# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Ko-W-S-Lee-B-J--V-Pd-Y # implementation = 2013--Ko-W-S--V-Pd-Y--LAMMPS--ipr1 # composition = Pd2VY # 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 2022-05-24 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 2.272769314e+02 2.272769314e+02 1.14 2.166253914e+02 2.166253914e+02 1.16 2.063605522e+02 2.063605522e+02 1.18 1.964748728e+02 1.964748728e+02 1.20 1.869604006e+02 1.869604006e+02 1.22 1.778088398e+02 1.778088398e+02 1.24 1.690116147e+02 1.690116147e+02 1.26 1.605599266e+02 1.605599266e+02 1.28 1.524448049e+02 1.524448049e+02 1.30 1.446571545e+02 1.446571545e+02 1.32 1.371877972e+02 1.371877972e+02 1.34 1.300275100e+02 1.300275100e+02 1.36 1.231670589e+02 1.231670589e+02 1.38 1.165972295e+02 1.165972295e+02 1.40 1.103088538e+02 1.103088538e+02 1.42 1.042928345e+02 1.042928345e+02 1.44 9.854016625e+01 9.854016625e+01 1.46 9.304195443e+01 9.304195443e+01 1.48 8.778943153e+01 8.778943153e+01 1.50 8.277397141e+01 8.277397141e+01 1.52 7.798710166e+01 7.798710166e+01 1.54 7.342051405e+01 7.342051405e+01 1.56 6.906607348e+01 6.906607348e+01 1.58 6.491582534e+01 6.491582534e+01 1.60 6.096200157e+01 6.096200157e+01 1.62 5.719702548e+01 5.719702548e+01 1.64 5.361351547e+01 5.361351547e+01 1.66 5.020428768e+01 5.020428768e+01 1.68 4.696235785e+01 4.696235785e+01 1.70 4.388094227e+01 4.388094227e+01 1.72 4.095345797e+01 4.095345797e+01 1.74 3.817352240e+01 3.817352240e+01 1.76 3.553495236e+01 3.553495236e+01 1.78 3.303176248e+01 3.303176248e+01 1.80 3.065816329e+01 3.065816329e+01 1.82 2.840855878e+01 2.840855878e+01 1.84 2.627754369e+01 2.627754369e+01 1.86 2.425990042e+01 2.425990042e+01 1.88 2.235059578e+01 2.235059578e+01 1.90 2.054477737e+01 2.054477737e+01 1.92 1.883776990e+01 1.883776990e+01 1.94 1.722507125e+01 1.722507125e+01 1.96 1.570234846e+01 1.570234846e+01 1.98 1.426543360e+01 1.426543360e+01 2.00 1.291031954e+01 1.291031954e+01 2.02 1.163315567e+01 1.163315567e+01 2.04 1.043024361e+01 1.043024361e+01 2.06 9.298032829e+00 9.298032829e+00 2.08 8.233116366e+00 8.233116366e+00 2.10 7.232226433e+00 7.232226433e+00 2.12 6.292230137e+00 6.292230137e+00 2.14 5.410125182e+00 5.410125182e+00 2.16 4.583035637e+00 4.583035637e+00 2.18 3.808207745e+00 3.808207745e+00 2.20 3.083005788e+00 3.083005788e+00 2.22 2.404908028e+00 2.404908028e+00 2.24 1.771502709e+00 1.771502709e+00 2.26 1.180484137e+00 1.180484137e+00 2.28 6.296488457e-01 6.296488457e-01 2.30 1.168918402e-01 1.168918402e-01 2.32 -3.597970710e-01 -3.597970710e-01 2.34 -8.023368560e-01 -8.023368560e-01 2.36 -1.212558746e+00 -1.212558746e+00 2.38 -1.592209633e+00 -1.592209633e+00 2.40 -1.942955372e+00 -1.942955372e+00 2.42 -2.266383993e+00 -2.266383993e+00 2.44 -2.564008818e+00 -2.564008818e+00 2.46 -2.837271480e+00 -2.837271480e+00 2.48 -3.087544856e+00 -3.087544856e+00 2.50 -3.316135907e+00 -3.316135907e+00 2.52 -3.524288420e+00 -3.524288420e+00 2.54 -3.713185664e+00 -3.713185664e+00 2.56 -3.883952961e+00 -3.883952961e+00 2.58 -4.037660160e+00 -4.037660160e+00 2.60 -4.175324031e+00 -4.175324031e+00 2.62 -4.297910572e+00 -4.297910572e+00 2.64 -4.406337236e+00 -4.406337236e+00 2.66 -4.501475071e+00 -4.501475071e+00 2.68 -4.584150784e+00 -4.584150784e+00 2.70 -4.655148732e+00 -4.655148732e+00 2.72 -4.715212827e+00 -4.715212827e+00 2.74 -4.765048374e+00 -4.765048374e+00 2.76 -4.805323842e+00 -4.805323842e+00 2.78 -4.836672553e+00 -4.836672553e+00 2.80 -4.859694314e+00 -4.859694314e+00 2.82 -4.874956977e+00 -4.874956977e+00 2.84 -4.882997941e+00 -4.882997941e+00 2.86 -4.884325590e+00 -4.884325590e+00 2.88 -4.879420665e+00 -4.879420665e+00 2.90 -4.868737591e+00 -4.868737591e+00 2.92 -4.852705737e+00 -4.852705737e+00 2.94 -4.831730627e+00 -4.831730627e+00 2.96 -4.806195101e+00 -4.806195101e+00 2.98 -4.776460421e+00 -4.776460421e+00 3.00 -4.742867330e+00 -4.742867330e+00 3.02 -4.705737070e+00 -4.705737070e+00 3.04 -4.665372344e+00 -4.665372344e+00 3.06 -4.622058248e+00 -4.622058248e+00 3.08 -4.576063151e+00 -4.576063151e+00 3.10 -4.527639540e+00 -4.527639540e+00 3.12 -4.477024826e+00 -4.477024826e+00 3.14 -4.424442114e+00 -4.424442114e+00 3.16 -4.370100933e+00 -4.370100933e+00 3.18 -4.314197939e+00 -4.314197939e+00 3.20 -4.256917581e+00 -4.256917581e+00 3.22 -4.198432739e+00 -4.198432739e+00 3.24 -4.138905325e+00 -4.138905325e+00 3.26 -4.078486867e+00 -4.078486867e+00 3.28 -4.017319052e+00 -4.017319052e+00 3.30 -3.955534257e+00 -3.955534257e+00 3.32 -3.893256042e+00 -3.893256042e+00 3.34 -3.830599631e+00 -3.830599631e+00 3.36 -3.767672354e+00 -3.767672354e+00 3.38 -3.704574089e+00 -3.704574089e+00 3.40 -3.641397662e+00 -3.641397662e+00 3.42 -3.578229237e+00 -3.578229237e+00 3.44 -3.515148692e+00 -3.515148692e+00 3.46 -3.452229961e+00 -3.452229961e+00 3.48 -3.389541378e+00 -3.389541378e+00 3.50 -3.327145985e+00 -3.327145985e+00 3.52 -3.265101842e+00 -3.265101842e+00 3.54 -3.203462306e+00 -3.203462306e+00 3.56 -3.142276310e+00 -3.142276310e+00 3.58 -3.081588614e+00 -3.081588614e+00 3.60 -3.021440056e+00 -3.021440056e+00 3.62 -2.961867783e+00 -2.961867783e+00 3.64 -2.902905467e+00 -2.902905467e+00 3.66 -2.844583523e+00 -2.844583523e+00 3.68 -2.786929298e+00 -2.786929298e+00 3.70 -2.729967266e+00 -2.729967266e+00 3.72 -2.673719204e+00 -2.673719204e+00 3.74 -2.618204358e+00 -2.618204358e+00 3.76 -2.563439610e+00 -2.563439610e+00 3.78 -2.509439621e+00 -2.509439621e+00 3.80 -2.456216981e+00 -2.456216981e+00 3.82 -2.403782340e+00 -2.403782340e+00 3.84 -2.352144543e+00 -2.352144543e+00 3.86 -2.301310742e+00 -2.301310742e+00 3.88 -2.251286521e+00 -2.251286521e+00 3.90 -2.202075996e+00 -2.202075996e+00 3.92 -2.153681923e+00 -2.153681923e+00 3.94 -2.106105793e+00 -2.106105793e+00 3.96 -2.059347924e+00 -2.059347924e+00 3.98 -2.013407547e+00 -2.013407547e+00 4.00 -1.968282887e+00 -1.968282887e+00 4.02 -1.923971241e+00 -1.923971241e+00 4.04 -1.880469049e+00 -1.880469049e+00 4.06 -1.837771965e+00 -1.837771965e+00 4.08 -1.795874918e+00 -1.795874918e+00 4.10 -1.754772174e+00 -1.754772174e+00 4.12 -1.714457394e+00 -1.714457394e+00 4.14 -1.674923685e+00 -1.674923685e+00 4.16 -1.636163652e+00 -1.636163652e+00 4.18 -1.598169447e+00 -1.598169447e+00 4.20 -1.560932810e+00 -1.560932810e+00 4.22 -1.524445113e+00 -1.524445113e+00 4.24 -1.488697396e+00 -1.488697396e+00 4.26 -1.453680408e+00 -1.453680408e+00 4.28 -1.419384640e+00 -1.419384640e+00 4.30 -1.385800354e+00 -1.385800354e+00 4.32 -1.352917615e+00 -1.352917615e+00 4.34 -1.320726322e+00 -1.320726322e+00 