# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = MoTi2W # 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 2025-12-17 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 9.109759972e+02 9.109759972e+02 1.08 8.228074383e+02 8.228074383e+02 1.10 7.433910181e+02 7.433910181e+02 1.12 6.717729105e+02 6.717729105e+02 1.14 6.067536341e+02 6.067536341e+02 1.16 5.481840616e+02 5.481840616e+02 1.18 4.957105224e+02 4.957105224e+02 1.20 4.483471060e+02 4.483471060e+02 1.22 4.057610212e+02 4.057610212e+02 1.24 3.673270983e+02 3.673270983e+02 1.26 3.324665301e+02 3.324665301e+02 1.28 3.009394914e+02 3.009394914e+02 1.30 2.724776864e+02 2.724776864e+02 1.32 2.466157421e+02 2.466157421e+02 1.34 2.230751674e+02 2.230751674e+02 1.36 2.016731807e+02 2.016731807e+02 1.38 1.825003837e+02 1.825003837e+02 1.40 1.651747245e+02 1.651747245e+02 1.42 1.493979228e+02 1.493979228e+02 1.44 1.351615005e+02 1.351615005e+02 1.46 1.223979256e+02 1.223979256e+02 1.48 1.108868174e+02 1.108868174e+02 1.50 1.003574799e+02 1.003574799e+02 1.52 9.069931681e+01 9.069931681e+01 1.54 8.190107152e+01 8.190107152e+01 1.56 7.385136432e+01 7.385136432e+01 1.58 6.650548119e+01 6.650548119e+01 1.60 5.985629072e+01 5.985629072e+01 1.62 5.386357674e+01 5.386357674e+01 1.64 4.843499197e+01 4.843499197e+01 1.66 4.347556633e+01 4.347556633e+01 1.68 3.888652605e+01 3.888652605e+01 1.70 3.463766345e+01 3.463766345e+01 1.72 3.076437979e+01 3.076437979e+01 1.74 2.719646119e+01 2.719646119e+01 1.76 2.397429231e+01 2.397429231e+01 1.78 2.111293549e+01 2.111293549e+01 1.80 1.859710707e+01 1.859710707e+01 1.82 1.637810447e+01 1.637810447e+01 1.84 1.445612888e+01 1.445612888e+01 1.86 1.280043806e+01 1.280043806e+01 1.88 1.134672578e+01 1.134672578e+01 1.90 1.004275001e+01 1.004275001e+01 1.92 8.888722923e+00 8.888722923e+00 1.94 7.891245349e+00 7.891245349e+00 1.96 7.016649427e+00 7.016649427e+00 1.98 6.190635918e+00 6.190635918e+00 2.00 5.367513972e+00 5.367513972e+00 2.02 4.586447251e+00 4.586447251e+00 2.04 3.887367470e+00 3.887367470e+00 2.06 3.247654612e+00 3.247654612e+00 2.08 2.629192935e+00 2.629192935e+00 2.10 1.862679243e+00 1.862679243e+00 2.12 1.172810682e+00 1.172810682e+00 2.14 6.138371137e-01 6.138371137e-01 2.16 1.513742895e-01 1.513742895e-01 2.18 -2.451488498e-01 -2.451488498e-01 2.20 -6.038297908e-01 -6.038297908e-01 2.22 -9.300635380e-01 -9.300635380e-01 2.24 -1.171046933e+00 -1.171046933e+00 2.26 -1.361123346e+00 -1.361123346e+00 2.28 -1.740694101e+00 -1.740694101e+00 2.30 -2.141576185e+00 -2.141576185e+00 2.32 -2.508902122e+00 -2.508902122e+00 2.34 -2.879125560e+00 -2.879125560e+00 2.36 -3.271279853e+00 -3.271279853e+00 2.38 -3.666376338e+00 -3.666376338e+00 2.40 -4.030501882e+00 -4.030501882e+00 2.42 -4.343935444e+00 -4.343935444e+00 2.44 -4.615451799e+00 -4.615451799e+00 2.46 -4.865566934e+00 -4.865566934e+00 2.48 -5.104178695e+00 -5.104178695e+00 2.50 -5.303684252e+00 -5.303684252e+00 2.52 -5.476818159e+00 -5.476818159e+00 2.54 -5.621510330e+00 -5.621510330e+00 2.56 -5.737445976e+00 -5.737445976e+00 2.58 -5.840757958e+00 -5.840757958e+00 2.60 -5.942038279e+00 -5.942038279e+00 2.62 -6.053565681e+00 -6.053565681e+00 2.64 -6.159511426e+00 -6.159511426e+00 2.66 -6.247392076e+00 -6.247392076e+00 2.68 -6.309782588e+00 -6.309782588e+00 2.70 -6.345076784e+00 -6.345076784e+00 2.72 -6.360334198e+00 -6.360334198e+00 2.74 -6.362760303e+00 -6.362760303e+00 2.76 -6.361173731e+00 -6.361173731e+00 2.78 -6.360142062e+00 -6.360142062e+00 2.80 -6.355313107e+00 -6.355313107e+00 2.82 -6.335594819e+00 -6.335594819e+00 2.84 -6.296303597e+00 -6.296303597e+00 2.86 -6.246277201e+00 -6.246277201e+00 2.88 -6.193858363e+00 -6.193858363e+00 2.90 -6.144374333e+00 -6.144374333e+00 2.92 -6.096117520e+00 -6.096117520e+00 2.94 -6.047012958e+00 -6.047012958e+00 2.96 -6.000488506e+00 -6.000488506e+00 2.98 -5.949476779e+00 -5.949476779e+00 3.00 -5.890736685e+00 -5.890736685e+00 3.02 -5.832615738e+00 -5.832615738e+00 3.04 -5.769825540e+00 -5.769825540e+00 3.06 -5.702345063e+00 -5.702345063e+00 3.08 -5.626980254e+00 -5.626980254e+00 3.10 -5.561933502e+00 -5.561933502e+00 3.12 -5.496373877e+00 -5.496373877e+00 3.14 -5.424525264e+00 -5.424525264e+00 3.16 -5.348451960e+00 -5.348451960e+00 3.18 -5.264967776e+00 -5.264967776e+00 3.20 -5.184268482e+00 -5.184268482e+00 3.22 -5.120330644e+00 -5.120330644e+00 3.24 -5.083583072e+00 -5.083583072e+00 3.26 -5.056055132e+00 -5.056055132e+00 3.28 -5.028220024e+00 -5.028220024e+00 3.30 -4.995971487e+00 -4.995971487e+00 3.32 -4.954624722e+00 -4.954624722e+00 3.34 -4.900115687e+00 -4.900115687e+00 3.36 -4.810227659e+00 -4.810227659e+00 3.38 -4.679936665e+00 -4.679936665e+00 3.40 -4.524472803e+00 -4.524472803e+00 3.42 -4.360971491e+00 -4.360971491e+00 3.44 -4.187720700e+00 -4.187720700e+00 3.46 -4.005010831e+00 -4.005010831e+00 3.48 -3.832576892e+00 -3.832576892e+00 3.50 -3.664914281e+00 -3.664914281e+00 3.52 -3.501397943e+00 -3.501397943e+00 3.54 -3.346711497e+00 -3.346711497e+00 3.56 -3.205500369e+00 -3.205500369e+00 3.58 -3.078645730e+00 -3.078645730e+00 3.60 -2.964381424e+00 -2.964381424e+00 3.62 -2.859109270e+00 -2.859109270e+00 3.64 -2.755256359e+00 -2.755256359e+00 3.66 -2.648877887e+00 -2.648877887e+00 3.68 -2.541846662e+00 -2.541846662e+00 3.70 -2.436790259e+00 -2.436790259e+00 3.72 -2.337733009e+00 -2.337733009e+00 3.74 -2.250413886e+00 -2.250413886e+00 3.76 -2.180454551e+00 -2.180454551e+00 3.78 -2.132296419e+00 -2.132296419e+00 3.80 -2.108752107e+00 -2.108752107e+00 3.82 -2.094974523e+00 -2.094974523e+00 3.84 -2.082598455e+00 -2.082598455e+00 3.86 -2.069176846e+00 -2.069176846e+00 3.88 -2.053944904e+00 -2.053944904e+00 3.90 -2.040097529e+00 -2.040097529e+00 3.92 -2.024971723e+00 -2.024971723e+00 3.94 -2.002521744e+00 -2.002521744e+00 3.96 -1.975227312e+00 -1.975227312e+00 3.98 -1.949474419e+00 -1.949474419e+00 4.00 -1.928510849e+00 -1.928510849e+00 4.02 -1.911996832e+00 -1.911996832e+00 4.04 -1.898179530e+00 -1.898179530e+00 4.06 -1.885877162e+00 -1.885877162e+00 4.08 -1.873862092e+00 -1.873862092e+00 4.10 -1.860994417e+00 -1.860994417e+00 4.12 -1.846934090e+00 -1.846934090e+00 4.14 -1.832297225e+00 -1.832297225e+00 4.16 -1.817903150e+00 -1.817903150e+00 4.18 -1.804647447e+00 -1.804647447e+00 4.20 -1.793468945e+00 -1.793468945e+00 4.22 -1.785330264e+00 -1.785330264e+00 4.24 -1.780165508e+00 -1.780165508e+00 4.26 -1.777078206e+00 -1.777078206e+00 4.28 -1.775104628e+00 -1.775104628e+00 4.30 -1.773228004e+00 -1.773228004e+00 4.32 -1.770336181e+00 -1.770336181e+00 4.34 -1.765411016e+00 -1.765411016e+00 4.36 -1.758580931e+00 -1.758580931e+00 4.38 -1.750417054e+00 -1.750417054e+00 4.40 -1.741458450e+00 -1.741458450e+00 4.42 -1.732234372e+00 -1.732234372e+00 4.44 -1.723281126e+00 -1.723281126e+00 4.46 -1.714930400e+00 -1.714930400e+00 4.48 -1.706857304e+00 -1.706857304e+00 4.50 -1.698996671e+00 -1.698996671e+00 4.52 -1.691362903e+00 -1.691362903e+00 4.54 -1.683958616e+00 -1.683958616e+00 4.56 -1.676775244e+00 -1.676775244e+00 4.58 -1.669631910e+00 -1.669631910e+00 4.60 -1.662040025e+00 -1.662040025e+00 4.62 -1.653283682e+00 -1.653283682e+00 4.64 -1.642315647e+00 -1.642315647e+00 4.66 -1.628109923e+00 -1.628109923e+00 4.68 -1.609725486e+00 -1.609725486e+00 4.70 -1.586911946e+00 -1.586911946e+00 4.72 -1.560269220e+00 -1.560269220e+00 4.74 -1.530524341e+00 -1.530524341e+00 4.76 -1.498559554e+00 -1.498559554e+00 4.78 -1.465402079e+00 -1.465402079e+00 4.80 -1.432022426e+00 -1.432022426e+00 4.82 -1.398800455e+00 -1.398800455e+00 4.84 -1.365625465e+00 -1.365625465e+00 4.86 -1.332421612e+00 -1.332421612e+00 4.88 -1.299221892e+00 -1.299221892e+00 4.90 -1.266026009e+00 -1.266026009e+00 4.92 -1.232843058e+00 -1.232843058e+00 4.94 -1.200237407e+00 -1.200237407e+00 4.96 -1.169082282e+00 -1.169082282e+00 4.98 -1.140216919e+00 -1.140216919e+00 5.00 -1.114439739e+00 -1.114439739e+00 5.02 -1.092354135e+00 -1.092354135e+00 5.04 -1.074077626e+00 -1.074077626e+00 5.06 -1.058335287e+00 -1.058335287e+00 5.08 -1.043417953e+00 -1.043417953e+00 5.10 -1.027797576e+00 -1.027797576e+00 5.12 -1.010546000e+00 -1.010546000e+00 5.14 -9.909642249e-01 -9.909642249e-01 5.16 -9.684757959e-01 -9.684757959e-01 5.18 -9.432158163e-01 -9.432158163e-01 5.20 -9.155083575e-01 -9.155083575e-01 5.22 -8.857899263e-01 -8.857899263e-01 5.24 -8.546975150e-01 -8.546975150e-01 5.26 -8.221780067e-01 -8.221780067e-01 5.28 -7.867343521e-01 -7.867343521e-01 5.30 -7.454533854e-01 -7.454533854e-01 5.32 -6.975662493e-01 -6.975662493e-01 5.34 -6.502328109e-01 -6.502328109e-01 5.36 -6.181363001e-01 -6.181363001e-01 5.38 -6.027725932e-01 -6.027725932e-01 5.40 -5.851490461e-01 -5.851490461e-01 5.42 -5.630823457e-01 -5.630823457e-01 5.44 -5.374039297e-01 -5.374039297e-01 5.46 -5.090884055e-01 -5.090884055e-01 5.48 -4.791469165e-01 -4.791469165e-01 5.50 -4.486323662e-01 -4.486323662e-01 5.52 -4.186286100e-01 -4.186286100e-01 5.54 -3.901900979e-01 -3.901900979e-01 5.56 -3.635840141e-01 -3.635840141e-01 5.58 -3.384272939e-01 -3.384272939e-01 5.60 -3.142989073e-01 -3.142989073e-01 5.62 -2.907706641e-01 -2.907706641e-01 5.64 -2.674149794e-01 -2.674149794e-01 5.66 -2.437616906e-01 -2.437616906e-01 5.68 -2.194343280e-01 -2.194343280e-01 5.70 -1.951659227e-01 -1.951659227e-01 5.72 -1.722785268e-01 -1.722785268e-01 5.74 -1.520936001e-01 -1.520936001e-01 5.76 -1.358635597e-01 -1.358635597e-01 5.78 -1.247400551e-01 -1.247400551e-01 5.80 -1.197602106e-01 -1.197602106e-01 5.82 -1.213023126e-01 -1.213023126e-01 5.84 -1.280359716e-01 -1.280359716e-01 5.86 -1.383496951e-01 -1.383496951e-01 5.88 -1.507477332e-01 -1.507477332e-01 5.90 -1.638768612e-01 -1.638768612e-01 5.92 -1.765106921e-01 -1.765106921e-01 5.94 -1.874485292e-01 -1.874485292e-01 5.96 -1.954858608e-01 -1.954858608e-01 5.98 -1.997324547e-01 -1.997324547e-01 6.00 -1.991754494e-01 -1.991754494e-01