# 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 = Co2MgW # 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 2.933736310e+02 2.933736310e+02 1.30 2.701672353e+02 2.701672353e+02 1.32 2.488017462e+02 2.488017462e+02 1.34 2.291231827e+02 2.291231827e+02 1.36 2.109889664e+02 2.109889664e+02 1.38 1.942678467e+02 1.942678467e+02 1.40 1.788402372e+02 1.788402372e+02 1.42 1.645981600e+02 1.645981600e+02 1.44 1.514442782e+02 1.514442782e+02 1.46 1.392905492e+02 1.392905492e+02 1.48 1.280573328e+02 1.280573328e+02 1.50 1.176728833e+02 1.176728833e+02 1.52 1.080725969e+02 1.080725969e+02 1.54 9.919795226e+01 9.919795226e+01 1.56 9.099558679e+01 9.099558679e+01 1.58 8.341662362e+01 8.341662362e+01 1.60 7.641605027e+01 7.641605027e+01 1.62 6.995205006e+01 6.995205006e+01 1.64 6.398539171e+01 6.398539171e+01 1.66 5.847904054e+01 5.847904054e+01 1.68 5.339834789e+01 5.339834789e+01 1.70 4.871118623e+01 4.871118623e+01 1.72 4.438709828e+01 4.438709828e+01 1.74 4.039769295e+01 4.039769295e+01 1.76 3.671701126e+01 3.671701126e+01 1.78 3.332168265e+01 3.332168265e+01 1.80 3.018894314e+01 3.018894314e+01 1.82 2.729798213e+01 2.729798213e+01 1.84 2.463001296e+01 2.463001296e+01 1.86 2.216818596e+01 2.216818596e+01 1.88 1.989739602e+01 1.989739602e+01 1.90 1.780400832e+01 1.780400832e+01 1.92 1.587554554e+01 1.587554554e+01 1.94 1.410040882e+01 1.410040882e+01 1.96 1.246769165e+01 1.246769165e+01 1.98 1.096710115e+01 1.096710115e+01 2.00 9.588950611e+00 9.588950611e+00 2.02 8.324164898e+00 8.324164898e+00 2.04 7.164250082e+00 7.164250082e+00 2.06 6.101216130e+00 6.101216130e+00 2.08 5.127484875e+00 5.127484875e+00 2.10 4.235830208e+00 4.235830208e+00 2.12 3.419374913e+00 3.419374913e+00 2.14 2.671640190e+00 2.671640190e+00 2.16 1.986623975e+00 1.986623975e+00 2.18 1.358874724e+00 1.358874724e+00 2.20 7.835341264e-01 7.835341264e-01 2.22 2.563661360e-01 2.563661360e-01 2.24 -2.262688398e-01 -2.262688398e-01 2.26 -6.678093759e-01 -6.678093759e-01 2.28 -1.071293383e+00 -1.071293383e+00 2.30 -1.439417531e+00 -1.439417531e+00 2.32 -1.774621706e+00 -1.774621706e+00 2.34 -2.079148581e+00 -2.079148581e+00 2.36 -2.354937862e+00 -2.354937862e+00 2.38 -2.603543171e+00 -2.603543171e+00 2.40 -2.826503435e+00 -2.826503435e+00 2.42 -3.025363717e+00 -3.025363717e+00 2.44 -3.201651437e+00 -3.201651437e+00 2.46 -3.356861571e+00 -3.356861571e+00 2.48 -3.492446442e+00 -3.492446442e+00 2.50 -3.609809204e+00 -3.609809204e+00 2.52 -3.710301532e+00 -3.710301532e+00 2.54 -3.795226367e+00 -3.795226367e+00 2.56 -3.865843825e+00 -3.865843825e+00 2.58 -3.923380027e+00 -3.923380027e+00 2.60 -3.969091874e+00 -3.969091874e+00 2.62 -4.004036989e+00 -4.004036989e+00 2.64 -4.029148373e+00 -4.029148373e+00 2.66 -4.045264741e+00 -4.045264741e+00 2.68 -4.053120398e+00 -4.053120398e+00 2.70 -4.053352069e+00 -4.053352069e+00 2.72 -4.046517775e+00 -4.046517775e+00 2.74 -4.033118668e+00 -4.033118668e+00 2.76 -4.013580234e+00 -4.013580234e+00 2.78 -3.988206425e+00 -3.988206425e+00 2.80 -3.957293948e+00 -3.957293948e+00 2.82 -3.921150713e+00 -3.921150713e+00 2.84 -3.880093149e+00 -3.880093149e+00 2.86 -3.834443069e+00 -3.834443069e+00 2.88 -3.784525712e+00 -3.784525712e+00 2.90 -3.730669008e+00 -3.730669008e+00 2.92 -3.673203931e+00 -3.673203931e+00 2.94 -3.612465512e+00 -3.612465512e+00 2.96 -3.548793858e+00 -3.548793858e+00 2.98 -3.482534284e+00 -3.482534284e+00 3.00 -3.414035509e+00 -3.414035509e+00 3.02 -3.343644905e+00 -3.343644905e+00 3.04 -3.271700035e+00 -3.271700035e+00 3.06 -3.198518838e+00 -3.198518838e+00 3.08 -3.124406454e+00 -3.124406454e+00 3.10 -3.049608292e+00 -3.049608292e+00 3.12 -2.974239010e+00 -2.974239010e+00 3.14 -2.898394621e+00 -2.898394621e+00 3.16 -2.822151200e+00 -2.822151200e+00 3.18 -2.745544629e+00 -2.745544629e+00 3.20 -2.668511634e+00 -2.668511634e+00 3.22 -2.591003269e+00 -2.591003269e+00 3.24 -2.513014069e+00 -2.513014069e+00 3.26 -2.434573190e+00 -2.434573190e+00 3.28 -2.355740119e+00 -2.355740119e+00 3.30 -2.276603515e+00 -2.276603515e+00 3.32 -2.197281815e+00 -2.197281815e+00 3.34 -2.117924474e+00 -2.117924474e+00 3.36 -2.038712852e+00 -2.038712852e+00 3.38 -1.959859988e+00 -1.959859988e+00 3.40 -1.881608577e+00 -1.881608577e+00 3.42 -1.804226984e+00 -1.804226984e+00 3.44 -1.728002273e+00 -1.728002273e+00 3.46 -1.653231426e+00 -1.653231426e+00 3.48 -1.580210377e+00 -1.580210377e+00 3.50 -1.509222067e+00 -1.509222067e+00 3.52 -1.440524559e+00 -1.440524559e+00 3.54 -1.374340374e+00 -1.374340374e+00 3.56 -1.310848092e+00 -1.310848092e+00 3.58 -1.250176930e+00 -1.250176930e+00 3.60 -1.192404627e+00 -1.192404627e+00 3.62 -1.137558532e+00 -1.137558532e+00 3.64 -1.085619452e+00 -1.085619452e+00 3.66 -1.036527571e+00 -1.036527571e+00 3.68 -9.901896737e-01 -9.901896737e-01 3.70 -9.464869012e-01 -9.464869012e-01 3.72 -9.052824016e-01 -9.052824016e-01 3.74 -8.664283703e-01 -8.664283703e-01 3.76 -8.297721645e-01 -8.297721645e-01 3.78 -7.951613174e-01 -7.951613174e-01 3.80 -7.624474064e-01 -7.624474064e-01 3.82 -7.314888195e-01 -7.314888195e-01 3.84 -7.021525232e-01 -7.021525232e-01 3.86 -6.743149758e-01 -6.743149758e-01 3.88 -6.478623507e-01 -6.478623507e-01 3.90 -6.226902496e-01 -6.226902496e-01 3.92 -5.987029462e-01 -5.987029462e-01 3.94 -5.758131741e-01 -5.758131741e-01 3.96 -5.539404007e-01 -5.539404007e-01 3.98 -5.330107225e-01 -5.330107225e-01 4.00 -5.129560647e-01 -5.129560647e-01 4.02 -4.937136923e-01 -4.937136923e-01 4.04 -4.752258584e-01 -4.752258584e-01 4.06 -4.574395714e-01 -4.574395714e-01 4.08 -4.403064720e-01 -4.403064720e-01 4.10 -4.237825356e-01 -4.237825356e-01 4.12 -4.078292651e-01 -4.078292651e-01 4.14 -3.924120323e-01 -3.924120323e-01 4.16 -3.775015242e-01 -3.775015242e-01 4.18 -3.630735833e-01 -3.630735833e-01 4.20 -3.491093191e-01 -3.491093191e-01 4.22 -3.355950659e-01 -3.355950659e-01 4.24 -3.225220999e-01 -3.225220999e-01 4.26 -3.098860414e-01 -3.098860414e-01 4.28 -2.976859113e-01 -2.976859113e-01 4.30 -2.859228740e-01 -2.859228740e-01 4.32 -2.745987708e-01 -2.745987708e-01 4.34 -2.637146062e-01 -2.637146062e-01 4.36 -2.532691798e-01 -2.532691798e-01 4.38 -2.432580365e-01 -2.432580365e-01 4.40 -2.336728525e-01 -2.336728525e-01 4.42 -2.245012883e-01 -2.245012883e-01 