# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = FeNi2Ti # 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 2024-04-11 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 nan nan 1.28 1.541558448e+02 1.541558448e+02 1.30 1.411084173e+02 1.411084173e+02 1.32 1.291259205e+02 1.291259205e+02 1.34 1.181109651e+02 1.181109651e+02 1.36 1.079781722e+02 1.079781722e+02 1.38 9.865422882e+01 9.865422882e+01 1.40 9.007527496e+01 9.007527496e+01 1.42 8.218404300e+01 8.218404300e+01 1.44 7.492812452e+01 7.492812452e+01 1.46 6.825904018e+01 6.825904018e+01 1.48 6.213147131e+01 6.213147131e+01 1.50 5.650266668e+01 5.650266668e+01 1.52 5.133234786e+01 5.133234786e+01 1.54 4.658303428e+01 4.658303428e+01 1.56 4.222029035e+01 4.222029035e+01 1.58 3.821258471e+01 3.821258471e+01 1.60 3.453097444e+01 3.453097444e+01 1.62 3.114894815e+01 3.114894815e+01 1.64 2.804238241e+01 2.804238241e+01 1.66 2.518938088e+01 2.518938088e+01 1.68 2.256988704e+01 2.256988704e+01 1.70 2.016486040e+01 2.016486040e+01 1.72 1.795643139e+01 1.795643139e+01 1.74 1.592788762e+01 1.592788762e+01 1.76 1.406383115e+01 1.406383115e+01 1.78 1.235034822e+01 1.235034822e+01 1.80 1.077510242e+01 1.077510242e+01 1.82 9.327318657e+00 9.327318657e+00 1.84 7.997625330e+00 7.997625330e+00 1.86 6.777757719e+00 6.777757719e+00 1.88 5.660191293e+00 5.660191293e+00 1.90 4.637813069e+00 4.637813069e+00 1.92 3.703711774e+00 3.703711774e+00 1.94 2.851113174e+00 2.851113174e+00 1.96 2.073438030e+00 2.073438030e+00 1.98 1.364424213e+00 1.364424213e+00 2.00 7.182392280e-01 7.182392280e-01 2.02 1.295364052e-01 1.295364052e-01 2.04 -4.065415899e-01 -4.065415899e-01 2.06 -8.943795909e-01 -8.943795909e-01 2.08 -1.337904129e+00 -1.337904129e+00 2.10 -1.740597333e+00 -1.740597333e+00 2.12 -2.105527264e+00 -2.105527264e+00 2.14 -2.435404826e+00 -2.435404826e+00 2.16 -2.732661619e+00 -2.732661619e+00 2.18 -2.999534395e+00 -2.999534395e+00 2.20 -3.238141810e+00 -3.238141810e+00 2.22 -3.450543654e+00 -3.450543654e+00 2.24 -3.638775361e+00 -3.638775361e+00 2.26 -3.804855574e+00 -3.804855574e+00 2.28 -3.950771821e+00 -3.950771821e+00 2.30 -4.078454141e+00 -4.078454141e+00 2.32 -4.189745747e+00 -4.189745747e+00 2.34 -4.286369466e+00 -4.286369466e+00 2.36 -4.369888464e+00 -4.369888464e+00 2.38 -4.441665348e+00 -4.441665348e+00 2.40 -4.502834629e+00 -4.502834629e+00 2.42 -4.554314887e+00 -4.554314887e+00 2.44 -4.596875207e+00 -4.596875207e+00 2.46 -4.631011735e+00 -4.631011735e+00 2.48 -4.657132404e+00 -4.657132404e+00 2.50 -4.675626065e+00 -4.675626065e+00 2.52 -4.686884196e+00 -4.686884196e+00 2.54 -4.691313736e+00 -4.691313736e+00 2.56 -4.689335953e+00 -4.689335953e+00 2.58 -4.681287912e+00 -4.681287912e+00 2.60 -4.667441136e+00 -4.667441136e+00 2.62 -4.648100607e+00 -4.648100607e+00 2.64 -4.623600678e+00 -4.623600678e+00 2.66 -4.594182547e+00 -4.594182547e+00 2.68 -4.559891267e+00 -4.559891267e+00 2.70 -4.520826914e+00 -4.520826914e+00 2.72 -4.477174149e+00 -4.477174149e+00 2.74 -4.429190983e+00 -4.429190983e+00 2.76 -4.377194051e+00 -4.377194051e+00 2.78 -4.321539930e+00 -4.321539930e+00 2.80 -4.262561846e+00 -4.262561846e+00 