# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = TaTiZr2 # 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 2025-12-17 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 3.436454122e+02 3.436454122e+02 1.08 3.134336947e+02 3.134336947e+02 1.10 2.868747068e+02 2.868747068e+02 1.12 2.633002224e+02 2.633002224e+02 1.14 2.414103702e+02 2.414103702e+02 1.16 2.215581988e+02 2.215581988e+02 1.18 2.037964826e+02 2.037964826e+02 1.20 1.877446360e+02 1.877446360e+02 1.22 1.728069501e+02 1.728069501e+02 1.24 1.587416679e+02 1.587416679e+02 1.26 1.456876267e+02 1.456876267e+02 1.28 1.336060352e+02 1.336060352e+02 1.30 1.227748518e+02 1.227748518e+02 1.32 1.129206695e+02 1.129206695e+02 1.34 1.039329634e+02 1.039329634e+02 1.36 9.561978065e+01 9.561978065e+01 1.38 8.806303065e+01 8.806303065e+01 1.40 8.106081303e+01 8.106081303e+01 1.42 7.436689374e+01 7.436689374e+01 1.44 6.812338587e+01 6.812338587e+01 1.46 6.240021485e+01 6.240021485e+01 1.48 5.729491478e+01 5.729491478e+01 1.50 5.266713014e+01 5.266713014e+01 1.52 4.824729929e+01 4.824729929e+01 1.54 4.412500802e+01 4.412500802e+01 1.56 4.044146680e+01 4.044146680e+01 1.58 3.723169510e+01 3.723169510e+01 1.60 3.438992441e+01 3.438992441e+01 1.62 3.181721827e+01 3.181721827e+01 1.64 2.938656304e+01 2.938656304e+01 1.66 2.708249196e+01 2.708249196e+01 1.68 2.492639838e+01 2.492639838e+01 1.70 2.293323780e+01 2.293323780e+01 1.72 2.114270403e+01 2.114270403e+01 1.74 1.955315388e+01 1.955315388e+01 1.76 1.812183021e+01 1.812183021e+01 1.78 1.685730675e+01 1.685730675e+01 1.80 1.572867249e+01 1.572867249e+01 1.82 1.459217673e+01 1.459217673e+01 1.84 1.349202046e+01 1.349202046e+01 1.86 1.241165499e+01 1.241165499e+01 1.88 1.142577662e+01 1.142577662e+01 1.90 1.055509418e+01 1.055509418e+01 1.92 9.799242623e+00 9.799242623e+00 1.94 9.127872549e+00 9.127872549e+00 1.96 8.493114974e+00 8.493114974e+00 1.98 7.843436309e+00 7.843436309e+00 2.00 7.147484038e+00 7.147484038e+00 2.02 6.494775286e+00 6.494775286e+00 2.04 5.939638384e+00 5.939638384e+00 2.06 5.466431190e+00 5.466431190e+00 2.08 5.017508343e+00 5.017508343e+00 2.10 4.589185511e+00 4.589185511e+00 2.12 4.152581924e+00 4.152581924e+00 2.14 3.680648914e+00 3.680648914e+00 2.16 3.205038840e+00 3.205038840e+00 2.18 2.733570831e+00 2.733570831e+00 2.20 2.225936145e+00 2.225936145e+00 2.22 1.691544639e+00 1.691544639e+00 2.24 1.121215826e+00 1.121215826e+00 2.26 5.140513177e-01 5.140513177e-01 2.28 3.882024100e-03 3.882024100e-03 2.30 -4.270249062e-01 -4.270249062e-01 2.32 -8.093933186e-01 -8.093933186e-01 2.34 -1.173108152e+00 -1.173108152e+00 2.36 -1.541895438e+00 -1.541895438e+00 2.38 -1.917421672e+00 -1.917421672e+00 2.40 -2.280764611e+00 -2.280764611e+00 2.42 -2.604507791e+00 -2.604507791e+00 2.44 -2.926102003e+00 -2.926102003e+00 2.46 -3.225891057e+00 -3.225891057e+00 2.48 -3.506111656e+00 -3.506111656e+00 2.50 -3.756868849e+00 -3.756868849e+00 2.52 -3.984094146e+00 -3.984094146e+00 2.54 -4.193996590e+00 -4.193996590e+00 2.56 -4.391868201e+00 -4.391868201e+00 2.58 -4.581058579e+00 -4.581058579e+00 2.60 -4.760101390e+00 -4.760101390e+00 2.62 -4.930746347e+00 -4.930746347e+00 2.64 -5.094037017e+00 -5.094037017e+00 2.66 -5.249512809e+00 -5.249512809e+00 2.68 -5.395310192e+00 -5.395310192e+00 2.70 -5.532688075e+00 -5.532688075e+00 2.72 -5.661464927e+00 -5.661464927e+00 2.74 -5.779459117e+00 -5.779459117e+00 2.76 -5.881112938e+00 -5.881112938e+00 2.78 -5.961769530e+00 -5.961769530e+00 2.80 -6.030086215e+00 -6.030086215e+00 2.82 -6.090793719e+00 -6.090793719e+00 2.84 -6.145419793e+00 -6.145419793e+00 2.86 -6.196687778e+00 -6.196687778e+00 2.88 -6.242883265e+00 -6.242883265e+00 2.90 -6.280745538e+00 -6.280745538e+00 2.92 -6.310459915e+00 -6.310459915e+00 2.94 -6.331876717e+00 -6.331876717e+00 2.96 -6.345094744e+00 -6.345094744e+00 2.98 -6.349634158e+00 -6.349634158e+00 3.00 -6.344686499e+00 -6.344686499e+00 3.02 -6.328943979e+00 -6.328943979e+00 3.04 -6.302115663e+00 -6.302115663e+00 3.06 -6.265687398e+00 -6.265687398e+00 3.08 -6.225431224e+00 -6.225431224e+00 3.10 -6.188610405e+00 -6.188610405e+00 3.12 -6.157625473e+00 -6.157625473e+00 3.14 -6.128133321e+00 -6.128133321e+00 3.16 -6.093471798e+00 -6.093471798e+00 3.18 -6.043260585e+00 -6.043260585e+00 3.20 -5.976557691e+00 -5.976557691e+00 3.22 -5.910577464e+00 -5.910577464e+00 3.24 -5.864633788e+00 -5.864633788e+00 3.26 -5.828661924e+00 -5.828661924e+00 3.28 -5.788426462e+00 -5.788426462e+00 3.30 -5.744191847e+00 -5.744191847e+00 3.32 -5.697656204e+00 -5.697656204e+00 3.34 -5.650226806e+00 -5.650226806e+00 3.36 -5.601977984e+00 -5.601977984e+00 3.38 -5.550186249e+00 -5.550186249e+00 3.40 -5.489952035e+00 -5.489952035e+00 3.42 -5.414642594e+00 -5.414642594e+00 3.44 -5.326224156e+00 -5.326224156e+00 3.46 -5.234911084e+00 -5.234911084e+00 3.48 -5.151316809e+00 -5.151316809e+00 3.50 -5.075298960e+00 -5.075298960e+00 3.52 -4.999232936e+00 -4.999232936e+00 3.54 -4.917864693e+00 -4.917864693e+00 3.56 -4.830231667e+00 -4.830231667e+00 3.58 -4.737244908e+00 -4.737244908e+00 3.60 -4.639234637e+00 -4.639234637e+00 3.62 -4.537016835e+00 -4.537016835e+00 3.64 -4.434625541e+00 -4.434625541e+00 3.66 -4.334983183e+00 -4.334983183e+00 3.68 -4.237938541e+00 -4.237938541e+00 3.70 -4.142646497e+00 -4.142646497e+00 3.72 -4.047801542e+00 -4.047801542e+00 3.74 -3.955587511e+00 -3.955587511e+00 3.76 -3.873194272e+00 -3.873194272e+00 3.78 -3.808526871e+00 -3.808526871e+00 3.80 -3.768174616e+00 -3.768174616e+00 3.82 -3.739762798e+00 -3.739762798e+00 3.84 -3.713140065e+00 -3.713140065e+00 3.86 -3.683346642e+00 -3.683346642e+00 3.88 -3.645005848e+00 -3.645005848e+00 3.90 -3.591882756e+00 -3.591882756e+00 3.92 -3.517419112e+00 -3.517419112e+00 3.94 -3.416862820e+00 -3.416862820e+00 3.96 -3.291482753e+00 -3.291482753e+00 3.98 -3.144523123e+00 -3.144523123e+00 4.00 -2.982804366e+00 -2.982804366e+00 4.02 -2.817549211e+00 -2.817549211e+00 4.04 -2.661525404e+00 -2.661525404e+00 4.06 -2.527058437e+00 -2.527058437e+00 4.08 -2.419146347e+00 -2.419146347e+00 4.10 -2.331613484e+00 -2.331613484e+00 4.12 -2.257321282e+00 -2.257321282e+00 4.14 -2.190234235e+00 -2.190234235e+00 4.16 -2.125928512e+00 -2.125928512e+00 4.18 -2.062982677e+00 -2.062982677e+00 4.20 -2.001512149e+00 -2.001512149e+00 4.22 -1.941445330e+00 -1.941445330e+00 4.24 -1.882866723e+00 -1.882866723e+00 4.26 -1.825993472e+00 -1.825993472e+00 4.28 -1.770928731e+00 -1.770928731e+00 4.30 -1.717633218e+00 -1.717633218e+00 4.32 -1.665875245e+00 -1.665875245e+00 4.34 -1.615418686e+00 -1.615418686e+00 