# 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 = CoPdW2 # 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 3.602353466e+02 3.602353466e+02 1.30 3.327547858e+02 3.327547858e+02 1.32 3.073853389e+02 3.073853389e+02 1.34 2.839474902e+02 2.839474902e+02 1.36 2.622784676e+02 2.622784676e+02 1.38 2.422309188e+02 2.422309188e+02 1.40 2.236724988e+02 2.236724988e+02 1.42 2.064849451e+02 2.064849451e+02 1.44 1.905622537e+02 1.905622537e+02 1.46 1.758083764e+02 1.758083764e+02 1.48 1.621352135e+02 1.621352135e+02 1.50 1.494614678e+02 1.494614678e+02 1.52 1.377122211e+02 1.377122211e+02 1.54 1.268187064e+02 1.268187064e+02 1.56 1.167179328e+02 1.167179328e+02 1.58 1.073520553e+02 1.073520553e+02 1.60 9.866759291e+01 9.866759291e+01 1.62 9.061471334e+01 9.061471334e+01 1.64 8.314672644e+01 8.314672644e+01 1.66 7.621978829e+01 7.621978829e+01 1.68 6.979278249e+01 6.979278249e+01 1.70 6.382733437e+01 6.382733437e+01 1.72 5.828788793e+01 5.828788793e+01 1.74 5.314181483e+01 5.314181483e+01 1.76 4.835956384e+01 4.835956384e+01 1.78 4.391478226e+01 4.391478226e+01 1.80 3.978424541e+01 3.978424541e+01 1.82 3.594813119e+01 3.594813119e+01 1.84 3.238899038e+01 3.238899038e+01 1.86 2.908984084e+01 2.908984084e+01 1.88 2.603599653e+01 2.603599653e+01 1.90 2.322641202e+01 2.322641202e+01 1.92 2.064731101e+01 2.064731101e+01 1.94 1.828125122e+01 1.828125122e+01 1.96 1.611179454e+01 1.611179454e+01 1.98 1.412352265e+01 1.412352265e+01 2.00 1.230202652e+01 1.230202652e+01 2.02 1.063387283e+01 1.063387283e+01 2.04 9.106530842e+00 9.106530842e+00 2.06 7.708261699e+00 7.708261699e+00 2.08 6.428006475e+00 6.428006475e+00 2.10 5.255320366e+00 5.255320366e+00 2.12 4.180381517e+00 4.180381517e+00 2.14 3.194069404e+00 3.194069404e+00 2.16 2.288078326e+00 2.288078326e+00 2.18 1.455017938e+00 1.455017938e+00 2.20 6.884588358e-01 6.884588358e-01 2.22 -1.709711731e-02 -1.709711731e-02 2.24 -6.663156101e-01 -6.663156101e-01 2.26 -1.263172640e+00 -1.263172640e+00 2.28 -1.811110342e+00 -1.811110342e+00 2.30 -2.313180741e+00 -2.313180741e+00 2.32 -2.772162892e+00 -2.772162892e+00 2.34 -3.190648679e+00 -3.190648679e+00 2.36 -3.571099191e+00 -3.571099191e+00 2.38 -3.915876996e+00 -3.915876996e+00 2.40 -4.227253747e+00 -4.227253747e+00 2.42 -4.507253634e+00 -4.507253634e+00 2.44 -4.758086415e+00 -4.758086415e+00 2.46 -4.981975780e+00 -4.981975780e+00 2.48 -5.181015625e+00 -5.181015625e+00 2.50 -5.357162993e+00 -5.357162993e+00 2.52 -5.512225662e+00 -5.512225662e+00 2.54 -5.647849015e+00 -5.647849015e+00 2.56 -5.765431645e+00 -5.765431645e+00 2.58 -5.865683549e+00 -5.865683549e+00 2.60 -5.949062245e+00 -5.949062245e+00 2.62 -6.016044351e+00 -6.016044351e+00 2.64 -6.067112852e+00 -6.067112852e+00 2.66 -6.102749310e+00 -6.102749310e+00 2.68 -6.123432682e+00 -6.123432682e+00 2.70 -6.129643773e+00 -6.129643773e+00 2.72 -6.121872578e+00 -6.121872578e+00 2.74 -6.100625425e+00 -6.100625425e+00 2.76 -6.066430116e+00 -6.066430116e+00 2.78 -6.019842302e+00 -6.019842302e+00 2.80 -5.961481900e+00 -5.961481900e+00 2.82 -5.891938055e+00 -5.891938055e+00 2.84 -5.811824693e+00 -5.811824693e+00 2.86 -5.721814834e+00 -5.721814834e+00 2.88 -5.622652171e+00 -5.622652171e+00 2.90 -5.515255197e+00 -5.515255197e+00 2.92 -5.400834198e+00 -5.400834198e+00 2.94 -5.280251919e+00 -5.280251919e+00 2.96 -5.154421933e+00 -5.154421933e+00 2.98 -5.024294562e+00 -5.024294562e+00 3.00 -4.890874857e+00 -4.890874857e+00 3.02 -4.755189272e+00 -4.755189272e+00 3.04 -4.618233377e+00 -4.618233377e+00 3.06 -4.480929817e+00 -4.480929817e+00 3.08 -4.344119699e+00 -4.344119699e+00 3.10 -4.208489259e+00 -4.208489259e+00 3.12 -4.074535765e+00 -4.074535765e+00 3.14 -3.942567710e+00 -3.942567710e+00 3.16 -3.812719269e+00 -3.812719269e+00 3.18 -3.684975832e+00 -3.684975832e+00 3.20 -3.559206488e+00 -3.559206488e+00 3.22 -3.435199553e+00 -3.435199553e+00 3.24 -3.312698025e+00 -3.312698025e+00 3.26 -3.191432841e+00 -3.191432841e+00 3.28 -3.071152715e+00 -3.071152715e+00 3.30 -2.951649938e+00 -2.951649938e+00 3.32 -2.832781813e+00 -2.832781813e+00 3.34 -2.714487448e+00 -2.714487448e+00 3.36 -2.596799502e+00 -2.596799502e+00 3.38 -2.479850311e+00 -2.479850311e+00 3.40 -2.363871814e+00 -2.363871814e+00 3.42 -2.249188784e+00 -2.249188784e+00 3.44 -2.136205297e+00 -2.136205297e+00 3.46 -2.025384943e+00 -2.025384943e+00 3.48 -1.917226028e+00 -1.917226028e+00 3.50 -1.812233706e+00 -1.812233706e+00 3.52 -1.710891505e+00 -1.710891505e+00 3.54 -1.613634848e+00 -1.613634848e+00 3.56 -1.520828967e+00 -1.520828967e+00 3.58 -1.432752975e+00 -1.432752975e+00 3.60 -1.349591035e+00 -1.349591035e+00 3.62 -1.271430635e+00 -1.271430635e+00 3.64 -1.198267194e+00 -1.198267194e+00 3.66 -1.130013634e+00 -1.130013634e+00 3.68 -1.066513274e+00 -1.066513274e+00 3.70 -1.007554414e+00 -1.007554414e+00 3.72 -9.528851518e-01 -9.528851518e-01 3.74 -9.022273128e-01 -9.022273128e-01 3.76 -8.552887611e-01 -8.552887611e-01 3.78 -8.117736766e-01 -8.117736766e-01 3.80 -7.713906944e-01 -7.713906944e-01 3.82 -7.338589978e-01 -7.338589978e-01 3.84 -6.989125943e-01 -6.989125943e-01 3.86 -6.663030691e-01 -6.663030691e-01 3.88 -6.358011275e-01 -6.358011275e-01 3.90 -6.071972237e-01 -6.071972237e-01 3.92 -5.803015366e-01 -5.803015366e-01 3.94 -5.549435085e-01 -5.549435085e-01 3.96 -5.309711086e-01 -5.309711086e-01 3.98 -5.082499417e-01 -5.082499417e-01 4.00 -4.866622678e-01 -4.866622678e-01 4.02 -4.661059655e-01 -4.661059655e-01 4.04 -4.464934349e-01 -4.464934349e-01 4.06 -4.277504204e-01 -4.277504204e-01 4.08 -4.098147220e-01 -4.098147220e-01 4.10 -3.926347795e-01 -3.926347795e-01 4.12 -3.761681350e-01 -3.761681350e-01 4.14 -3.603798047e-01 -3.603798047e-01 4.16 -3.452406399e-01 -3.452406399e-01 4.18 -3.307257556e-01 -3.307257556e-01 4.20 -3.168131178e-01 -3.168131178e-01 4.22 -3.034823488e-01 -3.034823488e-01 4.24 -2.907137844e-01 -2.907137844e-01 4.26 -2.784877591e-01 -2.784877591e-01 4.28 -2.667840748e-01 -2.667840748e-01 4.30 -2.555816069e-01 -2.555816069e-01 4.32 -2.448579944e-01 -2.448579944e-01 4.34 -2.345894034e-01 -2.345894034e-01 4.36 -2.247502496e-01 -2.247502496e-01 4.38 -2.153136028e-01 -2.153136028e-01 4.40 -2.062511402e-01 -2.062511402e-01 4.42 -1.975335095e-01 -1.975335095e-01 