2.82 -4.200509500e+00 -4.200509500e+00 2.84 -4.135635065e+00 -4.135635065e+00 2.86 -4.068196531e+00 -4.068196531e+00 2.88 -3.998451076e+00 -3.998451076e+00 2.90 -3.926651597e+00 -3.926651597e+00 2.92 -3.853044494e+00 -3.853044494e+00 2.94 -3.777867850e+00 -3.777867850e+00 2.96 -3.701350182e+00 -3.701350182e+00 2.98 -3.623710166e+00 -3.623710166e+00 3.00 -3.545157233e+00 -3.545157233e+00 3.02 -3.465892191e+00 -3.465892191e+00 3.04 -3.386106692e+00 -3.386106692e+00 3.06 -3.305981251e+00 -3.305981251e+00 3.08 -3.225681889e+00 -3.225681889e+00 3.10 -3.145357857e+00 -3.145357857e+00 3.12 -3.065141474e+00 -3.065141474e+00 3.14 -2.985151396e+00 -2.985151396e+00 3.16 -2.905498038e+00 -2.905498038e+00 3.18 -2.826290621e+00 -2.826290621e+00 3.20 -2.747643338e+00 -2.747643338e+00 3.22 -2.669679603e+00 -2.669679603e+00 3.24 -2.592533546e+00 -2.592533546e+00 3.26 -2.516348641e+00 -2.516348641e+00 3.28 -2.441273798e+00 -2.441273798e+00 3.30 -2.367457582e+00 -2.367457582e+00 3.32 -2.295041446e+00 -2.295041446e+00 3.34 -2.224152912e+00 -2.224152912e+00 3.36 -2.154899624e+00 -2.154899624e+00 3.38 -2.087365030e+00 -2.087365030e+00 3.40 -2.021606147e+00 -2.021606147e+00 3.42 -1.957653701e+00 -1.957653701e+00 3.44 -1.895514217e+00 -1.895514217e+00 3.46 -1.835173949e+00 -1.835173949e+00 3.48 -1.776603726e+00 -1.776603726e+00 3.50 -1.719764017e+00 -1.719764017e+00 3.52 -1.664609412e+00 -1.664609412e+00 3.54 -1.611091886e+00 -1.611091886e+00 3.56 -1.559162499e+00 -1.559162499e+00 3.58 -1.508771609e+00 -1.508771609e+00 3.60 -1.459868060e+00 -1.459868060e+00 3.62 -1.412398058e+00 -1.412398058e+00 3.64 -1.366304460e+00 -1.366304460e+00 3.66 -1.321526987e+00 -1.321526987e+00 3.68 -1.278003503e+00 -1.278003503e+00 3.70 -1.235672212e+00 -1.235672212e+00 3.72 -1.194474401e+00 -1.194474401e+00 3.74 -1.154357325e+00 -1.154357325e+00 3.76 -1.115276854e+00 -1.115276854e+00 3.78 -1.077199596e+00 -1.077199596e+00 3.80 -1.040104226e+00 -1.040104226e+00 3.82 -1.003981837e+00 -1.003981837e+00 3.84 -9.688351522e-01 -9.688351522e-01 3.86 -9.346765427e-01 -9.346765427e-01 3.88 -9.015249377e-01 -9.015249377e-01 3.90 -8.694019113e-01 -8.694019113e-01 3.92 -8.383273692e-01 -8.383273692e-01 3.94 -8.083155575e-01 -8.083155575e-01 3.96 -7.793715295e-01 -7.793715295e-01 3.98 -7.514890488e-01 -7.514890488e-01 4.00 -7.246496695e-01 -7.246496695e-01 4.02 -6.988231177e-01 -6.988231177e-01 4.04 -6.739686822e-01 -6.739686822e-01 4.06 -6.500372502e-01 -6.500372502e-01 4.08 -6.269736138e-01 -6.269736138e-01 4.10 -6.047186707e-01 -6.047186707e-01 4.12 -5.832117180e-01 -5.832117180e-01 4.14 -5.623916957e-01 -5.623916957e-01 4.16 -5.421988113e-01 -5.421988113e-01 4.18 -5.225754782e-01 -5.225754782e-01 4.20 -5.034671206e-01 -5.034671206e-01 4.22 -4.848228618e-01 -4.848228618e-01 4.24 -4.665961867e-01 -4.665961867e-01 4.26 -4.487456503e-01 -4.487456503e-01 4.28 -4.312356752e-01 -4.312356752e-01 4.30 -4.140374486e-01 -4.140374486e-01 4.32 -3.971298866e-01 -3.971298866e-01 4.34 -3.805005927e-01 -3.805005927e-01 4.36 -3.641466940e-01 -3.641466940e-01 4.38 -3.480754061e-01 -3.480754061e-01 4.40 -3.323041589e-01 -3.323041589e-01 