# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Mn # implementation = 2025--Sharifi-H--Ni-Mn--LAMMPS--ipr1 # composition = MnNi3 # 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 2025-07-01 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 1.218393786e+03 nan nan 0.92 1.096494425e+03 nan nan 0.94 9.806485204e+02 nan nan 0.96 8.727221101e+02 nan nan 0.98 7.736886328e+02 1.072308137e+03 nan 1.00 6.838922258e+02 9.830996052e+02 nan 1.02 6.032356777e+02 8.959142201e+02 1.126789451e+03 1.04 5.311843992e+02 8.121385492e+02 1.024816083e+03 1.06 4.671618092e+02 7.328361600e+02 9.277679250e+02 1.08 4.105582739e+02 6.587528980e+02 8.367067459e+02 1.10 3.607172721e+02 5.902674328e+02 7.522575087e+02 1.12 3.169733216e+02 5.274929719e+02 6.746411845e+02 1.14 2.786776333e+02 4.703549882e+02 6.037728427e+02 1.16 2.452146897e+02 4.186502599e+02 5.394305258e+02 1.18 2.160122039e+02 3.720913148e+02 4.812961736e+02 1.20 1.905463199e+02 3.303396235e+02 4.289888021e+02 1.22 1.683434524e+02 2.930300937e+02 3.820909306e+02 1.24 1.489798119e+02 2.597888555e+02 3.401690577e+02 1.26 1.320793943e+02 2.302459252e+02 3.027891015e+02 1.28 1.173110007e+02 2.040439545e+02 2.695276475e+02 1.30 1.043847061e+02 1.808440220e+02 2.399798098e+02 1.32 9.304808258e+01 1.603292028e+02 2.137644007e+02 1.34 8.308237973e+01 1.422064884e+02 1.905270069e+02 1.36 7.429880552e+01 1.262075017e+02 1.699414791e+02 1.38 6.653499796e+01 1.120883415e+02 1.517102352e+02 1.40 5.965174632e+01 9.962882785e+01 1.355637147e+02 1.42 5.352999095e+01 8.863134137e+01 1.212592432e+02 1.44 4.806811368e+01 7.891940393e+01 1.085795047e+02 1.46 4.317951614e+01 7.033611883e+01 9.733078372e+01 1.48 3.879047750e+01 6.274254841e+01 8.734109114e+01 1.50 3.483827489e+01 5.601609045e+01 7.845825746e+01 1.52 3.126954333e+01 5.004889924e+01 7.054806044e+01 1.54 2.803885548e+01 4.474637575e+01 6.349242115e+01 1.56 2.510749835e+01 4.002574827e+01 5.718769784e+01 1.58 2.244243079e+01 3.581475492e+01 5.154309527e+01 1.60 2.001540896e+01 3.205043152e+01 4.647920368e+01 1.62 1.780220185e+01 2.867800826e+01 4.192666904e+01 1.64 1.578194195e+01 2.564991140e+01 3.782498899e+01 1.66 1.393653777e+01 2.292486562e+01 3.412142885e+01 1.68 1.225006010e+01 2.046709270e+01 3.077005324e+01 1.70 1.070835464e+01 1.824559883e+01 2.773086362e+01 1.72 9.298789955e+00 1.623354360e+01 2.496903405e+01 1.74 8.010049616e+00 1.440768245e+01 2.245423750e+01 1.76 6.831959422e+00 1.274785890e+01 2.016005424e+01 1.78 5.755329355e+00 1.123653122e+01 1.806346558e+01 1.80 4.771789306e+00 9.858390827e+00 1.614438923e+01 1.82 3.873694701e+00 8.600052423e+00 1.438527340e+01 1.84 3.054066314e+00 7.449794829e+00 1.277075562e+01 1.86 2.306534341e+00 6.397336544e+00 1.128736700e+01 1.88 1.625286135e+00 5.433641703e+00 9.923276279e+00 1.90 1.005017684e+00 4.550752715e+00 8.668069000e+00 1.92 4.408885962e-01 3.741646019e+00 7.512556930e+00 1.94 -7.151944700e-02 3.000107961e+00 6.448614061e+00 1.96 -5.362409197e-01 2.320628090e+00 5.469035551e+00 1.98 -9.569615705e-01 1.698305043e+00 4.567413252e+00 2.00 -1.337050587e+00 1.128748083e+00 3.738005173e+00 2.02 -1.679592095e+00 6.079954357e-01 2.975626382e+00 2.04 -1.987428497e+00 1.324222809e-01 2.275519593e+00 2.06 -2.263175778e+00 -3.013261536e-01 1.633262365e+00 2.08 -2.509236807e+00 -6.963575944e-01 1.044739471e+00 2.10 -2.727846380e+00 -1.055551241e+00 5.061213517e-01 2.12 -2.921085538e+00 -1.381574941e+00 1.384400723e-02 2.14 -3.090892362e+00 -1.676901086e+00 -4.354096677e-01 2.16 -3.239071960e+00 -1.943821362e+00 -8.447272304e-01 2.18 -3.367305716e+00 -2.184454955e+00 -1.216982846e+00 2.20 -3.477159964e+00 -2.400755691e+00 -1.554852265e+00 2.22 -3.570096206e+00 -2.594536123e+00 -1.860826749e+00 2.24 -3.647477914e+00 -2.767479685e+00 -2.137226017e+00 2.26 -3.710574657e+00 -2.921150063e+00 -2.386210254e+00 2.28 -3.760568405e+00 -3.056999891e+00 -2.609791265e+00 2.30 -3.798559464e+00 -3.176378795e+00 -2.809842853e+00 2.32 -3.825571945e+00 -3.280540825e+00 -2.988110429e+00 2.34 -3.842558791e+00 -3.370651347e+00 -3.146219961e+00 2.36 -3.850406396e+00 -3.447793423e+00 -3.285686278e+00 2.38 -3.849938837e+00 -3.512973702e+00 -3.407920781e+00 2.40 -3.841921777e+00 -3.567127901e+00 -3.514238613e+00 2.42 -3.827066058e+00 -3.611125866e+00 -3.605865321e+00 2.44 -3.806031053e+00 -3.645776267e+00 -3.683943037e+00 2.46 -3.779427820e+00 -3.671831046e+00 -3.749536354e+00 2.48 -3.747821971e+00 -3.689990750e+00 -3.803639405e+00 2.50 -3.711736646e+00 -3.700907342e+00 -3.847179513e+00 2.52 -3.671653180e+00 -3.705177908e+00 -3.881007382e+00 2.54 -3.628012395e+00 -3.703349982e+00 -3.905904543e+00 2.56 -3.581222895e+00 -3.695934145e+00 -3.922601782e+00 2.58 -3.531663226e+00 -3.683406827e+00 -3.931782920e+00 2.60 -3.479684267e+00 -3.666212508e+00 -3.934087739e+00 2.62 -3.425611432e+00 -3.644765744e+00 -3.930114692e+00 2.64 -3.369746633e+00 -3.619453032e+00 -3.920423409e+00 2.66 -3.312370002e+00 -3.590634529e+00 -3.905537025e+00 2.68 -3.253741386e+00 -3.558645637e+00 -3.885944323e+00 2.70 -3.194101638e+00 -3.523798467e+00 -3.862101734e+00 2.72 -3.133673764e+00 -3.486383202e+00 -3.834435187e+00 2.74 -3.072663949e+00 -3.446669386e+00 -3.803341865e+00 2.76 -3.011262524e+00 -3.404907142e+00 -3.769191856e+00 2.78 -2.949644880e+00 -3.361328354e+00 -3.732329764e+00 2.80 -2.887972367e+00 -3.316147830e+00 -3.693076253e+00 2.82 -2.826393161e+00 -3.269564438e+00 -3.651729572e+00 2.84 -2.765042614e+00 -3.221762229e+00 -3.608567042e+00 2.86 -2.704018646e+00 -3.172911541e+00 -3.563846492e+00 2.88 -2.643380135e+00 -3.123170049e+00 -3.517807629e+00 2.90 -2.583409262e+00 -3.072683771e+00 -3.470673327e+00 2.92 -2.524127339e+00 -3.021587982e+00 -3.422650789e+00 2.94 -2.465595241e+00 -2.970008050e+00 -3.373932586e+00 2.96 -2.407890652e+00 -2.918060168e+00 -3.324697553e+00 2.98 -2.351083765e+00 -2.865851994e+00 -3.275111550e+00 3.00 -2.295237801e+00 -2.813483214e+00 -3.225328088e+00 3.02 -2.240409488e+00 -2.761044106e+00 -3.175488835e+00 3.04 -2.186649493e+00 -2.708597768e+00 -3.125724038e+00 3.06 -2.134002821e+00 -2.656219091e+00 -3.076152842e+00 3.08 -2.082509167e+00 -2.604066112e+00 -3.026883560e+00 3.10 -2.032203224e+00 -2.552147334e+00 -2.978013867e+00 3.12 -1.983114960e+00 -2.500522247e+00 -2.929630956e+00 3.14 -1.935269833e+00 -2.449246154e+00 -2.881811637e+00 3.16 -1.888688973e+00 -2.398369385e+00 -2.834622389e+00 3.18 -1.843389302e+00 -2.347937608e+00 -2.788119363e+00 3.20 -1.799383611e+00 -2.297992124e+00 -2.742348344e+00 3.22 -1.756680565e+00 -2.248570157e+00 -2.697344674e+00 3.24 -1.715284663e+00 -2.199705127e+00 -2.653133139e+00 3.26 -1.675196108e+00 -2.151426902e+00 -2.609727855e+00 3.28 -1.636410630e+00 -2.103762043e+00 -2.567132151e+00 3.30 -1.598919210e+00 -2.056734031e+00 -2.525338497e+00 3.32 -1.562707745e+00 -2.010363479e+00 -2.484328493e+00 3.34 -1.527756624e+00 -1.964668333e+00 -2.444072973e+00 3.36 -1.494040242e+00 -1.919664061e+00 -2.404532255e+00 3.38 -1.461526446e+00 -1.875363828e+00 -2.365656597e+00 3.40 -1.430175945e+00 -1.831778661e+00 -2.327386911e+00 3.42 -1.399941711e+00 -1.788917607e+00 -2.289655774e+00 3.44 -1.370768414e+00 -1.746787878e+00 -2.252388806e+00 3.46 -1.342591951e+00 -1.705394984e+00 -2.215506430e+00 3.48 -1.315339152e+00 -1.664742867e+00 -2.178923414e+00 3.50 -1.288927754e+00 -1.624834017e+00 -2.142494719e+00 3.52 -1.263266757e+00 -1.585669586e+00 -2.106003938e+00 3.54 -1.238257273e+00 -1.547249494e+00 -2.069650194e+00 3.56 -1.213793980e+00 -1.509572527e+00 -2.033512897e+00 3.58 -1.189767275e+00 -1.472636429e+00 -1.997316921e+00 3.60 -1.166066141e+00 -1.436437993e+00 -1.961023182e+00 3.62 -1.142581719e+00 -1.400973135e+00 -1.924609335e+00 3.64 -1.119211430e+00 -1.366236977e+00 -1.888070879e+00 3.66 -1.095863411e+00 -1.332223913e+00 -1.851421173e+00 3.68 -1.072460913e+00 -1.298927679e+00 -1.814690299e+00 3.70 -1.048946230e+00 -1.266341413e+00 -1.777922848e+00 3.72 -1.025283698e+00 -1.234457712e+00 -1.741174840e+00 3.74 -1.001461362e+00 -1.203268690e+00 -1.704510071e+00 3.76 -9.774910067e-01 -1.172766027e+00 -1.667996272e+00 3.78 -9.534064678e-01 -1.142941012e+00 -1.631701427e+00 3.80 -9.292603386e-01 -1.113784594e+00 -1.595690572e+00 3.82 -9.051194181e-01 -1.085287418e+00 -1.560023294e+00 3.84 -8.810594021e-01 -1.057439866e+00 -1.524752048e+00 3.86 -8.571593988e-01 -1.030232090e+00 -1.489921281e+00 3.88 -8.334968318e-01 -1.003654046e+00 -1.455567289e+00 3.90 -8.101431886e-01 -9.776955277e-01 -1.421718650e+00 3.92 -7.871609120e-01 -9.523461895e-01 -1.388397046e+00 3.94 -7.646015489e-01 -9.275955776e-01 -1.355618301e+00 3.96 -7.425051012e-01 -9.034331523e-01 -1.323393463e+00 3.98 -7.209003918e-01 -8.798483116e-01 -1.291729830e+00 4.00 -6.998061762e-01 -8.568304118e-01 -1.260631826e+00 4.02 -6.783192452e-01 -8.343687870e-01 -1.230101718e+00 4.04 -6.439210424e-01 -8.124527671e-01 -1.200140145e+00 4.06 -5.686838451e-01 -7.910716945e-01 -1.170746509e+00 4.08 -4.696074458e-01 -7.702149391e-01 -1.141919240e+00 4.10 -4.534006245e-01 -7.498719121e-01 -1.113655981e+00 4.12 -4.398912248e-01 -7.300320794e-01 -1.085953706e+00 4.14 -4.267625056e-01 -7.106849730e-01 -1.058808812e+00 4.16 -4.140049198e-01 -6.918202016e-01 -1.032217180e+00 4.18 -4.016090888e-01 -6.734274608e-01 -1.006174227e+00 4.20 -3.895658046e-01 -6.554965417e-01 -9.806749555e-01 4.22 -3.778660316e-01 -6.380173391e-01 -9.557139875e-01 4.24 -3.665009070e-01 -6.209798589e-01 -9.312856061e-01 4.26 -3.554617421e-01 -6.042749844e-01 -9.073837875e-01 4.28 -3.447400223e-01 -5.859357797e-01 -8.840022336e-01 4.30 -3.343274071e-01 -5.609865542e-01 -8.611344012e-01 4.32 -3.242157297e-01 -5.289746356e-01 -8.387735306e-01 4.34 -3.143969965e-01 -5.100154821e-01 -8.169126706e-01 4.36 -3.048633861e-01 -4.965589858e-01 -7.955447034e-01 4.38 -2.956072482e-01 -4.834264715e-01 -7.746623666e-01 4.40 -2.863566672e-01 -4.706107194e-01 -7.542582745e-01 4.42 -2.724634619e-01 -4.581046589e-01 -7.343249375e-01 4.44 -2.420936179e-01 -4.459013671e-01 -7.148547801e-01 4.46 -1.890957840e-01 -4.339940690e-01 -6.958401581e-01 4.48 -1.017446292e-01 -4.223761359e-01 -6.772733740e-01 4.50 -9.874059958e-02 -4.110410840e-01 -6.591466917e-01 4.52 -9.582341603e-02 -3.999825730e-01 -6.414523501e-01 4.54 -9.299057805e-02 -3.891944039e-01 -6.241825750e-01 4.56 -9.023966001e-02 -3.786705174e-01 -6.073295916e-01 4.58 -8.756830861e-02 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