4.36 -1.566489515e+00 -1.566489515e+00 4.38 -1.519642943e+00 -1.519642943e+00 4.40 -1.475453717e+00 -1.475453717e+00 4.42 -1.434332038e+00 -1.434332038e+00 4.44 -1.396724774e+00 -1.396724774e+00 4.46 -1.362963440e+00 -1.362963440e+00 4.48 -1.332750876e+00 -1.332750876e+00 4.50 -1.305354537e+00 -1.305354537e+00 4.52 -1.279979708e+00 -1.279979708e+00 4.54 -1.255799095e+00 -1.255799095e+00 4.56 -1.231973670e+00 -1.231973670e+00 4.58 -1.207685455e+00 -1.207685455e+00 4.60 -1.182242593e+00 -1.182242593e+00 4.62 -1.155406168e+00 -1.155406168e+00 4.64 -1.127346989e+00 -1.127346989e+00 4.66 -1.098345371e+00 -1.098345371e+00 4.68 -1.068779012e+00 -1.068779012e+00 4.70 -1.039112894e+00 -1.039112894e+00 4.72 -1.009886729e+00 -1.009886729e+00 4.74 -9.816469568e-01 -9.816469568e-01 4.76 -9.545322742e-01 -9.545322742e-01 4.78 -9.285498098e-01 -9.285498098e-01 4.80 -9.036679405e-01 -9.036679405e-01 4.82 -8.796895764e-01 -8.796895764e-01 4.84 -8.562876723e-01 -8.562876723e-01 4.86 -8.330841187e-01 -8.330841187e-01 4.88 -8.097213285e-01 -8.097213285e-01 4.90 -7.858829626e-01 -7.858829626e-01 4.92 -7.613048486e-01 -7.613048486e-01 4.94 -7.361541590e-01 -7.361541590e-01 4.96 -7.107648616e-01 -7.107648616e-01 4.98 -6.854787717e-01 -6.854787717e-01 5.00 -6.606531934e-01 -6.606531934e-01 5.02 -6.368287728e-01 -6.368287728e-01 5.04 -6.145657655e-01 -6.145657655e-01 5.06 -5.938682630e-01 -5.938682630e-01 5.08 -5.745947885e-01 -5.745947885e-01 5.10 -5.565643953e-01 -5.565643953e-01 5.12 -5.395371429e-01 -5.395371429e-01 5.14 -5.232238622e-01 -5.232238622e-01 5.16 -5.071682706e-01 -5.071682706e-01 5.18 -4.909377031e-01 -4.909377031e-01 5.20 -4.741434018e-01 -4.741434018e-01 5.22 -4.564224248e-01 -4.564224248e-01 5.24 -4.374377381e-01 -4.374377381e-01 5.26 -4.168992463e-01 -4.168992463e-01 5.28 -3.952447999e-01 -3.952447999e-01 5.30 -3.737530701e-01 -3.737530701e-01 5.32 -3.537858306e-01 -3.537858306e-01 5.34 -3.367181084e-01 -3.367181084e-01 5.36 -3.239266111e-01 -3.239266111e-01 5.38 -3.155751072e-01 -3.155751072e-01 5.40 -3.080670221e-01 -3.080670221e-01 5.42 -3.010203460e-01 -3.010203460e-01 5.44 -2.943567628e-01 -2.943567628e-01 5.46 -2.879794189e-01 -2.879794189e-01 5.48 -2.817936995e-01 -2.817936995e-01 5.50 -2.757041030e-01 -2.757041030e-01 5.52 -2.696267358e-01 -2.696267358e-01 5.54 -2.634628730e-01 -2.634628730e-01 5.56 -2.571009059e-01 -2.571009059e-01 5.58 -2.504914824e-01 -2.504914824e-01 5.60 -2.435917214e-01 -2.435917214e-01 5.62 -2.363587187e-01 -2.363587187e-01 5.64 -2.287492409e-01 -2.287492409e-01 5.66 -2.207201917e-01 -2.207201917e-01 5.68 -2.122586588e-01 -2.122586588e-01 5.70 -2.034534018e-01 -2.034534018e-01 5.72 -1.944041640e-01 -1.944041640e-01 5.74 -1.852104535e-01 -1.852104535e-01 5.76 -1.759723829e-01 -1.759723829e-01 5.78 -1.667904993e-01 -1.667904993e-01 5.80 -1.577650011e-01 -1.577650011e-01 5.82 -1.489929039e-01 -1.489929039e-01 5.84 -1.406174907e-01 -1.406174907e-01 5.86 -1.328014898e-01 -1.328014898e-01 5.88 -1.257081748e-01 -1.257081748e-01 5.90 -1.194984830e-01 -1.194984830e-01 5.92 -1.143319101e-01 -1.143319101e-01 5.94 -1.103581564e-01 -1.103581564e-01 5.96 -1.073524268e-01 -1.073524268e-01 5.98 -1.046137033e-01 -1.046137033e-01 6.00 -1.014053925e-01 -1.014053925e-01