# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Sn # implementation = 2026--Park-J-H--Fe-Cu-Sn--LAMMPS--ipr1 # composition = FeSn # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z B4--ZnS--wurtzit B4--ZnS--wurtzit L1_0--AuCu L1_0--AuCu 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 6.592330318e+02 6.592330318e+02 6.863814758e+02 6.863814758e+02 nan nan 0.68 nan nan nan nan 6.202643909e+02 6.202643909e+02 6.448787257e+02 6.448787257e+02 nan nan 0.70 nan nan nan nan 5.834935728e+02 5.834935728e+02 6.058063469e+02 6.058063469e+02 nan nan 0.72 nan nan nan nan 5.488001012e+02 5.488001012e+02 5.690229308e+02 5.690229308e+02 nan nan 0.74 nan nan nan nan 5.160699857e+02 5.160699857e+02 5.343954068e+02 5.343954068e+02 nan nan 0.76 nan nan nan nan 4.851953765e+02 4.851953765e+02 5.017985355e+02 5.017985355e+02 nan nan 0.78 7.330075387e+02 7.330075387e+02 nan nan 4.560742373e+02 4.560742373e+02 4.711144338e+02 4.711144338e+02 nan nan 0.80 6.898298565e+02 6.898298565e+02 nan nan 4.286100353e+02 4.286100353e+02 4.422321304e+02 4.422321304e+02 nan nan 0.82 6.490781660e+02 6.490781660e+02 nan nan 4.027114480e+02 4.027114480e+02 4.150471489e+02 4.150471489e+02 nan nan 0.84 6.106199935e+02 6.106199935e+02 8.779854847e+02 8.779854847e+02 3.782920854e+02 3.782920854e+02 3.894611179e+02 3.894611179e+02 nan nan 0.86 5.743299606e+02 5.743299606e+02 8.267324111e+02 8.267324111e+02 3.552702266e+02 3.552702266e+02 3.653814046e+02 3.653814046e+02 1.058440507e+03 1.058440507e+03 0.88 5.400894107e+02 5.400894107e+02 7.783435016e+02 7.783435016e+02 3.335685711e+02 3.335685711e+02 3.427207720e+02 3.427207720e+02 9.940944847e+02 9.940944847e+02 0.90 5.077860526e+02 5.077860526e+02 7.326629770e+02 7.326629770e+02 3.131140026e+02 3.131140026e+02 3.213970571e+02 3.213970571e+02 9.332831547e+02 9.332831547e+02 0.92 4.773136249e+02 4.773136249e+02 6.895433737e+02 6.895433737e+02 2.938373659e+02 2.938373659e+02 3.013328693e+02 3.013328693e+02 8.758623347e+02 8.758623347e+02 0.94 4.485715764e+02 4.485715764e+02 6.488451054e+02 6.488451054e+02 2.756732547e+02 2.756732547e+02 2.824553069e+02 2.824553069e+02 8.216913881e+02 8.216913881e+02 0.96 4.214647641e+02 4.214647641e+02 6.104360489e+02 6.104360489e+02 2.585598120e+02 2.585598120e+02 2.646956917e+02 2.646956917e+02 7.706315622e+02 7.706315622e+02 0.98 3.959031667e+02 3.959031667e+02 5.741911505e+02 5.741911505e+02 2.424385398e+02 2.424385398e+02 2.479893197e+02 2.479893197e+02 7.225450279e+02 7.225450279e+02 1.00 3.718016130e+02 3.718016130e+02 5.399920533e+02 5.399920533e+02 2.272541198e+02 2.272541198e+02 2.322752266e+02 2.322752266e+02 6.772945211e+02 6.772945211e+02 1.02 3.490795246e+02 3.490795246e+02 5.077267440e+02 5.077267440e+02 2.129542430e+02 2.129542430e+02 2.174959686e+02 2.174959686e+02 6.347434539e+02 6.347434539e+02 1.04 3.276606723e+02 3.276606723e+02 4.772892178e+02 4.772892178e+02 1.994894487e+02 1.994894487e+02 2.035974151e+02 2.035974151e+02 5.947563548e+02 5.947563548e+02 1.06 3.074729449e+02 3.074729449e+02 4.485791612e+02 4.485791612e+02 