# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--Hf-Nb-Zr-Ti-Ta # implementation = 2026--Wu-Y--Hf-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = HfNbTa2 # 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 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 4.132914069e+02 4.132914069e+02 1.28 3.844216367e+02 3.844216367e+02 1.30 3.576398802e+02 3.576398802e+02 1.32 3.327798743e+02 3.327798743e+02 1.34 3.096891831e+02 3.096891831e+02 1.36 2.882286095e+02 2.882286095e+02 1.38 2.682709227e+02 2.682709227e+02 1.40 2.497006100e+02 2.497006100e+02 1.42 2.324121997e+02 2.324121997e+02 1.44 2.163078758e+02 2.163078758e+02 1.46 2.012966393e+02 2.012966393e+02 1.48 1.872943438e+02 1.872943438e+02 1.50 1.742228990e+02 1.742228990e+02 1.52 1.620100643e+02 1.620100643e+02 1.54 1.505907539e+02 1.505907539e+02 1.56 1.399082512e+02 1.399082512e+02 1.58 1.299130081e+02 1.299130081e+02 1.60 1.205602155e+02 1.205602155e+02 1.62 1.118088466e+02 1.118088466e+02 1.64 1.036211130e+02 1.036211130e+02 1.66 9.596190916e+01 9.596190916e+01 1.68 8.879858633e+01 8.879858633e+01 1.70 8.210057633e+01 8.210057633e+01 1.72 7.583900670e+01 7.583900670e+01 1.74 6.998780243e+01 6.998780243e+01 1.76 6.453277952e+01 6.453277952e+01 1.78 5.944934167e+01 5.944934167e+01 1.80 5.471059167e+01 5.471059167e+01 1.82 5.029133936e+01 5.029133936e+01 1.84 4.616897336e+01 4.616897336e+01 1.86 4.232343884e+01 4.232343884e+01 1.88 3.873721165e+01 3.873721165e+01 1.90 3.539470906e+01 3.539470906e+01 1.92 3.228154144e+01 3.228154144e+01 1.94 2.938380282e+01 2.938380282e+01 1.96 2.668774630e+01 2.668774630e+01 1.98 2.417985218e+01 2.417985218e+01 2.00 2.184689738e+01 2.184689738e+01 2.02 1.967607309e+01 1.967607309e+01 2.04 1.765517377e+01 1.765517377e+01 2.06 1.577279886e+01 1.577279886e+01 2.08 1.401858630e+01 1.401858630e+01 2.10 1.238326695e+01 1.238326695e+01 2.12 1.085864822e+01 1.085864822e+01 2.14 9.437398887e+00 9.437398887e+00 2.16 8.113028972e+00 8.113028972e+00 2.18 6.879616438e+00 6.879616438e+00 2.20 5.731712334e+00 5.731712334e+00 2.22 4.664266292e+00 4.664266292e+00 2.24 3.672584799e+00 3.672584799e+00 2.26 2.752251351e+00 2.752251351e+00 2.28 1.898969158e+00 1.898969158e+00 2.30 1.108530748e+00 1.108530748e+00 2.32 3.766615833e-01 3.766615833e-01 2.34 -3.009283640e-01 -3.009283640e-01 2.36 -9.284207952e-01 -9.284207952e-01 2.38 -1.509809086e+00 -1.509809086e+00 2.40 -2.048712867e+00 -2.048712867e+00 2.42 -2.548398551e+00 -2.548398551e+00 2.44 -3.011757910e+00 -3.011757910e+00 2.46 -3.441333737e+00 -3.441333737e+00 2.48 -3.839368370e+00 -3.839368370e+00 2.50 -4.207872283e+00 -4.207872283e+00 2.52 -4.548701331e+00 -4.548701331e+00 2.54 -4.863624865e+00 -4.863624865e+00 2.56 -5.154362868e+00 -5.154362868e+00 2.58 -5.422561725e+00 -5.422561725e+00 2.60 -5.669840867e+00 -5.669840867e+00 2.62 -5.897584359e+00 -5.897584359e+00 2.64 -6.106976657e+00 -6.106976657e+00 2.66 -6.298940839e+00 -6.298940839e+00 2.68 -6.474173886e+00 -6.474173886e+00 2.70 -6.633249965e+00 -6.633249965e+00 2.72 -6.776741068e+00 -6.776741068e+00 2.74 -6.905263675e+00 -6.905263675e+00 2.76 -7.019583903e+00 -7.019583903e+00 2.78 -7.120363071e+00 -7.120363071e+00 2.80 -7.206257091e+00 -7.206257091e+00 2.82 -7.277360759e+00 -7.277360759e+00 2.84 -7.335123023e+00 -7.335123023e+00 2.86 -7.380849547e+00 -7.380849547e+00 2.88 -7.415716638e+00 -7.415716638e+00 2.90 -7.440611154e+00 -7.440611154e+00 2.92 -7.456212827e+00 -7.456212827e+00 2.94 -7.463137118e+00 -7.463137118e+00 2.96 -7.461938245e+00 -7.461938245e+00 2.98 -7.453257665e+00 -7.453257665e+00 3.00 -7.437893330e+00 -7.437893330e+00 3.02 -7.416063240e+00 -7.416063240e+00 3.04 -7.387641662e+00 -7.387641662e+00 3.06 -7.352468552e+00 -7.352468552e+00 3.08 -7.310504497e+00 -7.310504497e+00 3.10 -7.261572819e+00 -7.261572819e+00 3.12 -7.205545736e+00 -7.205545736e+00 3.14 -7.142301097e+00 -7.142301097e+00 3.16 -7.071734534e+00 -7.071734534e+00 3.18 -6.993776138e+00 -6.993776138e+00 3.20 -6.908411760e+00 -6.908411760e+00 3.22 -6.815705821e+00 -6.815705821e+00 3.24 -6.715824102e+00 -6.715824102e+00 3.26 -6.609050817e+00 -6.609050817e+00 3.28 -6.495798074e+00 -6.495798074e+00 3.30 -6.376604165e+00 -6.376604165e+00 3.32 -6.252122973e+00 -6.252122973e+00 3.34 -6.123094650e+00 -6.123094650e+00 3.36 -5.990375413e+00 -5.990375413e+00 3.38 -5.854834589e+00 -5.854834589e+00 3.40 -5.717382772e+00 -5.717382772e+00 3.42 -5.578919456e+00 -5.578919456e+00 3.44 -5.440283406e+00 -5.440283406e+00 3.46 -5.302198391e+00 -5.302198391e+00 3.48 -5.165221464e+00 -5.165221464e+00 3.50 -5.029709443e+00 -5.029709443e+00 3.52 -4.895809413e+00 -4.895809413e+00 3.54 -4.763475962e+00 -4.763475962e+00 3.56 -4.632507690e+00 -4.632507690e+00 3.58 -4.502594101e+00 -4.502594101e+00 3.60 -4.373364157e+00 -4.373364157e+00 3.62 -4.244430470e+00 -4.244430470e+00 3.64 -4.115427496e+00 -4.115427496e+00 3.66 -3.986042577e+00 -3.986042577e+00 3.68 -3.856041131e+00 -3.856041131e+00 3.70 -3.725286470e+00 -3.725286470e+00 3.72 -3.593755633e+00 -3.593755633e+00 3.74 -3.461549129e+00 -3.461549129e+00 3.76 -3.328895387e+00 -3.328895387e+00 3.78 -3.196148471e+00 -3.196148471e+00 3.80 -3.063778242e+00 -3.063778242e+00 3.82 -2.932352128e+00 -2.932352128e+00 3.84 -2.802510309e+00 -2.802510309e+00 3.86 -2.674909682e+00 -2.674909682e+00 3.88 -2.550299145e+00 -2.550299145e+00 3.90 -2.429316670e+00 -2.429316670e+00 3.92 -2.312580873e+00 -2.312580873e+00 3.94 -2.200636492e+00 -2.200636492e+00 3.96 -2.093938715e+00 -2.093938715e+00 3.98 -1.992843034e+00 -1.992843034e+00 4.00 -1.897600425e+00 -1.897600425e+00 4.02 -1.808365126e+00 -1.808365126e+00 4.04 -1.725066142e+00 -1.725066142e+00 4.06 -1.647856617e+00 -1.647856617e+00 4.08 -1.576466189e+00 -1.576466189e+00 4.10 -1.510656044e+00 -1.510656044e+00 4.12 -1.450118098e+00 -1.450118098e+00 4.14 -1.394492950e+00 -1.394492950e+00 4.16 -1.343389087e+00 -1.343389087e+00 4.18 -1.296401324e+00 -1.296401324e+00 4.20 -1.253126694e+00 -1.253126694e+00 4.22 -1.213176857e+00 -1.213176857e+00 4.24 -1.176187085e+00 -1.176187085e+00 4.26 -1.141820724e+00 -1.141820724e+00 4.28 -1.109770621e+00 -1.109770621e+00 4.30 -1.079768721e+00 -1.079768721e+00 4.32 -1.051576913e+00 -1.051576913e+00 4.34 -1.024985197e+00 -1.024985197e+00 4.36 -9.998099195e-01 -9.998099195e-01 4.38 -9.758915557e-01 -9.758915557e-01 4.40 -9.530921855e-01 -9.530921855e-01 4.42 -9.312928178e-01 -9.312928178e-01 4.44 -9.103909365e-01 -9.103909365e-01 4.46 -8.902982821e-01 -8.902982821e-01 4.48 -8.709387673e-01 -8.709387673e-01 4.50 -8.522467005e-01 -8.522467005e-01 4.52 -8.341653069e-01 -8.341653069e-01 4.54 -8.166454186e-01 -8.166454186e-01 4.56 -7.996443494e-01 -7.996443494e-01 4.58 -7.831249723e-01 -7.831249723e-01 4.60 -7.670549273e-01 -7.670549273e-01 4.62 -7.514059135e-01 -7.514059135e-01 4.64 -7.361531057e-01 -7.361531057e-01 4.66 -7.212746656e-01 -7.212746656e-01 4.68 -7.067512987e-01 -7.067512987e-01 4.70 -6.925659047e-01 -6.925659047e-01 4.72 -6.786554619e-01 -6.786554619e-01 4.74 -6.651102953e-01 -6.651102953e-01 4.76 -6.518602994e-01 -6.518602994e-01 4.78 -6.388946300e-01 -6.388946300e-01 4.80 -6.262033845e-01 -6.262033845e-01 4.82 -6.137774635e-01 -6.137774635e-01 4.84 -6.016084549e-01 -6.016084549e-01 4.86 -5.896885363e-01 -5.896885363e-01 4.88 -5.780103839e-01 -5.780103839e-01 4.90 -5.665670943e-01 -5.665670943e-01 4.92 -5.553521172e-01 -5.553521172e-01 4.94 -5.443591933e-01 -5.443591933e-01 4.96 -5.335822966e-01 -5.335822966e-01 4.98 -5.230155835e-01 -5.230155835e-01 5.00 -5.126533450e-01 -5.126533450e-01 5.02 -5.024899593e-01 -5.024899593e-01 5.04 -4.925198466e-01 -4.925198466e-01 5.06 -4.827374269e-01 -4.827374269e-01 5.08 -4.731370736e-01 -4.731370736e-01 5.10 -4.637130708e-01 -4.637130708e-01 5.12 -4.544595660e-01 -4.544595660e-01 5.14 -4.453705259e-01 -4.453705259e-01 5.16 -4.364396866e-01 -4.364396866e-01 5.18 -4.276605081e-01 -4.276605081e-01 5.20 -4.190261244e-01 -4.190261244e-01 5.22 -4.105293005e-01 -4.105293005e-01 5.24 -4.021623860e-01 -4.021623860e-01 5.26 -3.939172840e-01 -3.939172840e-01 5.28 -3.857854214e-01 -3.857854214e-01 5.30 -3.777577426e-01 -3.777577426e-01 5.32 -3.698247190e-01 -3.698247190e-01 5.34 -3.619763948e-01 -3.619763948e-01 5.36 -3.542024672e-01 -3.542024672e-01 5.38 -3.464924214e-01 -3.464924214e-01 5.40 -3.388357277e-01 -3.388357277e-01 5.42 -3.312221108e-01 -3.312221108e-01 5.44 -3.236419007e-01 -3.236419007e-01 5.46 -3.160864625e-01 -3.160864625e-01 5.48 -3.085487290e-01 -3.085487290e-01 5.50 -3.010237681e-01 -3.010237681e-01 5.52 -2.935094234e-01 -2.935094234e-01 5.54 -2.860068952e-01 -2.860068952e-01 5.56 -2.785212968e-01 -2.785212968e-01 5.58 -2.710619970e-01 -2.710619970e-01 5.60 -2.636427832e-01 -2.636427832e-01 5.62 -2.562816598e-01 -2.562816598e-01 5.64 -2.490003353e-01 -2.490003353e-01 5.66 -2.418229563e-01 -2.418229563e-01 5.68 -2.347738276e-01 -2.347738276e-01 5.70 -2.278797227e-01 -2.278797227e-01 5.72 -2.211664002e-01 -2.211664002e-01 5.74 -2.146567690e-01 -2.146567690e-01 5.76 -2.083696320e-01 -2.083696320e-01 5.78 -2.023188602e-01 -2.023188602e-01 5.80 -1.965129199e-01 -1.965129199e-01 5.82 -1.909548863e-01 -1.909548863e-01 5.84 -1.856427565e-01 -1.856427565e-01 5.86 -1.805700809e-01 -1.805700809e-01 5.88 -1.757267182e-01 -1.757267182e-01 5.90 -1.710996809e-01 -1.710996809e-01 5.92 -1.666739344e-01 -1.666739344e-01 5.94 -1.624331249e-01 -1.624331249e-01 5.96 -1.583601954e-01 -1.583601954e-01 5.98 -1.544378616e-01 -1.544378616e-01 6.00 -1.506489681e-01 -1.506489681e-01