+00 -1.221394798e+00 1.52 6.282485430e+00 1.482255035e-02 4.809194995e+00 6.282672238e+00 6.282859046e+00 -7.355166870e+00 2.052233779e-01 4.646000282e+00 -3.347411591e+00 -2.089855957e+00 1.54 5.155968349e+00 -4.835982602e-01 3.846434425e+00 5.156148079e+00 5.156327810e+00 -7.372709380e+00 -3.575422471e-01 3.669769173e+00 -3.519967450e+00 -2.455028231e+00 1.56 4.143470107e+00 -9.392317141e-01 2.986209202e+00 4.143643028e+00 4.143815950e+00 -7.365811040e+00 -8.913647829e-01 2.796405865e+00 -3.676349383e+00 -2.770617525e+00 1.58 3.234929859e+00 -1.347337775e+00 2.219061361e+00 3.235096230e+00 3.235262601e+00 -7.337306459e+00 -1.404743755e+00 2.016598675e+00 -3.813941093e+00 -3.041450370e+00 1.60 2.421142946e+00 -1.707939957e+00 1.536361687e+00 2.421303014e+00 2.421463083e+00 -7.289769635e+00 -1.905789306e+00 1.321840968e+00 -3.931601196e+00 -3.271855490e+00 1.62 1.693676192e+00 -2.026080213e+00 9.140607747e-01 1.693830197e+00 1.693984202e+00 -7.225536126e+00 -2.398177156e+00 7.043549812e-01 -4.029271838e+00 -3.465786236e+00 1.64 1.044804740e+00 -2.311270087e+00 3.293431669e-01 1.044952911e+00 1.045101082e+00 -7.146723396e+00 -2.876000397e+00 1.570309184e-01 -4.107286581e+00 -3.626851769e+00 1.66 4.674539974e-01 -2.575419964e+00 -2.131112562e-01 4.675965552e-01 4.677391131e-01 -7.055249486e+00 -3.318716566e+00 -3.266289285e-01 -4.165511353e+00 -3.758345713e+00 1.68 -4.485370321e-02 -2.820647794e+00 -7.118768493e-01 -4.471654573e-02 -4.457938824e-02 -6.952850135e+00 -3.689664993e+00 -7.525614335e-01 -4.202616838e+00 -3.863272459e+00 1.70 -4.980481248e-01 -3.026868367e+00 -1.168751739e+00 -4.979161631e-01 -4.977842013e-01 -6.841094488e+00 -3.943772362e+00 -1.126189653e+00 -4.215930541e+00 -3.944371328e+00 1.72 -8.975561667e-01 -3.161202490e+00 -1.587883388e+00 -8.974292040e-01 -8.973022412e-01 -6.721399508e+00 -4.047055391e+00 -1.452465950e+00 -4.202232438e+00 -4.004138754e+00 1.74 -1.248343251e+00 -3.184511519e+00 -1.974175800e+00 -1.248221098e+00 -1.248098945e+00 -6.595043177e+00 -4.063084627e+00 -1.735911549e+00 -4.159359035e+00 -4.044848653e+00 1.76 -1.554951347e+00 -3.078947366e+00 -2.330921463e+00 -1.554833821e+00 -1.554716295e+00 -6.463176616e+00 -4.065026834e+00 -1.980652814e+00 -4.091964164e+00 -4.068571122e+00 1.78 -1.821533905e+00 -2.922180636e+00 -2.656898956e+00 -1.821420831e+00 -1.821307758e+00 -6.326835186e+00 -4.054590317e+00 -2.190454517e+00 -4.018324735e+00 -4.077189614e+00 1.80 -2.051887955e+00 -2.757493243e+00 -2.943839458e+00 -2.051779165e+00 -2.051670375e+00 -6.186948666e+00 -4.032262361e+00 -2.369444089e+00 -3.940942438e+00 -4.072416687e+00 1.82 -2.249483588e+00 -2.599217633e+00 -3.176109878e+00 -2.249378919e+00 -2.249274250e+00 -6.044350580e+00 -3.999702024e+00 -2.531269082e+00 -3.860483479e+00 -4.055808478e+00 1.84 -2.417491038e+00 -2.459592511e+00 -3.334824427e+00 -2.417390334e+00 -2.417289630e+00 -5.899786742e+00 -3.959468552e+00 -2.673103425e+00 -3.777546732e+00 -4.028777971e+00 1.86 -2.561494559e+00 -2.340437531e+00 -3.405459173e+00 -2.561397830e+00 -2.561301101e+00 -5.742313029e+00 -3.909775516e+00 -2.787569609e+00 -3.686166481e+00 -3.988787311e+00 1.88 -2.693388169e+00 -2.210137651e+00 -3.406404733e+00 -2.693296336e+00 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