# 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 = Mo2TiZr # 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 3.281059385e+02 3.281059385e+02 1.30 3.042854106e+02 3.042854106e+02 1.32 2.822383504e+02 2.822383504e+02 1.34 2.618125128e+02 2.618125128e+02 1.36 2.428680484e+02 2.428680484e+02 1.38 2.252784736e+02 2.252784736e+02 1.40 2.089309572e+02 2.089309572e+02 1.42 1.937253572e+02 1.937253572e+02 1.44 1.795726884e+02 1.795726884e+02 1.46 1.663937626e+02 1.663937626e+02 1.48 1.541180387e+02 1.541180387e+02 1.50 1.426824506e+02 1.426824506e+02 1.52 1.320302933e+02 1.320302933e+02 1.54 1.221102994e+02 1.221102994e+02 1.56 1.128759643e+02 1.128759643e+02 1.58 1.042849015e+02 1.042849015e+02 1.60 9.629792910e+01 9.629792910e+01 1.62 8.887792006e+01 8.887792006e+01 1.64 8.198878745e+01 8.198878745e+01 1.66 7.559488951e+01 7.559488951e+01 1.68 6.966095418e+01 6.966095418e+01 1.70 6.415250169e+01 6.415250169e+01 1.72 5.903647355e+01 5.903647355e+01 1.74 5.428184594e+01 5.428184594e+01 1.76 4.986000337e+01 4.986000337e+01 1.78 4.574485574e+01 4.574485574e+01 1.80 4.191275495e+01 4.191275495e+01 1.82 3.834235807e+01 3.834235807e+01 1.84 3.501443864e+01 3.501443864e+01 1.86 3.191175972e+01 3.191175972e+01 1.88 2.901891405e+01 2.901891405e+01 1.90 2.632215017e+01 2.632215017e+01 1.92 2.380946094e+01 2.380946094e+01 1.94 2.147028094e+01 2.147028094e+01 1.96 1.929736355e+01 1.929736355e+01 1.98 1.728063320e+01 1.728063320e+01 2.00 1.541000732e+01 1.541000732e+01 2.02 1.367582141e+01 1.367582141e+01 2.04 1.206876454e+01 1.206876454e+01 2.06 1.057983180e+01 1.057983180e+01 2.08 9.200313922e+00 9.200313922e+00 2.10 7.921845736e+00 7.921845736e+00 2.12 6.736500060e+00 6.736500060e+00 2.14 5.636896909e+00 5.636896909e+00 2.16 4.616305732e+00 4.616305732e+00 2.18 3.668691101e+00 3.668691101e+00 2.20 2.788699065e+00 2.788699065e+00 2.22 1.971574522e+00 1.971574522e+00 2.24 1.213059100e+00 1.213059100e+00 2.26 5.092978493e-01 5.092978493e-01 2.28 -1.432376813e-01 -1.432376813e-01 2.30 -7.477789432e-01 -7.477789432e-01 2.32 -1.307313391e+00 -1.307313391e+00 2.34 -1.824590292e+00 -1.824590292e+00 2.36 -2.302163296e+00 -2.302163296e+00 2.38 -2.742415901e+00 -2.742415901e+00 2.40 -3.147590899e+00 -3.147590899e+00 2.42 -3.519820664e+00 -3.519820664e+00 2.44 -3.861143108e+00 -3.861143108e+00 2.46 -4.173513899e+00 -4.173513899e+00 2.48 -4.458802110e+00 -4.458802110e+00 2.50 -4.718776885e+00 -4.718776885e+00 2.52 -4.955089195e+00 -4.955089195e+00 2.54 -5.169254264e+00 -5.169254264e+00 2.56 -5.362639845e+00 -5.362639845e+00 2.58 -5.536464781e+00 -5.536464781e+00 2.60 -5.691810187e+00 -5.691810187e+00 2.62 -5.829639694e+00 -5.829639694e+00 2.64 -5.950837920e+00 -5.950837920e+00 2.66 -6.056224486e+00 -6.056224486e+00 2.68 -6.146590152e+00 -6.146590152e+00 2.70 -6.222711614e+00 -6.222711614e+00 2.72 -6.285369299e+00 -6.285369299e+00 2.74 -6.335391146e+00 -6.335391146e+00 2.76 -6.373502951e+00 -6.373502951e+00 2.78 -6.400409105e+00 -6.400409105e+00 2.80 -6.416712979e+00 -6.416712979e+00 2.82 -6.422938637e+00 -6.422938637e+00 2.84 -6.420009237e+00 -6.420009237e+00 2.86 -6.408830473e+00 -6.408830473e+00 2.88 -6.390267894e+00 -6.390267894e+00 2.90 -6.365115753e+00 -6.365115753e+00 2.92 -6.334048696e+00 -6.334048696e+00 2.94 -6.297631543e+00 -6.297631543e+00 2.96 -6.256291901e+00 -6.256291901e+00 2.98 -6.209992613e+00 -6.209992613e+00 3.00 -6.158660454e+00 -6.158660454e+00 3.02 -6.102309511e+00 -6.102309511e+00 3.04 -6.041021633e+00 -6.041021633e+00 3.06 -5.974932884e+00 -5.974932884e+00 3.08 -5.904164719e+00 -5.904164719e+00 3.10 -5.828766900e+00 -5.828766900e+00 3.12 -5.748784913e+00 -5.748784913e+00 3.14 -5.664275854e+00 -5.664275854e+00 3.16 -5.575288065e+00 -5.575288065e+00 3.18 -5.481876144e+00 -5.481876144e+00 3.20 -5.384103960e+00 -5.384103960e+00 3.22 -5.282053419e+00 -5.282053419e+00 3.24 -5.175834612e+00 -5.175834612e+00 3.26 -5.065596440e+00 -5.065596440e+00 3.28 -4.951536665e+00 -4.951536665e+00 3.30 -4.833910112e+00 -4.833910112e+00 3.32 -4.713033966e+00 -4.713033966e+00 3.34 -4.589289629e+00 -4.589289629e+00 3.36 -4.463121419e+00 -4.463121419e+00 3.38 -4.335032789e+00 -4.335032789e+00 3.40 -4.205579642e+00 -4.205579642e+00 3.42 -4.075366642e+00 -4.075366642e+00 3.44 -3.945030375e+00 -3.945030375e+00 3.46 -3.815230099e+00 -3.815230099e+00 3.48 -3.686629134e+00 -3.686629134e+00 3.50 -3.559874552e+00 -3.559874552e+00 3.52 -3.435575471e+00 -3.435575471e+00 3.54 -3.314281967e+00 -3.314281967e+00 3.56 -3.196466670e+00 -3.196466670e+00 3.58 -3.082510812e+00 -3.082510812e+00 3.60 -2.972695963e+00 -2.972695963e+00 3.62 -2.867202000e+00 -2.867202000e+00 3.64 -2.766111188e+00 -2.766111188e+00 3.66 -2.669417530e+00 -2.669417530e+00 3.68 -2.577040088e+00 -2.577040088e+00 3.70 -2.488838652e+00 -2.488838652e+00 3.72 -2.404630187e+00 -2.404630187e+00 3.74 -2.324204695e+00 -2.324204695e+00 3.76 -2.247339492e+00 -2.247339492e+00 3.78 -2.173811249e+00 -2.173811249e+00 3.80 -2.103405435e+00 -2.103405435e+00 3.82 -2.035922977e+00 -2.035922977e+00 3.84 -1.971184132e+00 -1.971184132e+00 3.86 -1.909029687e+00 -1.909029687e+00 3.88 -1.849319822e+00 -1.849319822e+00 3.90 -1.791931166e+00 -1.791931166e+00 3.92 -1.736751092e+00 -1.736751092e+00 3.94 -1.683680719e+00 -1.683680719e+00 3.96 -1.632619862e+00 -1.632619862e+00 3.98 -1.583472523e+00 -1.583472523e+00 4.00 -1.536143473e+00 -1.536143473e+00 4.02 -1.490538163e+00 -1.490538163e+00 4.04 -1.446563483e+00 -1.446563483e+00 4.06 -1.404128962e+00 -1.404128962e+00 4.08 -1.363148033e+00 -1.363148033e+00 4.10 -1.323533926e+00 -1.323533926e+00 4.12 -1.285222119e+00 -1.285222119e+00 4.14 -1.248136462e+00 -1.248136462e+00 4.16 -1.212213348e+00 -1.212213348e+00 4.18 -1.177395084e+00 -1.177395084e+00 4.20 -1.143629504e+00 -1.143629504e+00 4.22 -1.110869470e+00 -1.110869470e+00 4.24 -1.079072336e+00 -1.079072336e+00 4.26 -1.048199396e+00 -1.048199396e+00 4.28 -1.018215365e+00 -1.018215365e+00 4.30 -9.890879040e-01 -9.890879040e-01 4.32 -9.607871887e-01 -9.607871887e-01 4.34 -9.332855377e-01 -9.332855377e-01 4.36 -9.065570899e-01 -9.065570899e-01 4.38 -8.805775310e-01 -8.805775310e-01 4.40 -8.553238628e-01 -8.553238628e-01 4.42 -8.307742102e-01 -8.307742102e-01 4.44 -8.069076594e-01 -8.069076594e-01 4.46 -7.837041241e-01 -7.837041241e-01 4.48 -7.611442334e-01 -7.611442334e-01 4.50 -7.392092379e-01 -7.392092379e-01 4.52 -7.178809316e-01 -7.178809316e-01 4.54 -6.971415855e-01 -6.971415855e-01 4.56 -6.769738928e-01 -6.769738928e-01 4.58 -6.573609220e-01 -6.573609220e-01 4.60 -6.382860794e-01 -6.382860794e-01 4.62 -6.197330784e-01 -6.197330784e-01 4.64 -6.016859178e-01 -6.016859178e-01 4.66 -5.841288676e-01 -5.841288676e-01 4.68 -5.670464653e-01 -5.670464653e-01 4.70 -5.504235230e-01 -5.504235230e-01 4.72 -5.342451469e-01 -5.342451469e-01 4.74 -5.184967725e-01 -5.184967725e-01 4.76 -5.031642151e-01 -5.031642151e-01 4.78 -4.882337401e-01 -4.882337401e-01 4.80 -4.736889537e-01 -4.736889537e-01 4.82 -4.595242365e-01 -4.595242365e-01 4.84 -4.457239615e-01 -4.457239615e-01 4.86 -4.322772410e-01 -4.322772410e-01 4.88 -4.191741982e-01 -4.191741982e-01 4.90 -4.064060750e-01 -4.064060750e-01 4.92 -3.939653094e-01 -3.939653094e-01 4.94 -3.818455590e-01 -3.818455590e-01 4.96 -3.700416561e-01 -3.700416561e-01 4.98 -3.585494809e-01 -3.585494809e-01 5.00 -3.473657461e-01 -3.473657461e-01 5.02 -3.364877009e-01 -3.364877009e-01 5.04 -3.259127729e-01 -3.259127729e-01 5.06 -3.156381790e-01 -3.156381790e-01 5.08 -3.056604884e-01 -3.056604884e-01 5.10 -2.959752688e-01 -2.959752688e-01 5.12 -2.865771511e-01 -2.865771511e-01 5.14 -2.774594496e-01 -2.774594496e-01 5.16 -2.686141296e-01 -2.686141296e-01 5.18 -2.600319135e-01 -2.600319135e-01 5.20 -2.517024854e-01 -2.517024854e-01 5.22 -2.436147688e-01 -2.436147688e-01 5.24 -2.357572486e-01 -2.357572486e-01 5.26 -2.281183098e-01 -2.281183098e-01 5.28 -2.206865704e-01 -2.206865704e-01 5.30 -2.134511897e-01 -2.134511897e-01 5.32 -2.064021388e-01 -2.064021388e-01 5.34 -1.995304216e-01 -1.995304216e-01 5.36 -1.928282394e-01 -1.928282394e-01 5.38 -1.862890906e-01 -1.862890906e-01 5.40 -1.799078001e-01 -1.799078001e-01 5.42 -1.736804757e-01 -1.736804757e-01 5.44 -1.676043909e-01 -1.676043909e-01 5.46 -1.616778014e-01 -1.616778014e-01 5.48 -1.558997057e-01 -1.558997057e-01 5.50 -1.502695725e-01 -1.502695725e-01 5.52 -1.447870576e-01 -1.447870576e-01 5.54 -1.394517401e-01 -1.394517401e-01 5.56 -1.342629035e-01 -1.342629035e-01 5.58 -1.292193854e-01 -1.292193854e-01 5.60 -1.243193857e-01 -1.243193857e-01 5.62 -1.195606643e-01 -1.195606643e-01 5.64 -1.149407470e-01 -1.149407470e-01 5.66 -1.104568529e-01 -1.104568529e-01 5.68 -1.061060813e-01 -1.061060813e-01 5.70 -1.018855997e-01 -1.018855997e-01 5.72 -9.779280872e-02 -9.779280872e-02 5.74 -9.382545610e-02 -9.382545610e-02 5.76 -8.998168681e-02 -8.998168681e-02 5.78 -8.626002048e-02 -8.626002048e-02 5.80 -8.265925954e-02 -8.265925954e-02 5.82 -7.917833963e-02 -7.917833963e-02 5.84 -7.581614127e-02 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