# 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 = CuPtTi2 # 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 2.615287453e+02 2.615287453e+02 1.30 2.429061433e+02 2.429061433e+02 1.32 2.256076995e+02 2.256076995e+02 1.34 2.095410664e+02 2.095410664e+02 1.36 1.946188489e+02 1.946188489e+02 1.38 1.807541655e+02 1.807541655e+02 1.40 1.678607891e+02 1.678607891e+02 1.42 1.558563054e+02 1.558563054e+02 1.44 1.446653381e+02 1.446653381e+02 1.46 1.342214202e+02 1.342214202e+02 1.48 1.244673471e+02 1.244673471e+02 1.50 1.153539986e+02 1.153539986e+02 1.52 1.068379568e+02 1.068379568e+02 1.54 9.887895584e+01 9.887895584e+01 1.56 9.143817442e+01 9.143817442e+01 1.58 8.447761464e+01 8.447761464e+01 1.60 7.796036509e+01 7.796036509e+01 1.62 7.185147178e+01 7.185147178e+01 1.64 6.611907810e+01 6.611907810e+01 1.66 6.073549998e+01 6.073549998e+01 1.68 5.567799694e+01 5.567799694e+01 1.70 5.092892685e+01 5.092892685e+01 1.72 4.647482647e+01 4.647482647e+01 1.74 4.230425873e+01 4.230425873e+01 1.76 3.840522039e+01 3.840522039e+01 1.78 3.476371398e+01 3.476371398e+01 1.80 3.138109391e+01 3.138109391e+01 1.82 2.827832438e+01 2.827832438e+01 1.84 2.543107470e+01 2.543107470e+01 1.86 2.281559293e+01 2.281559293e+01 1.88 2.041077567e+01 2.041077567e+01 1.90 1.819790288e+01 1.819790288e+01 1.92 1.616037645e+01 1.616037645e+01 1.94 1.428350814e+01 1.428350814e+01 1.96 1.255431348e+01 1.255431348e+01 1.98 1.096128228e+01 1.096128228e+01 2.00 9.494141408e+00 9.494141408e+00 2.02 8.143630617e+00 8.143630617e+00 2.04 6.901307795e+00 6.901307795e+00 2.06 5.759402206e+00 5.759402206e+00 2.08 4.710725612e+00 4.710725612e+00 2.10 3.748625503e+00 3.748625503e+00 2.12 2.866946567e+00 2.866946567e+00 2.14 2.059981834e+00 2.059981834e+00 2.16 1.322419568e+00 1.322419568e+00 2.18 6.492996433e-01 6.492996433e-01 2.20 3.598154040e-02 3.598154040e-02 2.22 -5.218848954e-01 -5.218848954e-01 2.24 -1.028389713e+00 -1.028389713e+00 2.26 -1.487389492e+00 -1.487389492e+00 2.28 -1.902523653e+00 -1.902523653e+00 2.30 -2.277218187e+00 -2.277218187e+00 2.32 -2.614682192e+00 -2.614682192e+00 2.34 -2.917899538e+00 -2.917899538e+00 2.36 -3.189621356e+00 -3.189621356e+00 2.38 -3.432365623e+00 -3.432365623e+00 2.40 -3.648431028e+00 -3.648431028e+00 2.42 -3.839925406e+00 -3.839925406e+00 2.44 -4.008801172e+00 -4.008801172e+00 2.46 -4.156889400e+00 -4.156889400e+00 2.48 -4.285926772e+00 -4.285926772e+00 2.50 -4.397573187e+00 -4.397573187e+00 2.52 -4.493417717e+00 -4.493417717e+00 2.54 -4.574970315e+00 -4.574970315e+00 2.56 -4.643773218e+00 -4.643773218e+00 2.58 -4.702165698e+00 -4.702165698e+00 2.60 -4.751215343e+00 -4.751215343e+00 2.62 -4.791580201e+00 -4.791580201e+00 2.64 -4.823827251e+00 -4.823827251e+00 2.66 -4.848531144e+00 -4.848531144e+00 2.68 -4.866052062e+00 -4.866052062e+00 2.70 -4.876688872e+00 -4.876688872e+00 2.72 -4.880745486e+00 -4.880745486e+00 2.74 -4.878528496e+00 -4.878528496e+00 2.76 -4.870339414e+00 -4.870339414e+00 2.78 -4.856465797e+00 -4.856465797e+00 2.80 -4.837175804e+00 -4.837175804e+00 2.82 -4.812701440e+00 -4.812701440e+00 2.84 -4.783137821e+00 -4.783137821e+00 2.86 -4.748551671e+00 -4.748551671e+00 2.88 -4.709192312e+00 -4.709192312e+00 2.90 -4.665282517e+00 -4.665282517e+00 2.92 -4.616920213e+00 -4.616920213e+00 2.94 -4.564316171e+00 -4.564316171e+00 2.96 -4.507787178e+00 -4.507787178e+00 2.98 -4.447741112e+00 -4.447741112e+00 3.00 -4.384653849e+00 -4.384653849e+00 3.02 -4.319038878e+00 -4.319038878e+00 3.04 -4.251412195e+00 -4.251412195e+00 3.06 -4.182263167e+00 -4.182263167e+00 3.08 -4.112034059e+00 -4.112034059e+00 3.10 -4.041084713e+00 -4.041084713e+00 3.12 -3.969682318e+00 -3.969682318e+00 3.14 -3.898007906e+00 -3.898007906e+00 3.16 -3.826170541e+00 -3.826170541e+00 3.18 -3.754226334e+00 -3.754226334e+00 3.20 -3.682196710e+00 -3.682196710e+00 3.22 -3.610083871e+00 -3.610083871e+00 3.24 -3.537882355e+00 -3.537882355e+00 3.26 -3.465586874e+00 -3.465586874e+00 3.28 -3.393197196e+00 -3.393197196e+00 3.30 -3.320720934e+00 -3.320720934e+00 3.32 -3.248174977e+00 -3.248174977e+00 3.34 -3.175586063e+00 -3.175586063e+00 3.36 -3.102990840e+00 -3.102990840e+00 3.38 -3.030435791e+00 -3.030435791e+00 3.40 -2.957996601e+00 -2.957996601e+00 3.42 -2.885792457e+00 -2.885792457e+00 3.44 -2.813944788e+00 -2.813944788e+00 3.46 -2.742573839e+00 -2.742573839e+00 3.48 -2.671800098e+00 -2.671800098e+00 3.50 -2.601745093e+00 -2.601745093e+00 3.52 -2.532531104e+00 -2.532531104e+00 3.54 -2.464279397e+00 -2.464279397e+00 3.56 -2.397106845e+00 -2.397106845e+00 3.58 -2.331121229e+00 -2.331121229e+00 3.60 -2.266416005e+00 -2.266416005e+00 3.62 -2.203065632e+00 -2.203065632e+00 3.64 -2.141122540e+00 -2.141122540e+00 3.66 -2.080616369e+00 -2.080616369e+00 3.68 -2.021555578e+00 -2.021555578e+00 3.70 -1.963930926e+00 -1.963930926e+00 3.72 -1.907720024e+00 -1.907720024e+00 3.74 -1.852892097e+00 -1.852892097e+00 3.76 -1.799412248e+00 -1.799412248e+00 3.78 -1.747244771e+00 -1.747244771e+00 3.80 -1.696355286e+00 -1.696355286e+00 3.82 -1.646711698e+00 -1.646711698e+00 3.84 -1.598284147e+00 -1.598284147e+00 3.86 -1.551044205e+00 -1.551044205e+00 3.88 -1.504963661e+00 -1.504963661e+00 3.90 -1.460013235e+00 -1.460013235e+00 3.92 -1.416161474e+00 -1.416161474e+00 3.94 -1.373374330e+00 -1.373374330e+00 3.96 -1.331614801e+00 -1.331614801e+00 3.98 -1.290843647e+00 -1.290843647e+00 4.00 -1.251020321e+00 -1.251020321e+00 4.02 -1.212104311e+00 -1.212104311e+00 4.04 -1.174056691e+00 -1.174056691e+00 4.06 -1.136841735e+00 -1.136841735e+00 4.08 -1.100428436e+00 -1.100428436e+00 4.10 -1.064791708e+00 -1.064791708e+00 4.12 -1.029913717e+00 -1.029913717e+00 4.14 -9.957836762e-01 -9.957836762e-01 4.16 -9.623981333e-01 -9.623981333e-01 4.18 -9.297600615e-01 -9.297600615e-01 4.20 -8.978774647e-01 -8.978774647e-01 4.22 -8.667615181e-01 -8.667615181e-01 4.24 -8.364244600e-01 -8.364244600e-01 4.26 -8.068775099e-01 -8.068775099e-01 4.28 -7.781290898e-01 -7.781290898e-01 4.30 -7.501835686e-01 -7.501835686e-01 4.32 -7.230406441e-01 -7.230406441e-01 4.34 -6.966953468e-01 -6.966953468e-01 4.36 -6.711385317e-01 -6.711385317e-01 4.38 -6.463576446e-01 -6.463576446e-01 4.40 -6.223375216e-01 -6.223375216e-01 4.42 -5.990610168e-01 -5.990610168e-01 