1.868129720e+02 1.868129720e+02 1.905285555e+02 1.905285555e+02 5.571995071e+02 5.571995071e+02 1.08 2.884481304e+02 2.884481304e+02 4.215016506e+02 4.215016506e+02 1.748805989e+02 1.748805989e+02 1.782413163e+02 1.782413163e+02 5.219416717e+02 5.219416717e+02 1.10 2.705217086e+02 2.705217086e+02 3.959668679e+02 3.959668679e+02 1.636505304e+02 1.636505304e+02 1.666903906e+02 1.666903906e+02 4.888548077e+02 4.888548077e+02 1.12 2.536326543e+02 2.536326543e+02 3.718898297e+02 3.718898297e+02 1.530832517e+02 1.530832517e+02 1.558330762e+02 1.558330762e+02 4.578147295e+02 4.578147295e+02 1.14 2.377232518e+02 2.377232518e+02 3.491901312e+02 3.491901312e+02 1.431414105e+02 1.431414105e+02 1.456291251e+02 1.456291251e+02 4.287016631e+02 4.287016631e+02 1.16 2.227389177e+02 2.227389177e+02 3.277917036e+02 3.277917036e+02 1.337897005e+02 1.337897005e+02 1.360406004e+02 1.360406004e+02 4.014006815e+02 4.014006815e+02 1.18 2.086280344e+02 2.086280344e+02 3.076225842e+02 3.076225842e+02 1.249947513e+02 1.249947513e+02 1.270317433e+02 1.270317433e+02 3.758020168e+02 3.758020168e+02 1.20 1.953417915e+02 1.953417915e+02 2.886146979e+02 2.886146979e+02 1.167250244e+02 1.167250244e+02 1.185688464e+02 1.185688464e+02 3.518012535e+02 3.518012535e+02 1.22 1.828340357e+02 1.828340357e+02 2.707036514e+02 2.707036514e+02 1.089507145e+02 1.089507145e+02 1.106201359e+02 1.106201359e+02 3.292994175e+02 3.292994175e+02 1.24 1.710611292e+02 1.710611292e+02 2.538285368e+02 2.538285368e+02 1.016436560e+02 1.016436560e+02 1.031556598e+02 1.031556598e+02 3.082029728e+02 3.082029728e+02 1.26 1.599818145e+02 1.599818145e+02 2.379317463e+02 2.379317463e+02 9.477723496e+01 9.477723496e+01 9.614718304e+01 9.614718304e+01 2.884237461e+02 2.884237461e+02 1.28 1.495570876e+02 1.495570876e+02 2.229587969e+02 2.229587969e+02 8.832630501e+01 8.832630501e+01 8.956808907e+01 8.956808907e+01 2.698787922e+02 2.698787922e+02 1.30 1.397500765e+02 1.397500765e+02 2.088581633e+02 2.088581633e+02 8.226710824e+01 8.226710824e+01 8.339328658e+01 8.339328658e+01 2.524902164e+02 2.524902164e+02 1.32 1.305259276e+02 1.305259276e+02 1.955811205e+02 1.955811205e+02 7.657720024e+01 7.657720024e+01 7.759912223e+01 7.759912223e+01 2.361849662e+02 2.361849662e+02 1.34 1.218516968e+02 1.218516968e+02 1.830815944e+02 1.830815944e+02 7.123537891e+01 7.123537891e+01 7.216329821e+01 7.216329821e+01 2.208946025e+02 2.208946025e+02 1.36 1.136962471e+02 1.136962471e+02 1.713160200e+02 1.713160200e+02 6.622161734e+01 6.622161734e+01 6.706479466e+01 6.706479466e+01 2.065550597e+02 2.065550597e+02 1.38 1.060301515e+02 1.060301515e+02 1.602432075e+02 1.602432075e+02 6.151700006e+01 6.151700006e+01 6.228379660e+01 6.228379660e+01 1.931064007e+02 1.931064007e+02 1.40 9.882560100e+01 9.882560100e+01 1.498242149e+02 1.498242149e+02 5.710366282e+01 5.710366282e+01 5.780162514e+01 5.780162514e+01 1.804925737e+02 1.804925737e+02 1.42 9.205631742e+01 9.205631742e+01 1.400222282e+02 1.400222282e+02 5.296473552e+01 5.296473552e+01 5.360067256e+01 5.360067256e+01 1.686611724e+02 