# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Ti-Mn # implementation = 2025--Sharifi-H--Ni-Ti-Mn--LAMMPS--ipr1 # composition = MnNiTi2 # 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 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 9.141477659e+02 9.141477659e+02 1.00 8.578422446e+02 8.578422446e+02 1.02 8.029026808e+02 8.029026808e+02 1.04 7.495471892e+02 7.495471892e+02 1.06 6.979939040e+02 6.979939040e+02 1.08 6.484393150e+02 6.484393150e+02 1.10 6.010465440e+02 6.010465440e+02 1.12 5.559399969e+02 5.559399969e+02 1.14 5.132042960e+02 5.132042960e+02 1.16 4.728860019e+02 4.728860019e+02 1.18 4.349970018e+02 4.349970018e+02 1.20 3.995188013e+02 3.995188013e+02 1.22 3.664071889e+02 3.664071889e+02 1.24 3.355968932e+02 3.355968932e+02 1.26 3.070060153e+02 3.070060153e+02 1.28 2.805400901e+02 2.805400901e+02 1.30 2.560956980e+02 2.560956980e+02 1.32 2.335636076e+02 2.335636076e+02 1.34 2.128314455e+02 2.128314455e+02 1.36 1.937859169e+02 1.937859169e+02 1.38 1.763146169e+02 1.763146169e+02 1.40 1.603074681e+02 1.603074681e+02 1.42 1.456578331e+02 1.456578331e+02 1.44 1.322633441e+02 1.322633441e+02 1.46 1.200264916e+02 1.200264916e+02 1.48 1.088550120e+02 1.088550120e+02 1.50 9.866210867e+01 9.866210867e+01 1.52 8.936653890e+01 8.936653890e+01 1.54 8.089259309e+01 8.089259309e+01 1.56 7.316999040e+01 7.316999040e+01 1.58 6.613371133e+01 6.613371133e+01 1.60 5.972378340e+01 5.972378340e+01 1.62 5.388503489e+01 5.388503489e+01 1.64 4.856682793e+01 4.856682793e+01 1.66 4.372277976e+01 4.372277976e+01 1.68 3.931048040e+01 3.931048040e+01 1.70 3.529121203e+01 3.529121203e+01 1.72 3.162967426e+01 3.162967426e+01 1.74 2.829371941e+01 2.829371941e+01 1.76 2.525409913e+01 2.525409913e+01 1.78 2.248422417e+01 2.248422417e+01 1.80 1.995993766e+01 1.995993766e+01 1.82 1.765930646e+01 1.765930646e+01 1.84 1.556242562e+01 1.556242562e+01 1.86 1.365123675e+01 1.365123675e+01 1.88 1.190936076e+01 1.190936076e+01 1.90 1.032194092e+01 1.032194092e+01 1.92 8.875491987e+00 8.875491987e+00 1.94 7.557765047e+00 7.557765047e+00 1.96 6.357627588e+00 6.357627588e+00 1.98 5.264949810e+00 5.264949810e+00 2.00 4.270487494e+00 4.270487494e+00 2.02 3.365794301e+00 3.365794301e+00 2.04 2.543148723e+00 2.543148723e+00 2.06 1.795490698e+00 1.795490698e+00 2.08 1.116368121e+00 1.116368121e+00 2.10 4.999038724e-01 4.999038724e-01 2.12 -5.926741291e-02 -5.926741291e-02 2.14 -5.660541186e-01 -5.660541186e-01 2.16 -1.024946280e+00 -1.024946280e+00 2.18 -1.440050879e+00 -1.440050879e+00 2.20 -1.815124201e+00 -1.815124201e+00 2.22 -2.153601482e+00 -2.153601482e+00 2.24 -2.458624069e+00 -2.458624069e+00 2.26 -2.733064316e+00 -2.733064316e+00 2.28 -2.979548392e+00 -2.979548392e+00 2.30 -3.200477184e+00 -3.200477184e+00 2.32 -3.398045447e+00 -3.398045447e+00 2.34 -3.574259350e+00 -3.574259350e+00 2.36 -3.730952553e+00 -3.730952553e+00 2.38 -3.869800934e+00 -3.869800934e+00 2.40 -3.992336075e+00 -3.992336075e+00 2.42 -4.099956780e+00 -4.099956780e+00 2.44 -4.193879071e+00 -4.193879071e+00 2.46 -4.275110342e+00 -4.275110342e+00 2.48 -4.344540486e+00 -4.344540486e+00 2.50 -4.402991662e+00 -4.402991662e+00 2.52 -4.451234082e+00 -4.451234082e+00 2.54 -4.489990879e+00 -4.489990879e+00 2.56 -4.519964602e+00 -4.519964602e+00 2.58 -4.541831166e+00 -4.541831166e+00 2.60 -4.556219642e+00 -4.556219642e+00 2.62 -4.563714948e+00 -4.563714948e+00 2.64 -4.564861022e+00 -4.564861022e+00 2.66 -4.560163770e+00 -4.560163770e+00 2.68 -4.550093793e+00 -4.550093793e+00 2.70 -4.535088920e+00 -4.535088920e+00 2.72 -4.515556550e+00 -4.515556550e+00 2.74 -4.491875828e+00 -4.491875828e+00 2.76 -4.464399650e+00 -4.464399650e+00 2.78 -4.433456526e+00 -4.433456526e+00 2.80 -4.399352292e+00 -4.399352292e+00 2.82 -4.362371684e+00 -4.362371684e+00 2.84 -4.322779798e+00 -4.322779798e+00 2.86 -4.280823422e+00 -4.280823422e+00 2.88 -4.236732276e+00 -4.236732276e+00 2.90 -4.190720158e+00 -4.190720158e+00 2.92 -4.142986001e+00 -4.142986001e+00 2.94 -4.093714874e+00 -4.093714874e+00 2.96 -4.043078902e+00 -4.043078902e+00 2.98 -3.991238136e+00 -3.991238136e+00 3.00 -3.938341365e+00 -3.938341365e+00 3.02 -3.884526872e+00 -3.884526872e+00 3.04 -3.829923142e+00 -3.829923142e+00 3.06 -3.774649523e+00 -3.774649523e+00 3.08 -3.718816835e+00 -3.718816835e+00 3.10 -3.662527939e+00 -3.662527939e+00 3.12 -3.605878271e+00 -3.605878271e+00 3.14 -3.548956330e+00 -3.548956330e+00 3.16 -3.491844143e+00 -3.491844143e+00 3.18 -3.434617688e+00 -3.434617688e+00 3.20 -3.377347295e+00 -3.377347295e+00 3.22 -3.320098020e+00 -3.320098020e+00 3.24 -3.262929993e+00 -3.262929993e+00 3.26 -3.205898738e+00 -3.205898738e+00 3.28 -3.149055485e+00 -3.149055485e+00 3.30 -3.092447450e+00 -3.092447450e+00 3.32 -3.036118106e+00 -3.036118106e+00 3.34 -2.980107450e+00 -2.980107450e+00 3.36 -2.924452251e+00 -2.924452251e+00 3.38 -2.869186301e+00 -2.869186301e+00 3.40 -2.814340670e+00 -2.814340670e+00 3.42 -2.759943963e+00 -2.759943963e+00 3.44 -2.706022584e+00 -2.706022584e+00 3.46 -2.652601011e+00 -2.652601011e+00 3.48 -2.599702087e+00 -2.599702087e+00 3.50 -2.547347307e+00 -2.547347307e+00 3.52 -2.495557125e+00 -2.495557125e+00 3.54 -2.444351256e+00 -2.444351256e+00 3.56 -2.393748980e+00 -2.393748980e+00 3.58 -2.343769434e+00 -2.343769434e+00 3.60 -2.294431888e+00 -2.294431888e+00 3.62 -2.245755995e+00 -2.245755995e+00 3.64 -2.197761999e+00 -2.197761999e+00 3.66 -2.150470886e+00 -2.150470886e+00 3.68 -2.103904472e+00 -2.103904472e+00 3.70 -2.058085389e+00 -2.058085389e+00 3.72 -2.013036977e+00 -2.013036977e+00 3.74 -1.968783055e+00 -1.968783055e+00 3.76 -1.925347558e+00 -1.925347558e+00 3.78 -1.882754051e+00 -1.882754051e+00 3.80 -1.841025127e+00 -1.841025127e+00 3.82 -1.800181712e+00 -1.800181712e+00 3.84 -1.760242319e+00 -1.760242319e+00 3.86 -1.721222295e+00 -1.721222295e+00 3.88 -1.683133133e+00 -1.683133133e+00 3.90 -1.645981897e+00 -1.645981897e+00 3.92 -1.609770833e+00 -1.609770833e+00 3.94 -1.574497189e+00 -1.574497189e+00 3.96 -1.540153299e+00 -1.540153299e+00 3.98 -1.506726907e+00 -1.506726907e+00 4.00 -1.474201724e+00 -1.474201724e+00 4.02 -1.442558172e+00 -1.442558172e+00 4.04 -1.411774253e+00 -1.411774253e+00 4.06 -1.381826463e+00 -1.381826463e+00 4.08 -1.352690702e+00 -1.352690702e+00 4.10 -1.324343079e+00 -1.324343079e+00 4.12 -1.296760597e+00 -1.296760597e+00 4.14 -1.269921646e+00 -1.269921646e+00 4.16 -1.243806307e+00 -1.243806307e+00 4.18 -1.218396465e+00 -1.218396465e+00 4.20 -1.193675744e+00 -1.193675744e+00 4.22 -1.169629290e+00 -1.169629290e+00 4.24 -1.146243455e+00 -1.146243455e+00 4.26 -1.122621340e+00 -1.122621340e+00 4.28 -1.080343885e+00 -1.080343885e+00 4.30 -9.629409950e-01 -9.629409950e-01 4.32 -7.132408406e-01 -7.132408406e-01 4.34 -6.001411754e-01 -6.001411754e-01 4.36 -5.823409151e-01 -5.823409151e-01 4.38 -5.650111233e-01 -5.650111233e-01 4.40 -5.481425132e-01 -5.481425132e-01 4.42 -5.317258986e-01 -5.317258986e-01 4.44 -5.157521673e-01 -5.157521673e-01 4.46 -5.002122675e-01 -5.002122675e-01 4.48 -4.850972040e-01 -4.850972040e-01 4.50 -4.703980382e-01 -4.703980382e-01 4.52 -4.561058909e-01 -4.561058909e-01 4.54 -4.422119464e-01 -4.422119464e-01 4.56 -4.287074563e-01 -4.287074563e-01 4.58 -4.155837440e-01 -4.155837440e-01 4.60 -4.028322084e-01 -4.028322084e-01 4.62 -3.904443286e-01 -3.904443286e-01 4.64 -3.784116668e-01 -3.784116668e-01 4.66 -3.667258727e-01 -3.667258727e-01 4.68 -3.553786868e-01 -3.553786868e-01 4.70 -3.443619437e-01 -3.443619437e-01 4.72 -3.336675759e-01 -3.336675759e-01 4.74 -3.232876160e-01 -3.232876160e-01 4.76 -3.132142007e-01 -3.132142007e-01 4.78 -3.034395731e-01 -3.034395731e-01 4.80 -2.939560857e-01 -2.939560857e-01 4.82 -2.847562027e-01 -2.847562027e-01 4.84 -2.758325028e-01 -2.758325028e-01 4.86 -2.671776817e-01 -2.671776817e-01 4.88 -2.587845534e-01 -2.587845534e-01 4.90 -2.506460534e-01 -2.506460534e-01 4.92 -2.423161059e-01 -2.423161059e-01 4.94 -2.282993603e-01 -2.282993603e-01 4.96 -1.936723058e-01 -1.936723058e-01 4.98 -1.129836035e-01 -1.129836035e-01 5.00 -1.416453714e-22 -1.418330348e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00