4.36 -1.289216227e+00 -1.289216227e+00 4.38 -1.258376969e+00 -1.258376969e+00 4.40 -1.228198086e+00 -1.228198086e+00 4.42 -1.198669045e+00 -1.198669045e+00 4.44 -1.169779256e+00 -1.169779256e+00 4.46 -1.141518096e+00 -1.141518096e+00 4.48 -1.113874917e+00 -1.113874917e+00 4.50 -1.086839071e+00 -1.086839071e+00 4.52 -1.060399919e+00 -1.060399919e+00 4.54 -1.034546845e+00 -1.034546845e+00 4.56 -1.009269272e+00 -1.009269272e+00 4.58 -9.845566660e-01 -9.845566660e-01 4.60 -9.603985550e-01 -9.603985550e-01 4.62 -9.367845324e-01 -9.367845324e-01 4.64 -9.137042680e-01 -9.137042680e-01 4.66 -8.911475159e-01 -8.911475159e-01 4.68 -8.691041216e-01 -8.691041216e-01 4.70 -8.475640282e-01 -8.475640282e-01 4.72 -8.265172830e-01 -8.265172830e-01 4.74 -8.059540423e-01 -8.059540423e-01 4.76 -7.858645761e-01 -7.858645761e-01 4.78 -7.662392730e-01 -7.662392730e-01 4.80 -7.470686432e-01 -7.470686432e-01 4.82 -7.283433222e-01 -7.283433222e-01 4.84 -7.100540738e-01 -7.100540738e-01 4.86 -6.921917922e-01 -6.921917922e-01 4.88 -6.747475044e-01 -6.747475044e-01 4.90 -6.577123718e-01 -6.577123718e-01 4.92 -6.410776917e-01 -6.410776917e-01 4.94 -6.248348987e-01 -6.248348987e-01 4.96 -6.089755651e-01 -6.089755651e-01 4.98 -5.934914019e-01 -5.934914019e-01 5.00 -5.783742589e-01 -5.783742589e-01 5.02 -5.636161253e-01 -5.636161253e-01 5.04 -5.492091289e-01 -5.492091289e-01 5.06 -5.351455367e-01 -5.351455367e-01 5.08 -5.214177541e-01 -5.214177541e-01 5.10 -5.080183242e-01 -5.080183242e-01 5.12 -4.949640808e-01 -4.949640808e-01 5.14 -4.838515429e-01 -4.838515429e-01 5.16 -4.786853915e-01 -4.786853915e-01 5.18 -4.535923503e-01 -4.535923503e-01 5.20 -3.813618086e-01 -3.813618086e-01 5.22 -3.712940667e-01 -3.712940667e-01 5.24 -3.614692825e-01 -3.614692825e-01 5.26 -3.518819008e-01 -3.518819008e-01 5.28 -3.425264806e-01 -3.425264806e-01 5.30 -3.333976936e-01 -3.333976936e-01 5.32 -3.244903225e-01 -3.244903225e-01 5.34 -3.157992591e-01 -3.157992591e-01 5.36 -3.073195030e-01 -3.073195030e-01 5.38 -2.990461595e-01 -2.990461595e-01 5.40 -2.909744382e-01 -2.909744382e-01 5.42 -2.830996510e-01 -2.830996510e-01 5.44 -2.754172107e-01 -2.754172107e-01 5.46 -2.679226290e-01 -2.679226290e-01 5.48 -2.606115149e-01 -2.606115149e-01 5.50 -2.534795729e-01 -2.534795729e-01 5.52 -2.465226014e-01 -2.465226014e-01 5.54 -2.397364909e-01 -2.397364909e-01 5.56 -2.331172225e-01 -2.331172225e-01 5.58 -2.266608658e-01 -2.266608658e-01 5.60 -2.203635778e-01 -2.203635778e-01 5.62 -2.142216009e-01 -2.142216009e-01 5.64 -2.082312612e-01 -2.082312612e-01 5.66 -2.023889671e-01 -2.023889671e-01 5.68 -1.966912078e-01 -1.966912078e-01 5.70 -1.911345512e-01 -1.911345512e-01 5.72 -1.857156431e-01 -1.857156431e-01 5.74 -1.804312051e-01 -1.804312051e-01 5.76 -1.752780332e-01 -1.752780332e-01 5.78 -1.702529964e-01 -1.702529964e-01 5.80 -1.653530352e-01 -1.653530352e-01 5.82 -1.605751604e-01 -1.605751604e-01 5.84 -1.559164510e-01 -1.559164510e-01 5.86 -1.513740535e-01 -1.513740535e-01 5.88 -1.469451804e-01 -1.469451804e-01 5.90 -1.426271084e-01 -1.426271084e-01 5.92 -1.386524379e-01 -1.386524379e-01 5.94 -1.378957507e-01 -1.378957507e-01 5.96 -1.426607407e-01 -1.426607407e-01 5.98 -1.201935571e-01 -1.201935571e-01 6.00 -3.786462414e-22 -3.755588606e-22