1.686611724e+02 1.44 8.569747083e+01 8.569747083e+01 1.308024468e+02 1.308024468e+02 4.908428820e+01 4.908428820e+01 4.966434127e+01 4.966434127e+01 1.575632048e+02 1.575632048e+02 1.46 7.972560147e+01 7.972560147e+01 1.221319760e+02 1.221319760e+02 4.544727990e+01 4.544727990e+01 4.597698610e+01 4.597698610e+01 1.471528710e+02 1.471528710e+02 1.48 7.411854577e+01 7.411854577e+01 1.139797243e+02 1.139797243e+02 4.203951015e+01 4.203951015e+01 4.252385979e+01 4.252385979e+01 1.373873524e+02 1.373873524e+02 1.50 6.885536633e+01 6.885536633e+01 1.063163070e+02 1.063163070e+02 3.884757277e+01 3.884757277e+01 3.929106079e+01 3.929106079e+01 1.282266112e+02 1.282266112e+02 1.52 6.391628549e+01 6.391628549e+01 9.911395386e+01 9.911395386e+01 3.585881101e+01 3.585881101e+01 3.626548220e+01 3.626548220e+01 1.196332031e+02 1.196332031e+02 1.54 5.928262267e+01 5.928262267e+01 9.234642282e+01 9.234642282e+01 3.306127261e+01 3.306127261e+01 3.343475938e+01 3.343475938e+01 1.115721009e+02 1.115721009e+02 1.56 5.493673481e+01 5.493673481e+01 8.598891726e+01 8.598891726e+01 3.044366187e+01 3.044366187e+01 3.078721303e+01 3.078721303e+01 1.040105295e+02 1.040105295e+02 1.58 5.086196017e+01 5.086196017e+01 8.001800834e+01 8.001800834e+01 2.799528508e+01 2.799528508e+01 2.831178421e+01 2.831178421e+01 9.691781252e+01 9.691781252e+01 1.60 4.704256497e+01 4.704256497e+01 7.441156104e+01 7.441156104e+01 2.570598625e+01 2.570598625e+01 2.599796015e+01 2.599796015e+01 9.026522940e+01 9.026522940e+01 1.62 4.346369304e+01 4.346369304e+01 6.914866442e+01 6.914866442e+01 2.356607323e+01 2.356607323e+01 2.383569423e+01 2.383569423e+01 8.402588214e+01 8.402588214e+01 1.64 4.011131800e+01 4.011131800e+01 6.420956535e+01 6.420956535e+01 2.156624043e+01 2.156624043e+01 2.181533085e+01 2.181533085e+01 7.817457189e+01 7.817457189e+01 1.66 3.697219812e+01 3.697219812e+01 5.957560596e+01 5.957560596e+01 1.969750194e+01 1.969750194e+01 1.992755145e+01 1.992755145e+01 7.268768435e+01 7.268768435e+01 1.68 3.403383354e+01 3.403383354e+01 5.522916426e+01 5.522916426e+01 1.795115361e+01 1.795115361e+01 1.816335973e+01 1.816335973e+01 6.754308325e+01 6.754308325e+01 1.70 3.128442577e+01 3.128442577e+01 5.115359802e+01 5.115359802e+01 1.631878176e+01 1.631878176e+01 1.651411884e+01 1.651411884e+01 6.272001165e+01 6.272001165e+01 1.72 2.871283942e+01 2.871283942e+01 4.733319159e+01 4.733319159e+01 1.479232745e+01 1.479232745e+01 1.497164095e+01 1.497164095e+01 5.819900034e+01 5.819900034e+01 1.74 2.630856586e+01 2.630856586e+01 4.375310561e+01 4.375310561e+01 1.336420052e+01 1.336420052e+01 1.352831476e+01 1.352831476e+01 5.396178275e+01 5.396178275e+01 1.76 2.406168902e+01 2.406168902e+01 4.039932932e+01 4.039932932e+01 1.202742137e+01 1.202742137e+01 1.217724242e+01 1.217724242e+01 4.999121608e+01 4.999121608e+01 1.78 2.196285281e+01 2.196285281e+01 3.725863550e+01 3.725863550e+01 1.077575718e+01 1.077575718e+01 1.091235090e+01 1.091235090e+01 4.627120796e+01 4.627120796e+01 1.80 2.000323048e+01 2.000323048e+01 3.431853779e+01 