4.42 -3.168601237e-01 -3.168601237e-01 4.44 -3.017790280e-01 -3.017790280e-01 4.46 -2.871032189e-01 -2.871032189e-01 4.48 -2.728790450e-01 -2.728790450e-01 4.50 -2.591537416e-01 -2.591537416e-01 4.52 -2.459721052e-01 -2.459721052e-01 4.54 -2.333733006e-01 -2.333733006e-01 4.56 -2.213881430e-01 -2.213881430e-01 4.58 -2.100371327e-01 -2.100371327e-01 4.60 -1.993294049e-01 -1.993294049e-01 4.62 -1.892626248e-01 -1.892626248e-01 4.64 -1.798237298e-01 -1.798237298e-01 4.66 -1.709903274e-01 -1.709903274e-01 4.68 -1.627325143e-01 -1.627325143e-01 4.70 -1.550148803e-01 -1.550148803e-01 4.72 -1.477984827e-01 -1.477984827e-01 4.74 -1.410424006e-01 -1.410424006e-01 4.76 -1.347059520e-01 -1.347059520e-01 4.78 -1.287496400e-01 -1.287496400e-01 4.80 -1.231358771e-01 -1.231358771e-01 4.82 -1.178299048e-01 -1.178299048e-01 4.84 -1.128000168e-01 -1.128000168e-01 4.86 -1.080180519e-01 -1.080180519e-01 4.88 -1.034594888e-01 -1.034594888e-01 4.90 -9.910347010e-02 -9.910347010e-02 4.92 -9.493272351e-02 -9.493272351e-02 4.94 -9.093339225e-02 -9.093339225e-02 4.96 -8.709477794e-02 -8.709477794e-02 4.98 -8.340899565e-02 -8.340899565e-02 5.00 -7.987054904e-02 -7.987054904e-02 5.02 -7.647583615e-02 -7.647583615e-02 5.04 -7.322260725e-02 -7.322260725e-02 5.06 -7.010940720e-02 -7.010940720e-02 5.08 -6.713503184e-02 -6.713503184e-02 5.10 -6.429780833e-02 -6.429780833e-02 5.12 -6.159578320e-02 -6.159578320e-02 5.14 -5.902628397e-02 -5.902628397e-02 5.16 -5.658559782e-02 -5.658559782e-02 5.18 -5.426896883e-02 -5.426896883e-02 5.20 -5.207069248e-02 -5.207069248e-02 5.22 -4.998427875e-02 -4.998427875e-02 5.24 -4.800265332e-02 -4.800265332e-02 5.26 -4.611836930e-02 -4.611836930e-02 5.28 -4.432380800e-02 -4.432380800e-02 5.30 -4.261135405e-02 -4.261135405e-02 5.32 -4.097353749e-02 -4.097353749e-02 5.34 -3.940314094e-02 -3.940314094e-02 5.36 -3.789327416e-02 -3.789327416e-02 5.38 -3.643742093e-02 -3.643742093e-02 5.40 -3.502946466e-02 -3.502946466e-02 5.42 -3.366369917e-02 -3.366369917e-02 5.44 -3.233483089e-02 -3.233483089e-02 5.46 -3.103797813e-02 -3.103797813e-02 5.48 -2.976867188e-02 -2.976867188e-02 5.50 -2.852286191e-02 -2.852286191e-02 5.52 -2.729693063e-02 -2.729693063e-02 5.54 -2.608771656e-02 -2.608771656e-02 5.56 -2.489254704e-02 -2.489254704e-02 5.58 -2.370928028e-02 -2.370928028e-02 5.60 -2.253635402e-02 -2.253635402e-02 5.62 -2.137283731e-02 -2.137283731e-02 5.64 -2.021848018e-02 -2.021848018e-02 5.66 -1.907375493e-02 -1.907375493e-02 5.68 -1.793988150e-02 -1.793988150e-02 5.70 -1.681882945e-02 -1.681882945e-02 5.72 -1.571328894e-02 -1.571328894e-02 5.74 -1.462660533e-02 -1.462660533e-02 5.76 -1.356267193e-02 -1.356267193e-02 5.78 -1.252565427e-02 -1.252565427e-02 5.80 -1.152005891e-02 -1.152005891e-02 5.82 -1.055051627e-02 -1.055051627e-02 5.84 -9.621469010e-03 -9.621469010e-03 5.86 -8.736966150e-03 -8.736966150e-03 5.88 -7.900479367e-03 -7.900479367e-03 5.90 -7.114755452e-03 -7.114755452e-03 5.92 -6.381715231e-03 -6.381715231e-03 5.94 -5.702404113e-03 -5.702404113e-03 5.96 -5.076994011e-03 -5.076994011e-03 5.98 -4.504831453e-03 -4.504831453e-03 6.00 -3.984523035e-03 -3.984523035e-03