4.44 -1.891306332e-01 -1.891306332e-01 4.46 -1.810122847e-01 -1.810122847e-01 4.48 -1.731487105e-01 -1.731487105e-01 4.50 -1.655112537e-01 -1.655112537e-01 4.52 -1.580729499e-01 -1.580729499e-01 4.54 -1.508090791e-01 -1.508090791e-01 4.56 -1.436976664e-01 -1.436976664e-01 4.58 -1.367199301e-01 -1.367199301e-01 4.60 -1.298606726e-01 -1.298606726e-01 4.62 -1.231086075e-01 -1.231086075e-01 4.64 -1.164566046e-01 -1.164566046e-01 4.66 -1.099018289e-01 -1.099018289e-01 4.68 -1.034457469e-01 -1.034457469e-01 4.70 -9.709397147e-02 -9.709397147e-02 4.72 -9.085592976e-02 -9.085592976e-02 4.74 -8.474434924e-02 -8.474434924e-02 4.76 -7.877458197e-02 -7.877458197e-02 4.78 -7.296380617e-02 -7.296380617e-02 4.80 -6.733016337e-02 -6.733016337e-02 4.82 -6.189190033e-02 -6.189190033e-02 4.84 -5.666657810e-02 -5.666657810e-02 4.86 -5.167040351e-02 -5.167040351e-02 4.88 -4.691770716e-02 -4.691770716e-02 4.90 -4.242056960e-02 -4.242056960e-02 4.92 -3.818857355e-02 -3.818857355e-02 4.94 -3.422864783e-02 -3.422864783e-02 4.96 -3.054496860e-02 -3.054496860e-02 4.98 -2.713889492e-02 -2.713889492e-02 5.00 -2.400893773e-02 -2.400893773e-02 5.02 -2.115077188e-02 -2.115077188e-02 5.04 -1.855731464e-02 -1.855731464e-02 5.06 -1.621865450e-02 -1.621865450e-02 5.08 -1.412265516e-02 -1.412265516e-02 5.10 -1.225565011e-02 -1.225565011e-02 5.12 -1.060233388e-02 -1.060233388e-02 5.14 -9.146284542e-03 -9.146284542e-03 5.16 -7.870490469e-03 -7.870490469e-03 5.18 -6.757840686e-03 -6.757840686e-03 5.20 -5.791552031e-03 -5.791552031e-03 5.22 -4.955516368e-03 -4.955516368e-03 5.24 -4.234561401e-03 -4.234561401e-03 5.26 -3.614627345e-03 -3.614627345e-03 5.28 -3.082867961e-03 -3.082867961e-03 5.30 -2.627688090e-03 -2.627688090e-03 5.32 -2.238731178e-03 -2.238731178e-03 5.34 -1.906830016e-03 -1.906830016e-03 5.36 -1.623932472e-03 -1.623932472e-03 5.38 -1.383012136e-03 -1.383012136e-03 5.40 -1.177971658e-03 -1.177971658e-03 5.42 -1.003544656e-03 -1.003544656e-03 5.44 -8.552002959e-04 -8.552002959e-04 5.46 -7.290532813e-04 -7.290532813e-04 5.48 -6.217808499e-04 -6.217808499e-04 5.50 -5.305475824e-04 -5.305475824e-04 5.52 -4.529382216e-04 -4.529382216e-04 5.54 -3.868983114e-04 -3.868983114e-04 5.56 -3.306822114e-04 -3.306822114e-04 5.58 -2.828078986e-04 -2.828078986e-04 5.60 -2.420179015e-04 -2.420179015e-04 5.62 -2.072456946e-04 -2.072456946e-04 5.64 -1.775869046e-04 -1.775869046e-04 5.66 -1.522747152e-04 -1.522747152e-04 5.68 -1.306589128e-04 -1.306589128e-04 5.70 -1.121880712e-04 -1.121880712e-04 5.72 -9.639442826e-05 -9.639442826e-05 5.74 -8.288106486e-05 -8.288106486e-05 5.76 -7.131104591e-05 -7.131104591e-05 5.78 -6.139822931e-05 -6.139822931e-05 5.80 -5.289949077e-05 -5.289949077e-05 5.82 -4.560814824e-05 -4.560814824e-05 5.84 -3.934840172e-05 -3.934840172e-05 5.86 -3.397063168e-05 -3.397063168e-05 5.88 -2.934742312e-05 -2.934742312e-05 5.90 -2.537020272e-05 -2.537020272e-05 5.92 -2.194639360e-05 -2.194639360e-05 5.94 -1.899700736e-05 -1.899700736e-05 5.96 -1.645460522e-05 -1.645460522e-05 5.98 -1.426157106e-05 -1.426157106e-05 6.00 -1.236864782e-05 -1.236864782e-05