4.44 -5.765093231e-01 -5.765093231e-01 4.46 -5.546619536e-01 -5.546619536e-01 4.48 -5.334964391e-01 -5.334964391e-01 4.50 -5.129878756e-01 -5.129878756e-01 4.52 -4.931084835e-01 -4.931084835e-01 4.54 -4.738273432e-01 -4.738273432e-01 4.56 -4.551104307e-01 -4.551104307e-01 4.58 -4.369210257e-01 -4.369210257e-01 4.60 -4.192205034e-01 -4.192205034e-01 4.62 -4.019694685e-01 -4.019694685e-01 4.64 -3.851291541e-01 -3.851291541e-01 4.66 -3.686629818e-01 -3.686629818e-01 4.68 -3.525381744e-01 -3.525381744e-01 4.70 -3.367273047e-01 -3.367273047e-01 4.72 -3.212096741e-01 -3.212096741e-01 4.74 -3.059724124e-01 -3.059724124e-01 4.76 -2.910112068e-01 -2.910112068e-01 4.78 -2.763305792e-01 -2.763305792e-01 4.80 -2.619435745e-01 -2.619435745e-01 4.82 -2.478713488e-01 -2.478713488e-01 4.84 -2.341413842e-01 -2.341413842e-01 4.86 -2.207861936e-01 -2.207861936e-01 4.88 -2.078412588e-01 -2.078412588e-01 4.90 -1.953429320e-01 -1.953429320e-01 4.92 -1.833263727e-01 -1.833263727e-01 4.94 -1.718236761e-01 -1.718236761e-01 4.96 -1.608623184e-01 -1.608623184e-01 4.98 -1.504639894e-01 -1.504639894e-01 5.00 -1.406438357e-01 -1.406438357e-01 5.02 -1.314100898e-01 -1.314100898e-01 5.04 -1.227640365e-01 -1.227640365e-01 5.06 -1.147002517e-01 -1.147002517e-01 5.08 -1.072070584e-01 -1.072070584e-01 5.10 -1.002671469e-01 -1.002671469e-01 5.12 -9.385832192e-02 -9.385832192e-02 5.14 -8.795434066e-02 -8.795434066e-02 5.16 -8.252580438e-02 -8.252580438e-02 5.18 -7.754107221e-02 -7.754107221e-02 5.20 -7.296715561e-02 -7.296715561e-02 5.22 -6.877055065e-02 -6.877055065e-02 5.24 -6.491754058e-02 -6.491754058e-02 5.26 -6.137576278e-02 -6.137576278e-02 5.28 -5.811451357e-02 -5.811451357e-02 5.30 -5.510461395e-02 -5.510461395e-02 5.32 -5.231873168e-02 -5.231873168e-02 5.34 -4.973156503e-02 -4.973156503e-02 5.36 -4.731991628e-02 -4.731991628e-02 5.38 -4.506268193e-02 -4.506268193e-02 5.40 -4.294078433e-02 -4.294078433e-02 5.42 -4.093706593e-02 -4.093706593e-02 5.44 -3.903616384e-02 -3.903616384e-02 5.46 -3.722437858e-02 -3.722437858e-02 5.48 -3.548954755e-02 -3.548954755e-02 5.50 -3.382093085e-02 -3.382093085e-02 5.52 -3.220911461e-02 -3.220911461e-02 5.54 -3.064593424e-02 -3.064593424e-02 5.56 -2.912441872e-02 -2.912441872e-02 5.58 -2.763875436e-02 -2.763875436e-02 5.60 -2.618426521e-02 -2.618426521e-02 5.62 -2.475740508e-02 -2.475740508e-02 5.64 -2.335575466e-02 -2.335575466e-02 5.66 -2.197801564e-02 -2.197801564e-02 5.68 -2.062399286e-02 -2.062399286e-02 5.70 -1.929455489e-02 -1.929455489e-02 5.72 -1.799156486e-02 -1.799156486e-02 5.74 -1.671777447e-02 -1.671777447e-02 5.76 -1.547667812e-02 -1.547667812e-02 5.78 -1.427232600e-02 -1.427232600e-02 5.80 -1.310911053e-02 -1.310911053e-02 5.82 -1.199152533e-02 -1.199152533e-02 5.84 -1.092391606e-02 -1.092391606e-02 5.86 -9.910242832e-03 -9.910242832e-03 5.88 -8.953870044e-03 -8.953870044e-03 5.90 -8.057398413e-03 -8.057398413e-03 5.92 -7.222666740e-03 -7.222666740e-03 5.94 -6.450734756e-03 -6.450734756e-03 5.96 -5.741256478e-03 -5.741256478e-03 5.98 -5.093037555e-03 -5.093037555e-03 6.00 -4.504155731e-03 -4.504155731e-03