# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AgNi2Ti # 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 2024-04-11 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 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 1.782030894e+02 1.782030894e+02 1.30 1.641992137e+02 1.641992137e+02 1.32 1.512823509e+02 1.512823509e+02 1.34 1.393592678e+02 1.393592678e+02 1.36 1.283469198e+02 1.283469198e+02 1.38 1.181725203e+02 1.181725203e+02 1.40 1.087714837e+02 1.087714837e+02 1.42 1.000851156e+02 1.000851156e+02 1.44 9.205914892e+01 9.205914892e+01 1.46 8.464299994e+01 8.464299994e+01 1.48 7.778937297e+01 7.778937297e+01 1.50 7.145413778e+01 7.145413778e+01 1.52 6.559644722e+01 6.559644722e+01 1.54 6.017885644e+01 6.017885644e+01 1.56 5.516718188e+01 5.516718188e+01 1.58 5.053010609e+01 5.053010609e+01 1.60 4.623880930e+01 4.623880930e+01 1.62 4.226684740e+01 4.226684740e+01 1.64 3.859014145e+01 3.859014145e+01 1.66 3.518679476e+01 3.518679476e+01 1.68 3.203682420e+01 3.203682420e+01 1.70 2.912203789e+01 2.912203789e+01 1.72 2.642572992e+01 2.642572992e+01 1.74 2.393113855e+01 2.393113855e+01 1.76 2.162267216e+01 2.162267216e+01 1.78 1.948605854e+01 1.948605854e+01 1.80 1.750843787e+01 1.750843787e+01 1.82 1.567837959e+01 1.567837959e+01 1.84 1.398576932e+01 1.398576932e+01 1.86 1.242155274e+01 1.242155274e+01 1.88 1.097739598e+01 1.097739598e+01 1.90 9.645370423e+00 9.645370423e+00 1.92 8.417750861e+00 8.417750861e+00 1.94 7.286966091e+00 7.286966091e+00 1.96 6.245684216e+00 6.245684216e+00 1.98 5.286967464e+00 5.286967464e+00 2.00 4.404407429e+00 4.404407429e+00 2.02 3.592180386e+00 3.592180386e+00 2.04 2.845023041e+00 2.845023041e+00 2.06 2.158169991e+00 2.158169991e+00 2.08 1.527292629e+00 1.527292629e+00 2.10 9.484533816e-01 9.484533816e-01 2.12 4.180669531e-01 4.180669531e-01 2.14 -6.714378622e-02 -6.714378622e-02 2.16 -5.102000947e-01 -5.102000947e-01 2.18 -9.139228853e-01 -9.139228853e-01 2.20 -1.280984090e+00 -1.280984090e+00 2.22 -1.613948223e+00 -1.613948223e+00 2.24 -1.915298997e+00 -1.915298997e+00 2.26 -2.187448727e+00 -2.187448727e+00 2.28 -2.432733296e+00 -2.432733296e+00 2.30 -2.653398910e+00 -2.653398910e+00 2.32 -2.851586316e+00 -2.851586316e+00 2.34 -3.029309897e+00 -3.029309897e+00 2.36 -3.188429781e+00 -3.188429781e+00 2.38 -3.330620073e+00 -3.330620073e+00 2.40 -3.457346105e+00 -3.457346105e+00 2.42 -3.569863448e+00 -3.569863448e+00 2.44 -3.669241743e+00 -3.669241743e+00 2.46 -3.756428037e+00 -3.756428037e+00 2.48 -3.832285145e+00 -3.832285145e+00 2.50 -3.897504424e+00 -3.897504424e+00 2.52 -3.952750490e+00 -3.952750490e+00 2.54 -3.998677213e+00 -3.998677213e+00 2.56 -4.035923498e+00 -4.035923498e+00 2.58 -4.065115411e+00 -4.065115411e+00 2.60 -4.086861712e+00 -4.086861712e+00 2.62 -4.101699352e+00 -4.101699352e+00 2.64 -4.110063633e+00 -4.110063633e+00 2.66 -4.112391532e+00 -4.112391532e+00 2.68 -4.109120317e+00 -4.109120317e+00 2.70 -4.100521554e+00 -4.100521554e+00 2.72 -4.086751648e+00 -4.086751648e+00 2.74 -4.068029986e+00 -4.068029986e+00 2.76 -4.044629969e+00 -4.044629969e+00 2.78 -4.016858844e+00 -4.016858844e+00 2.80 -3.985036585e+00 -3.985036585e+00 2.82 -3.949507583e+00 -3.949507583e+00 2.84 -3.910645747e+00 -3.910645747e+00 2.86 -3.868627701e+00 -3.868627701e+00 2.88 -3.823611742e+00 -3.823611742e+00 2.90 -3.775759147e+00 -3.775759147e+00 2.92 -3.725237696e+00 -3.725237696e+00 2.94 -3.672225457e+00 -3.672225457e+00 2.96 -3.616914103e+00 -3.616914103e+00 2.98 -3.559512491e+00 -3.559512491e+00 3.00 -3.500254191e+00 -3.500254191e+00 3.02 -3.439391394e+00 -3.439391394e+00 3.04 -3.377187017e+00 -3.377187017e+00 3.06 -3.313907642e+00 -3.313907642e+00 3.08 -3.249813431e+00 -3.249813431e+00 3.10 -3.185147967e+00 -3.185147967e+00 3.12 -3.120129815e+00 -3.120129815e+00 3.14 -3.054947989e+00 -3.054947989e+00 3.16 -2.989761005e+00 -2.989761005e+00 3.18 -2.924699580e+00 -2.924699580e+00 3.20 -2.859870905e+00 -2.859870905e+00 3.22 -2.795363468e+00 -2.795363468e+00 3.24 -2.731251427e+00 -2.731251427e+00 3.26 -2.667598104e+00 -2.667598104e+00 3.28 -2.604458507e+00 -2.604458507e+00 3.30 -2.541880996e+00 -2.541880996e+00 3.32 -2.479908320e+00 -2.479908320e+00 3.34 -2.418578233e+00 -2.418578233e+00 3.36 -2.357923892e+00 -2.357923892e+00 3.38 -2.297974215e+00 -2.297974215e+00 3.40 -2.238754310e+00 -2.238754310e+00 3.42 -2.180286192e+00 -2.180286192e+00 3.44 -2.122589608e+00 -2.122589608e+00 3.46 -2.065683262e+00 -2.065683262e+00 3.48 -2.009586068e+00 -2.009586068e+00 3.50 -1.954318259e+00 -1.954318259e+00 3.52 -1.899902026e+00 -1.899902026e+00 3.54 -1.846361357e+00 -1.846361357e+00 3.56 -1.793720908e+00 -1.793720908e+00 3.58 -1.742004037e+00 -1.742004037e+00 3.60 -1.691230372e+00 -1.691230372e+00 3.62 -1.641413540e+00 -1.641413540e+00 3.64 -1.592559658e+00 -1.592559658e+00 3.66 -1.544666990e+00 -1.544666990e+00 3.68 -1.497726870e+00 -1.497726870e+00 3.70 -1.451725693e+00 -1.451725693e+00 3.72 -1.406647606e+00 -1.406647606e+00 3.74 -1.362477481e+00 -1.362477481e+00 3.76 -1.319203784e+00 -1.319203784e+00 3.78 -1.276821036e+00 -1.276821036e+00 3.80 -1.235331575e+00 -1.235331575e+00 3.82 -1.194746417e+00 -1.194746417e+00 3.84 -1.155085012e+00 -1.155085012e+00 3.86 -1.116373821e+00 -1.116373821e+00 3.88 -1.078643765e+00 -1.078643765e+00 3.90 -1.041926798e+00 -1.041926798e+00 3.92 -1.006252012e+00 -1.006252012e+00 3.94 -9.716419446e-01 -9.716419446e-01 3.96 -9.381092805e-01 -9.381092805e-01 3.98 -9.056548600e-01 -9.056548600e-01 4.00 -8.742668055e-01 -8.742668055e-01 4.02 -8.439209016e-01 -8.439209016e-01 4.04 -8.145819716e-01 -8.145819716e-01 4.06 -7.862059162e-01 -7.862059162e-01 4.08 -7.587420622e-01 -7.587420622e-01 4.10 -7.321354610e-01 -7.321354610e-01 4.12 -7.063293300e-01 -7.063293300e-01 4.14 -6.812665073e-01 -6.812665073e-01 4.16 -6.568913087e-01 -6.568913087e-01 4.18 -6.331507203e-01 -6.331507203e-01 4.20 -6.099954392e-01 -6.099954392e-01 4.22 -5.873807493e-01 -5.873807493e-01 4.24 -5.652672845e-01 -5.652672845e-01 4.26 -5.436217181e-01 -5.436217181e-01 4.28 -5.224173961e-01 -5.224173961e-01 4.30 -5.016349085e-01 -5.016349085e-01 4.32 -4.812625786e-01 -4.812625786e-01 4.34 -4.612968271e-01 -4.612968271e-01 4.36 -4.417423505e-01 -4.417423505e-01 4.38 -4.226120395e-01 -4.226120395e-01 4.40 -4.039265485e-01 -4.039265485e-01 4.42 -3.857134329e-01 -3.857134329e-01 4.44 -3.680057903e-01 -3.680057903e-01 4.46 -3.508403942e-01 -3.508403942e-01 4.48 -3.342553764e-01 -3.342553764e-01 4.50 -3.182876017e-01 -3.182876017e-01 4.52 -3.029699579e-01 -3.029699579e-01 4.54 -2.883288278e-01 -2.883288278e-01 4.56 -2.743820140e-01 -2.743820140e-01 4.58 -2.611373350e-01 -2.611373350e-01 4.60 -2.485920181e-01 -2.485920181e-01 4.62 -2.367329012e-01 -2.367329012e-01 4.64 -2.255373515e-01 -2.255373515e-01 4.66 -2.149747324e-01 -2.149747324e-01 4.68 -2.050082085e-01 -2.050082085e-01 4.70 -1.955966856e-01 -1.955966856e-01 4.72 -1.866967132e-01 -1.866967132e-01 4.74 -1.782641607e-01 -1.782641607e-01 4.76 -1.702555573e-01 -1.702555573e-01 4.78 -1.626300121e-01 -1.626300121e-01 4.80 -1.553495670e-01 -1.553495670e-01 4.82 -1.483800369e-01 -1.483800369e-01 4.84 -1.416912657e-01 -1.416912657e-01 4.86 -1.352576465e-01 -1.352576465e-01 4.88 -1.290582215e-01 -1.290582215e-01 4.90 -1.230766760e-01 -1.230766760e-01 4.92 -1.173011852e-01 -1.173011852e-01 4.94 -1.117241165e-01 -1.117241165e-01 4.96 -1.063415888e-01 -1.063415888e-01 4.98 -1.011528936e-01 -1.011528936e-01 5.00 -9.615979568e-02 -9.615979568e-02 5.02 -9.136574272e-02 -9.136574272e-02 5.04 -8.677502619e-02 -8.677502619e-02 5.06 -8.239194978e-02 -8.239194978e-02 5.08 -7.822005868e-02 -7.822005868e-02 5.10 -7.426132630e-02 -7.426132630e-02 5.12 -7.051607173e-02 -7.051607173e-02 5.14 -6.698255138e-02 -6.698255138e-02 5.16 -6.365673871e-02 -6.365673871e-02 5.18 -6.053241950e-02 -6.053241950e-02 5.20 -5.760142861e-02 -5.760142861e-02 5.22 -5.485398417e-02 -5.485398417e-02 5.24 -5.227907369e-02 -5.227907369e-02 5.26 -4.986485098e-02 -4.986485098e-02 5.28 -4.759901148e-02 -4.759901148e-02 5.30 -4.546912382e-02 -4.546912382e-02 5.32 -4.346290502e-02 -4.346290502e-02 5.34 -4.156843585e-02 -4.156843585e-02 5.36 -3.977431836e-02 -3.977431836e-02 5.38 -3.806978268e-02 -3.806978268e-02 5.40 -3.644475175e-02 -3.644475175e-02 5.42 -3.488987397e-02 -3.488987397e-02 5.44 -3.339653321e-02 -3.339653321e-02 5.46 -3.195684500e-02 -3.195684500e-02 5.48 -3.056364629e-02 -3.056364629e-02 5.50 -2.921048497e-02 -2.921048497e-02 5.52 -2.789161365e-02 -2.789161365e-02 5.54 -2.660199104e-02 -2.660199104e-02 5.56 -2.533729221e-02 -2.533729221e-02 5.58 -2.409392782e-02 -2.409392782e-02 5.60 -2.286907130e-02 -2.286907130e-02 5.62 -2.166069014e-02 -2.166069014e-02 5.64 -2.046757673e-02 -2.046757673e-02 5.66 -1.928937227e-02 -1.928937227e-02 5.68 -1.812657664e-02 -1.812657664e-02 5.70 -1.698053620e-02 -1.698053620e-02 5.72 -1.585340238e-02 -1.585340238e-02 5.74 -1.474805521e-02 -1.474805521e-02 5.76 -1.366798869e-02 -1.366798869e-02 5.78 -1.261703666e-02 -1.261703666e-02 5.80 -1.159937944e-02 -1.159937944e-02 5.82 -1.061939317e-02 -1.061939317e-02 5.84 -9.681300855e-03 -9.681300855e-03 5.86 -8.788961903e-03 -8.788961903e-03 5.88 -7.945684245e-03 -7.945684245e-03 5.90 -7.154073283e-03 -7.154073283e-03 5.92 -6.415927748e-03 -6.415927748e-03 5.94 -5.732187610e-03 -5.732187610e-03 5.96 -5.102933712e-03 -5.102933712e-03 5.98 -4.527433913e-03 -4.527433913e-03 6.00 -4.004226849e-03 -4.004226849e-03