4.44 -2.157272613e-01 -2.157272613e-01 4.46 -2.073315293e-01 -2.073315293e-01 4.48 -1.992924499e-01 -1.992924499e-01 4.50 -1.915867871e-01 -1.915867871e-01 4.52 -1.841904644e-01 -1.841904644e-01 4.54 -1.770792013e-01 -1.770792013e-01 4.56 -1.702290077e-01 -1.702290077e-01 4.58 -1.636165378e-01 -1.636165378e-01 4.60 -1.572193269e-01 -1.572193269e-01 4.62 -1.510159416e-01 -1.510159416e-01 4.64 -1.449860806e-01 -1.449860806e-01 4.66 -1.391106583e-01 -1.391106583e-01 4.68 -1.333719006e-01 -1.333719006e-01 4.70 -1.277534784e-01 -1.277534784e-01 4.72 -1.222406942e-01 -1.222406942e-01 4.74 -1.168207328e-01 -1.168207328e-01 4.76 -1.114829752e-01 -1.114829752e-01 4.78 -1.062193664e-01 -1.062193664e-01 4.80 -1.010246131e-01 -1.010246131e-01 4.82 -9.589740527e-02 -9.589740527e-02 4.84 -9.083944141e-02 -9.083944141e-02 4.86 -8.585655430e-02 -8.585655430e-02 4.88 -8.095849368e-02 -8.095849368e-02 4.90 -7.615870411e-02 -7.615870411e-02 4.92 -7.147381538e-02 -7.147381538e-02 4.94 -6.692283662e-02 -6.692283662e-02 4.96 -6.252609151e-02 -6.252609151e-02 4.98 -5.830395816e-02 -5.830395816e-02 5.00 -5.427554655e-02 -5.427554655e-02 5.02 -5.045745395e-02 -5.045745395e-02 5.04 -4.686271660e-02 -4.686271660e-02 5.06 -4.350006980e-02 -4.350006980e-02 5.08 -4.037307848e-02 -4.037307848e-02 5.10 -3.748081135e-02 -3.748081135e-02 5.12 -3.481895818e-02 -3.481895818e-02 5.14 -3.237923850e-02 -3.237923850e-02 5.16 -3.015021337e-02 -3.015021337e-02 5.18 -2.811807333e-02 -2.811807333e-02 5.20 -2.626767230e-02 -2.626767230e-02 5.22 -2.458328640e-02 -2.458328640e-02 5.24 -2.304914705e-02 -2.304914705e-02 5.26 -2.164995088e-02 -2.164995088e-02 5.28 -2.037123208e-02 -2.037123208e-02 5.30 -1.919961139e-02 -1.919961139e-02 5.32 -1.812294122e-02 -1.812294122e-02 5.34 -1.713036726e-02 -1.713036726e-02 5.36 -1.621230581e-02 -1.621230581e-02 5.38 -1.536043048e-02 -1.536043048e-02 5.40 -1.456759054e-02 -1.456759054e-02 5.42 -1.382769175e-02 -1.382769175e-02 5.44 -1.313557823e-02 -1.313557823e-02 5.46 -1.248690710e-02 -1.248690710e-02 5.48 -1.187802160e-02 -1.187802160e-02 5.50 -1.130582757e-02 -1.130582757e-02 5.52 -1.076767786e-02 -1.076767786e-02 5.54 -1.026126829e-02 -1.026126829e-02 5.56 -9.784548233e-03 -9.784548233e-03 5.58 -9.335647612e-03 -9.335647612e-03 5.60 -8.912820964e-03 -8.912820964e-03 5.62 -8.514407852e-03 -8.514407852e-03 5.64 -8.138807892e-03 -8.138807892e-03 5.66 -7.784467833e-03 -7.784467833e-03 5.68 -7.449877731e-03 -7.449877731e-03 5.70 -7.133573248e-03 -7.133573248e-03 5.72 -6.834141392e-03 -6.834141392e-03 5.74 -6.550227543e-03 -6.550227543e-03 5.76 -6.280542159e-03 -6.280542159e-03 5.78 -6.023866167e-03 -6.023866167e-03 5.80 -5.779054541e-03 -5.779054541e-03 5.82 -5.545037940e-03 -5.545037940e-03 5.84 -5.320822594e-03 -5.320822594e-03 5.86 -5.105488741e-03 -5.105488741e-03 5.88 -4.898188047e-03 -4.898188047e-03 5.90 -4.698140423e-03 -4.698140423e-03 5.92 -4.504630644e-03 -4.504630644e-03 5.94 -4.317005117e-03 -4.317005117e-03 5.96 -4.134669093e-03 -4.134669093e-03 5.98 -3.957084538e-03 -3.957084538e-03 6.00 -3.783768814e-03 -3.783768814e-03