# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Nitol-M-S-Mishra-A-Xu-S-Fensin-S-J--Al-Ti-V # implementation = 2025--Nitol-M-S--Al-Ti-V--LAMMPS--ipr1 # composition = AlTi2V # 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 2026-06-16 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 -4.558215309e+05 -4.558215309e+05 1.08 -3.530168774e+05 -3.530168774e+05 1.10 -2.743036107e+05 -2.743036107e+05 1.12 -2.149122013e+05 -2.149122013e+05 1.14 -1.695917873e+05 -1.695917873e+05 1.16 -1.337907711e+05 -1.337907711e+05 1.18 -1.056357594e+05 -1.056357594e+05 1.20 -8.340535738e+04 -8.340535738e+04 1.22 -6.553020514e+04 -6.553020514e+04 1.24 -5.142235403e+04 -5.142235403e+04 1.26 -4.070900272e+04 -4.070900272e+04 1.28 -3.266538950e+04 -3.266538950e+04 1.30 -2.623618094e+04 -2.623618094e+04 1.32 -2.105352845e+04 -2.105352845e+04 1.34 -1.692984954e+04 -1.692984954e+04 1.36 -1.375591647e+04 -1.375591647e+04 1.38 -1.122058407e+04 -1.122058407e+04 1.40 -9.112420377e+03 -9.112420377e+03 1.42 -7.368676941e+03 -7.368676941e+03 1.44 -5.940810220e+03 -5.940810220e+03 1.46 -4.793602044e+03 -4.793602044e+03 1.48 -3.887902829e+03 -3.887902829e+03 1.50 -3.156039133e+03 -3.156039133e+03 1.52 -2.551535992e+03 -2.551535992e+03 1.54 -2.055422149e+03 -2.055422149e+03 1.56 -1.646761269e+03 -1.646761269e+03 1.58 -1.314156399e+03 -1.314156399e+03 1.60 -1.050043366e+03 -1.050043366e+03 1.62 -8.479130504e+02 -8.479130504e+02 1.64 -6.982537029e+02 -6.982537029e+02 1.66 -5.820251336e+02 -5.820251336e+02 1.68 -4.837724814e+02 -4.837724814e+02 1.70 -4.007101490e+02 -4.007101490e+02 1.72 -3.304529054e+02 -3.304529054e+02 1.74 -2.705375319e+02 -2.705375319e+02 1.76 -2.195168433e+02 -2.195168433e+02 1.78 -1.764701338e+02 -1.764701338e+02 1.80 -1.406520166e+02 -1.406520166e+02 1.82 -1.114311870e+02 -1.114311870e+02 1.84 -8.824499719e+01 -8.824499719e+01 1.86 -7.057629352e+01 -7.057629352e+01 1.88 -5.742964915e+01 -5.742964915e+01 1.90 -4.670254559e+01 -4.670254559e+01 1.92 -3.794104176e+01 -3.794104176e+01 1.94 -3.085215070e+01 -3.085215070e+01 1.96 -2.516792495e+01 -2.516792495e+01 1.98 -2.064446980e+01 -2.064446980e+01 2.00 -1.699753464e+01 -1.699753464e+01 2.02 -1.402899838e+01 -1.402899838e+01 2.04 -1.164835036e+01 -1.164835036e+01 2.06 -9.774603993e+00 -9.774603993e+00 2.08 -8.334604352e+00 -8.334604352e+00 2.10 -7.262159826e+00 -7.262159826e+00 2.12 -6.497880735e+00 -6.497880735e+00 2.14 -5.989564079e+00 -5.989564079e+00 2.16 -5.692804547e+00 -5.692804547e+00 2.18 -5.565105714e+00 -5.565105714e+00 2.20 -5.549261517e+00 -5.549261517e+00 2.22 -5.619308446e+00 -5.619308446e+00 2.24 -5.744519755e+00 -5.744519755e+00 2.26 -5.882828735e+00 -5.882828735e+00 2.28 -6.027322460e+00 -6.027322460e+00 2.30 -6.173717975e+00 -6.173717975e+00 2.32 -6.318577756e+00 -6.318577756e+00 2.34 -6.459170766e+00 -6.459170766e+00 2.36 -6.593354730e+00 -6.593354730e+00 2.38 -6.719474418e+00 -6.719474418e+00 2.40 -6.836272023e+00 -6.836272023e+00 2.42 -6.942805590e+00 -6.942805590e+00 2.44 -7.038310238e+00 -7.038310238e+00 2.46 -7.122537360e+00 -7.122537360e+00 2.48 -7.195930925e+00 -7.195930925e+00 2.50 -7.259069941e+00 -7.259069941e+00 2.52 -7.312596181e+00 -7.312596181e+00 2.54 -7.357162297e+00 -7.357162297e+00 2.56 -7.393387190e+00 -7.393387190e+00 2.58 -7.421819926e+00 -7.421819926e+00 2.60 -7.442913783e+00 -7.442913783e+00 2.62 -7.457012214e+00 -7.457012214e+00 2.64 -7.464348377e+00 -7.464348377e+00 2.66 -7.465059182e+00 -7.465059182e+00 2.68 -7.459213470e+00 -7.459213470e+00 2.70 -7.446851790e+00 -7.446851790e+00 2.72 -7.428032583e+00 -7.428032583e+00 2.74 -7.402876424e+00 -7.402876424e+00 2.76 -7.371596558e+00 -7.371596558e+00 2.78 -7.334500009e+00 -7.334500009e+00 2.80 -7.291938659e+00 -7.291938659e+00 2.82 -7.244301615e+00 -7.244301615e+00 2.84 -7.192171274e+00 -7.192171274e+00 2.86 -7.136242927e+00 -7.136242927e+00 2.88 -7.077293829e+00 -7.077293829e+00 2.90 -7.016118648e+00 -7.016118648e+00 2.92 -6.953441257e+00 -6.953441257e+00 2.94 -6.889121242e+00 -6.889121242e+00 2.96 -6.821762134e+00 -6.821762134e+00 2.98 -6.751235844e+00 -6.751235844e+00 3.00 -6.677465144e+00 -6.677465144e+00 3.02 -6.600378933e+00 -6.600378933e+00 3.04 -6.519922666e+00 -6.519922666e+00 3.06 -6.436068441e+00 -6.436068441e+00 3.08 -6.348824371e+00 -6.348824371e+00 3.10 -6.258242906e+00 -6.258242906e+00 3.12 -6.164427805e+00 -6.164427805e+00 3.14 -6.067539479e+00 -6.067539479e+00 3.16 -5.967798542e+00 -5.967798542e+00 3.18 -5.865487441e+00 -5.865487441e+00 3.20 -5.760950144e+00 -5.760950144e+00 3.22 -5.654589978e+00 -5.654589978e+00 3.24 -5.546865775e+00 -5.546865775e+00 3.26 -5.438286595e+00 -5.438286595e+00 3.28 -5.329405341e+00 -5.329405341e+00 3.30 -5.220811630e+00 -5.220811630e+00 3.32 -5.113124218e+00 -5.113124218e+00 3.34 -5.006983172e+00 -5.006983172e+00 3.36 -4.903041699e+00 -4.903041699e+00 3.38 -4.801957049e+00 -4.801957049e+00 3.40 -4.704379150e+00 -4.704379150e+00 3.42 -4.610934425e+00 -4.610934425e+00 3.44 -4.521677147e+00 -4.521677147e+00 3.46 -4.434234398e+00 -4.434234398e+00 3.48 -4.348319739e+00 -4.348319739e+00 3.50 -4.264013873e+00 -4.264013873e+00 3.52 -4.181385935e+00 -4.181385935e+00 3.54 -4.100493827e+00 -4.100493827e+00 3.56 -4.021384655e+00 -4.021384655e+00 3.58 -3.944095215e+00 -3.944095215e+00 3.60 -3.868652552e+00 -3.868652552e+00 3.62 -3.795074553e+00 -3.795074553e+00 3.64 -3.723370583e+00 -3.723370583e+00 3.66 -3.653542143e+00 -3.653542143e+00 3.68 -3.585583544e+00 -3.585583544e+00 3.70 -3.519482587e+00 -3.519482587e+00 3.72 -3.455221240e+00 -3.455221240e+00 3.74 -3.392776303e+00 -3.392776303e+00 3.76 -3.332120052e+00 -3.332120052e+00 3.78 -3.273220856e+00 -3.273220856e+00 3.80 -3.216043763e+00 -3.216043763e+00 3.82 -3.160551045e+00 -3.160551045e+00 3.84 -3.106702695e+00 -3.106702695e+00 3.86 -3.054456888e+00 -3.054456888e+00 3.88 -3.003770376e+00 -3.003770376e+00 3.90 -2.954598848e+00 -2.954598848e+00 3.92 -2.906897228e+00 -2.906897228e+00 3.94 -2.860619931e+00 -2.860619931e+00 3.96 -2.815721073e+00 -2.815721073e+00 3.98 -2.772154631e+00 -2.772154631e+00 4.00 -2.729874581e+00 -2.729874581e+00 4.02 -2.688834993e+00 -2.688834993e+00 4.04 -2.648990113e+00 -2.648990113e+00 4.06 -2.610294431e+00 -2.610294431e+00 4.08 -2.572702738e+00 -2.572702738e+00 4.10 -2.536170192e+00 -2.536170192e+00 4.12 -2.500652400e+00 -2.500652400e+00 4.14 -2.466105516e+00 -2.466105516e+00 4.16 -2.432486368e+00 -2.432486368e+00 4.18 -2.399752631e+00 -2.399752631e+00 4.20 -2.367863027e+00 -2.367863027e+00 4.22 -2.336777580e+00 -2.336777580e+00 4.24 -2.306457918e+00 -2.306457918e+00 4.26 -2.276867609e+00 -2.276867609e+00 4.28 -2.247972554e+00 -2.247972554e+00 4.30 -2.219741408e+00 -2.219741408e+00 4.32 -2.192146025e+00 -2.192146025e+00 4.34 -2.165161931e+00 -2.165161931e+00 4.36 -2.138768787e+00 -2.138768787e+00 4.38 -2.112950846e+00 -2.112950846e+00 4.40 -2.087697374e+00 -2.087697374e+00 4.42 -2.063003022e+00 -2.063003022e+00 4.44 -2.038868122e+00 -2.038868122e+00 4.46 -2.015298895e+00 -2.015298895e+00 4.48 -1.992307534e+00 -1.992307534e+00 4.50 -1.969912162e+00 -1.969912162e+00 4.52 -1.948136630e+00 -1.948136630e+00 4.54 -1.927010152e+00 -1.927010152e+00 4.56 -1.906566746e+00 -1.906566746e+00 4.58 -1.886844504e+00 -1.886844504e+00 4.60 -1.867884648e+00 -1.867884648e+00 4.62 -1.849730410e+00 -1.849730410e+00 4.64 -1.832425713e+00 -1.832425713e+00 4.66 -1.816013686e+00 -1.816013686e+00 4.68 -1.800535008e+00 -1.800535008e+00 4.70 -1.786026113e+00 -1.786026113e+00 4.72 -1.772517264e+00 -1.772517264e+00 4.74 -1.760030507e+00 -1.760030507e+00 4.76 -1.748577512e+00 -1.748577512e+00 4.78 -1.738157283e+00 -1.738157283e+00 4.80 -1.728753703e+00 -1.728753703e+00 4.82 -1.720332834e+00 -1.720332834e+00 4.84 -1.712839851e+00 -1.712839851e+00 4.86 -1.706078298e+00 -1.706078298e+00 4.88 -1.699306096e+00 -1.699306096e+00 4.90 -1.692382405e+00 -1.692382405e+00 4.92 -1.685280145e+00 -1.685280145e+00 4.94 -1.677977867e+00 -1.677977867e+00 4.96 -1.670460005e+00 -1.670460005e+00 4.98 -1.662717114e+00 -1.662717114e+00 5.00 -1.654746063e+00 -1.654746063e+00 5.02 -1.646550193e+00 -1.646550193e+00 5.04 -1.638139432e+00 -1.638139432e+00 5.06 -1.629530348e+00 -1.629530348e+00 5.08 -1.620746143e+00 -1.620746143e+00 5.10 -1.611816566e+00 -1.611816566e+00 5.12 -1.602777741e+00 -1.602777741e+00 5.14 -1.593671892e+00 -1.593671892e+00 5.16 -1.584546953e+00 -1.584546953e+00 5.18 -1.575456058e+00 -1.575456058e+00 5.20 -1.566456883e+00 -1.566456883e+00 5.22 -1.557610852e+00 -1.557610852e+00 5.24 -1.548982178e+00 -1.548982178e+00 5.26 -1.540636753e+00 -1.540636753e+00 5.28 -1.532640873e+00 -1.532640873e+00 5.30 -1.525059809e+00 -1.525059809e+00 5.32 -1.517956231e+00 -1.517956231e+00 5.34 -1.511388498e+00 -1.511388498e+00 5.36 -1.505408825e+00 -1.505408825e+00 5.38 -1.500061364e+00 -1.500061364e+00 5.40 -1.495380195e+00 -1.495380195e+00 5.42 -1.491387273e+00 -1.491387273e+00 5.44 -1.488090333e+00 -1.488090333e+00 5.46 -1.485480759e+00 -1.485480759e+00 5.48 -1.483531418e+00 -1.483531418e+00 5.50 -1.482194419e+00 -1.482194419e+00 5.52 -1.481398731e+00 -1.481398731e+00 5.54 -1.481047550e+00 -1.481047550e+00 5.56 -1.481015241e+00 -1.481015241e+00 5.58 -1.481143574e+00 -1.481143574e+00 5.60 -1.481236886e+00 -1.481236886e+00 5.62 -1.481236886e+00 -1.481236886e+00 5.64 -1.481236886e+00 -1.481236886e+00 5.66 -1.481236886e+00 -1.481236886e+00 5.68 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