3.431853779e+01 9.603815555e+00 9.603815555e+00 9.728445029e+00 9.728445029e+00 4.278664842e+01 4.278664842e+01 1.82 1.817449549e+01 1.817449549e+01 3.156725023e+01 3.156725023e+01 8.507066028e+00 8.507066028e+00 8.621180728e+00 8.621180728e+00 3.952334657e+01 3.952334657e+01 1.84 1.646879404e+01 1.646879404e+01 2.899364911e+01 2.899364911e+01 7.481775209e+00 7.481775209e+00 7.586954844e+00 7.586954844e+00 3.646797176e+01 3.646797176e+01 1.86 1.487871903e+01 1.487871903e+01 2.658723668e+01 2.658723668e+01 6.524861260e+00 6.524861260e+00 6.622727148e+00 6.622727148e+00 3.360799888e+01 3.360799888e+01 1.88 1.339728544e+01 1.339728544e+01 2.433810699e+01 2.433810699e+01 5.633692241e+00 5.633692241e+00 5.725805295e+00 5.725805295e+00 3.093165740e+01 3.093165740e+01 1.90 1.201790705e+01 1.201790705e+01 2.223691341e+01 2.223691341e+01 4.805865019e+00 4.805865019e+00 4.893630843e+00 4.893630843e+00 2.842788386e+01 2.842788386e+01 1.92 1.073437439e+01 1.073437439e+01 2.027483797e+01 2.027483797e+01 4.039003804e+00 4.039003804e+00 4.123601580e+00 4.123601580e+00 2.608627773e+01 2.608627773e+01 1.94 9.540833910e+00 9.540833910e+00 1.844356240e+01 1.844356240e+01 3.330609697e+00 3.330609697e+00 3.412954215e+00 3.412954215e+00 2.389706012e+01 2.389706012e+01 1.96 8.431768248e+00 8.431768248e+00 1.673524055e+01 1.673524055e+01 2.677977916e+00 2.677977916e+00 2.758715764e+00 2.758715764e+00 2.185103534e+01 2.185103534e+01 1.98 7.401977616e+00 7.401977616e+00 1.514247254e+01 1.514247254e+01 2.078182949e+00 2.078182949e+00 2.157716934e+00 2.157716934e+00 1.993955500e+01 1.993955500e+01 2.00 6.446562134e+00 6.446562134e+00 1.365828004e+01 1.365828004e+01 1.528118360e+00 1.528118360e+00 1.606650347e+00 1.606650347e+00 1.815448443e+01 1.815448443e+01 2.02 5.560905170e+00 5.560905170e+00 1.227608314e+01 1.227608314e+01 1.024570822e+00 1.024570822e+00 1.102152419e+00 1.102152419e+00 1.648817143e+01 1.648817143e+01 2.04 4.740657556e+00 4.740657556e+00 1.098967826e+01 1.098967826e+01 5.643069075e-01 5.643069075e-01 6.408891328e-01 6.408891328e-01 1.493341688e+01 1.493341688e+01 2.06 3.981722685e+00 3.981722685e+00 9.793217375e+00 9.793217375e+00 1.439434249e-01 1.439434249e-01 2.194446888e-01 2.194446888e-01 1.348344744e+01 1.348344744e+01 2.08 3.280242396e+00 3.280242396e+00 8.681188311e+00 8.681188311e+00 -2.408299361e-01 -2.408299361e-01 -1.662133653e-01 -1.662133653e-01 1.213188983e+01 1.213188983e+01 2.10 2.632583650e+00 2.632583650e+00 7.648396141e+00 7.648396141e+00 -5.903411962e-01 -5.903411962e-01 -5.168504930e-01 -5.168504930e-01 1.087274686e+01 1.087274686e+01 2.12 2.035325915e+00 2.035325915e+00 6.689945556e+00 6.689945556e+00 -9.075722129e-01 -9.075722129e-01 -8.355895350e-01 -8.355895350e-01 9.700374954e+00 9.700374954e+00 2.14 1.485249251e+00 1.485249251e+00 5.801224215e+00 5.801224215e+00 -1.195708038e+00 -1.195708038e+00 -1.125328737e+00 -1.125328737e+00 8.609463049e+00 8.609463049e+00 2.16 9.793230413e-01 9.793230413e-01 4.977886993e+00 4.977886993e+00 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