# 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 = CuFeW2 # 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 2.840273251e+02 2.840273251e+02 1.30 2.605391938e+02 2.605391938e+02 1.32 2.389769178e+02 2.389769178e+02 1.34 2.191643669e+02 2.191643669e+02 1.36 2.009380588e+02 2.009380588e+02 1.38 1.841487374e+02 1.841487374e+02 1.40 1.686638632e+02 1.686638632e+02 1.42 1.543692604e+02 1.543692604e+02 1.44 1.411683569e+02 1.411683569e+02 1.46 1.289790524e+02 1.289790524e+02 1.48 1.177296409e+02 1.177296409e+02 1.50 1.073553516e+02 1.073553516e+02 1.52 9.779621351e+01 9.779621351e+01 1.54 8.899600726e+01 8.899600726e+01 1.56 8.090174548e+01 8.090174548e+01 1.58 7.346338317e+01 7.346338317e+01 1.60 6.663369827e+01 6.663369827e+01 1.62 6.036824692e+01 6.036824692e+01 1.64 5.462522613e+01 5.462522613e+01 1.66 4.936517197e+01 4.936517197e+01 1.68 4.455056715e+01 4.455056715e+01 1.70 4.014547595e+01 4.014547595e+01 1.72 3.611529751e+01 3.611529751e+01 1.74 3.242670434e+01 3.242670434e+01 1.76 2.904780348e+01 2.904780348e+01 1.78 2.594874805e+01 2.594874805e+01 1.80 2.310309125e+01 2.310309125e+01 1.82 2.048602430e+01 2.048602430e+01 1.84 1.807581133e+01 1.807581133e+01 1.86 1.585414574e+01 1.585414574e+01 1.88 1.380590247e+01 1.380590247e+01 1.90 1.191886305e+01 1.191886305e+01 1.92 1.018287706e+01 1.018287706e+01 1.94 8.589066088e+00 8.589066088e+00 1.96 7.129206469e+00 7.129206469e+00 1.98 5.795314063e+00 5.795314063e+00 2.00 4.579419937e+00 4.579419937e+00 2.02 3.473485803e+00 3.473485803e+00 2.04 2.469405137e+00 2.469405137e+00 2.06 1.559052386e+00 1.559052386e+00 2.08 7.343630090e-01 7.343630090e-01 2.10 -1.255841158e-02 -1.255841158e-02 2.12 -6.893018287e-01 -6.893018287e-01 2.14 -1.302996248e+00 -1.302996248e+00 2.16 -1.860158667e+00 -1.860158667e+00 2.18 -2.366579603e+00 -2.366579603e+00 2.20 -2.827272287e+00 -2.827272287e+00 2.22 -3.246495378e+00 -3.246495378e+00 2.24 -3.627838856e+00 -3.627838856e+00 2.26 -3.974348940e+00 -3.974348940e+00 2.28 -4.288663574e+00 -4.288663574e+00 2.30 -4.573132895e+00 -4.573132895e+00 2.32 -4.829906488e+00 -4.829906488e+00 2.34 -5.060975227e+00 -5.060975227e+00 2.36 -5.268003811e+00 -5.268003811e+00 2.38 -5.452807875e+00 -5.452807875e+00 2.40 -5.617170529e+00 -5.617170529e+00 2.42 -5.762672195e+00 -5.762672195e+00 2.44 -5.890717880e+00 -5.890717880e+00 2.46 -6.002566207e+00 -6.002566207e+00 2.48 -6.099354257e+00 -6.099354257e+00 2.50 -6.181966490e+00 -6.181966490e+00 2.52 -6.250670606e+00 -6.250670606e+00 2.54 -6.305676969e+00 -6.305676969e+00 2.56 -6.347269047e+00 -6.347269047e+00 2.58 -6.375772754e+00 -6.375772754e+00 2.60 -6.391535894e+00 -6.391535894e+00 2.62 -6.394916223e+00 -6.394916223e+00 2.64 -6.386276468e+00 -6.386276468e+00 2.66 -6.365984116e+00 -6.365984116e+00 2.68 -6.334413406e+00 -6.334413406e+00 2.70 -6.291947017e+00 -6.291947017e+00 2.72 -6.238975752e+00 -6.238975752e+00 2.74 -6.175895992e+00 -6.175895992e+00 2.76 -6.103106441e+00 -6.103106441e+00 2.78 -6.021006851e+00 -6.021006851e+00 2.80 -5.930001464e+00 -5.930001464e+00 2.82 -5.830508763e+00 -5.830508763e+00 2.84 -5.722977355e+00 -5.722977355e+00 2.86 -5.607975541e+00 -5.607975541e+00 2.88 -5.486263163e+00 -5.486263163e+00 2.90 -5.358254456e+00 -5.358254456e+00 2.92 -5.224483129e+00 -5.224483129e+00 2.94 -5.085651319e+00 -5.085651319e+00 2.96 -4.942602242e+00 -4.942602242e+00 2.98 -4.796296214e+00 -4.796296214e+00 3.00 -4.647768271e+00 -4.647768271e+00 3.02 -4.498087383e+00 -4.498087383e+00 3.04 -4.348313601e+00 -4.348313601e+00 3.06 -4.199416237e+00 -4.199416237e+00 3.08 -4.052221221e+00 -4.052221221e+00 3.10 -3.907290317e+00 -3.907290317e+00 3.12 -3.764921869e+00 -3.764921869e+00 3.14 -3.625250279e+00 -3.625250279e+00 3.16 -3.488264254e+00 -3.488264254e+00 3.18 -3.353831890e+00 -3.353831890e+00 3.20 -3.221732404e+00 -3.221732404e+00 3.22 -3.091690179e+00 -3.091690179e+00 3.24 -2.963407696e+00 -2.963407696e+00 3.26 -2.836595131e+00 -2.836595131e+00 3.28 -2.710995558e+00 -2.710995558e+00 3.30 -2.586405639e+00 -2.586405639e+00 3.32 -2.462692230e+00 -2.462692230e+00 3.34 -2.339805419e+00 -2.339805419e+00 3.36 -2.217788253e+00 -2.217788253e+00 3.38 -2.096782904e+00 -2.096782904e+00 3.40 -1.977032504e+00 -1.977032504e+00 3.42 -1.858877535e+00 -1.858877535e+00 3.44 -1.742745699e+00 -1.742745699e+00 3.46 -1.629134716e+00 -1.629134716e+00 3.48 -1.518588360e+00 -1.518588360e+00 3.50 -1.411667197e+00 -1.411667197e+00 3.52 -1.308916459e+00 -1.308916459e+00 3.54 -1.210834225e+00 -1.210834225e+00 3.56 -1.117843148e+00 -1.117843148e+00 3.58 -1.030268557e+00 -1.030268557e+00 3.60 -9.483247866e-01 -9.483247866e-01 3.62 -8.721104395e-01 -8.721104395e-01 3.64 -8.016121113e-01 -8.016121113e-01 3.66 -7.367151715e-01 -7.367151715e-01 3.68 -6.772196362e-01 -6.772196362e-01 3.70 -6.228589700e-01 -6.228589700e-01 3.72 -5.733197704e-01 -5.733197704e-01 3.74 -5.282606263e-01 -5.282606263e-01 3.76 -4.873288640e-01 -4.873288640e-01 3.78 -4.501743482e-01 -4.501743482e-01 3.80 -4.164599169e-01 -4.164599169e-01 3.82 -3.858683923e-01 -3.858683923e-01 3.84 -3.581064139e-01 -3.581064139e-01 3.86 -3.329055842e-01 -3.329055842e-01 3.88 -3.100215831e-01 -3.100215831e-01 3.90 -2.892319898e-01 -2.892319898e-01 3.92 -2.703335221e-01 -2.703335221e-01 3.94 -2.531392859e-01 -2.531392859e-01 3.96 -2.374764351e-01 -2.374764351e-01 3.98 -2.231844372e-01 -2.231844372e-01 4.00 -2.101139508e-01 -2.101139508e-01 4.02 -1.981262012e-01 -1.981262012e-01 4.04 -1.870926749e-01 -1.870926749e-01 4.06 -1.768949672e-01 -1.768949672e-01 4.08 -1.674246471e-01 -1.674246471e-01 4.10 -1.585829814e-01 -1.585829814e-01 4.12 -1.502806902e-01 -1.502806902e-01 4.14 -1.424378977e-01 -1.424378977e-01 4.16 -1.349832351e-01 -1.349832351e-01 4.18 -1.278535225e-01 -1.278535225e-01 4.20 -1.209943014e-01 -1.209943014e-01 4.22 -1.143587351e-01 -1.143587351e-01 4.24 -1.079075524e-01 -1.079075524e-01 4.26 -1.016091100e-01 -1.016091100e-01 4.28 -9.543949553e-02 -9.543949553e-02 4.30 -8.938263521e-02 -8.938263521e-02 4.32 -8.343034317e-02 -8.343034317e-02 4.34 -7.758222801e-02 -7.758222801e-02 4.36 -7.184536679e-02 -7.184536679e-02 4.38 -6.623366458e-02 -6.623366458e-02 4.40 -6.076684602e-02 -6.076684602e-02 4.42 -5.546907062e-02 -5.546907062e-02 4.44 -5.036722173e-02 -5.036722173e-02 4.46 -4.548897875e-02 -4.548897875e-02 4.48 -4.086083097e-02 -4.086083097e-02 4.50 -3.650621650e-02 -3.650621650e-02 4.52 -3.244396325e-02 -3.244396325e-02 4.54 -2.868716867e-02 -2.868716867e-02 4.56 -2.524259990e-02 -2.524259990e-02 4.58 -2.211061938e-02 -2.211061938e-02 4.60 -1.928557793e-02 -1.928557793e-02 4.62 -1.675638242e-02 -1.675638242e-02 4.64 -1.450761784e-02 -1.450761784e-02 4.66 -1.252126814e-02 -1.252126814e-02 4.68 -1.077710902e-02 -1.077710902e-02 4.70 -9.253730559e-03 -9.253730559e-03 4.72 -7.929432820e-03 -7.929432820e-03 4.74 -6.782938736e-03 -6.782938736e-03 4.76 -5.793923971e-03 -5.793923971e-03 4.78 -4.943379247e-03 -4.943379247e-03 4.80 -4.213829517e-03 -4.213829517e-03 4.82 -3.589437946e-03 -3.589437946e-03 4.84 -3.056021692e-03 -3.056021692e-03 4.86 -2.601004701e-03 -2.601004701e-03 4.88 -2.213327937e-03 -2.213327937e-03 4.90 -1.883333830e-03 -1.883333830e-03 4.92 -1.602637675e-03 -1.602637675e-03 4.94 -1.363995211e-03 -1.363995211e-03 4.96 -1.161172836e-03 -1.161172836e-03 4.98 -9.888246184e-04 -9.888246184e-04 5.00 -8.423785927e-04 -8.423785927e-04 5.02 -7.179335737e-04 -7.179335737e-04 5.04 -6.121668618e-04 -6.121668618e-04 5.06 -5.222526250e-04 -5.222526250e-04 5.08 -4.457903744e-04 -4.457903744e-04 5.10 -3.807427480e-04 -3.807427480e-04 5.12 -3.253817096e-04 -3.253817096e-04 5.14 -2.782422521e-04 -2.782422521e-04 5.16 -2.380827157e-04 -2.380827157e-04 5.18 -2.038508830e-04 -2.038508830e-04 5.20 -1.746550890e-04 -1.746550890e-04 5.22 -1.497396518e-04 -1.497396518e-04 5.24 -1.284640171e-04 -1.284640171e-04 5.26 -1.102850759e-04 -1.102850759e-04 5.28 -9.474218842e-05 -9.474218842e-05 5.30 -8.144451069e-05 -8.144451069e-05 5.32 -7.006027507e-05 -7.006027507e-05 5.34 -6.030772681e-05 -6.030772681e-05 5.36 -5.194746275e-05 -5.194746275e-05 5.38 -4.477595560e-05 -4.477595560e-05 5.40 -3.862008017e-05 -3.862008017e-05 5.42 -3.333248611e-05 -3.333248611e-05 5.44 -2.878768520e-05 -2.878768520e-05 5.46 -2.487874211e-05 -2.487874211e-05 5.48 -2.151447444e-05 -2.151447444e-05 5.50 -1.861708288e-05 -1.861708288e-05 5.52 -1.612014438e-05 -1.612014438e-05 5.54 -1.396691210e-05 -1.396691210e-05 5.56 -1.210887431e-05 -1.210887431e-05 5.58 -1.050453233e-05 -1.050453233e-05 5.60 -9.118363530e-06 -9.118363530e-06 5.62 -7.919940902e-06 -7.919940902e-06 5.64 -6.883185121e-06 -6.883185121e-06 5.66 -5.985728768e-06 -5.985728768e-06 5.68 -5.208375565e-06 -5.208375565e-06 5.70 -4.534640147e-06 -4.534640147e-06 5.72 -3.950356118e-06 -3.950356118e-06 5.74 -3.443342054e-06 -3.443342054e-06 5.76 -3.003116707e-06 -3.003116707e-06 5.78 -2.620656008e-06 -2.620656008e-06 5.80 -2.288185595e-06 -2.288185595e-06 5.82 -1.999003566e-06 -1.999003566e-06 5.84 -1.747328961e-06 -1.747328961e-06 5.86 -1.528172137e-06 -1.528172137e-06 5.88 -1.337223828e-06 -1.337223828e-06 5.90 -1.170760114e-06 -1.170760114e-06 5.92 -1.025560978e-06 -1.025560978e-06 5.94 -8.988404639e-07 -8.988404639e-07 5.96 -7.881867362e-07 -7.881867362e-07 5.98 -6.915106212e-07 -6.915106212e-07 6.00 -6.070013866e-07 -6.070013866e-07