# 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 = Mo2NiPd # 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 2.632292653e+02 2.632292653e+02 1.30 2.434205996e+02 2.434205996e+02 1.32 2.250991748e+02 2.250991748e+02 1.34 2.081412660e+02 2.081412660e+02 1.36 1.924345803e+02 1.924345803e+02 1.38 1.778771586e+02 1.778771586e+02 1.40 1.643766028e+02 1.643766028e+02 1.42 1.518493093e+02 1.518493093e+02 1.44 1.402197545e+02 1.402197545e+02 1.46 1.294196828e+02 1.294196828e+02 1.48 1.193871296e+02 1.193871296e+02 1.50 1.100655128e+02 1.100655128e+02 1.52 1.014030416e+02 1.014030416e+02 1.54 9.335235579e+01 9.335235579e+01 1.56 8.587006312e+01 8.587006312e+01 1.58 7.891604341e+01 7.891604341e+01 1.60 7.245276879e+01 7.245276879e+01 1.62 6.644492375e+01 6.644492375e+01 1.64 6.085932194e+01 6.085932194e+01 1.66 5.566492345e+01 5.566492345e+01 1.68 5.083283936e+01 5.083283936e+01 1.70 4.633634470e+01 4.633634470e+01 1.72 4.215092114e+01 4.215092114e+01 1.74 3.825577497e+01 3.825577497e+01 1.76 3.463498035e+01 3.463498035e+01 1.78 3.127961238e+01 3.127961238e+01 1.80 2.818451972e+01 2.818451972e+01 1.82 2.533149152e+01 2.533149152e+01 1.84 2.270319155e+01 2.270319155e+01 1.86 2.028320922e+01 2.028320922e+01 1.88 1.805607576e+01 1.805607576e+01 1.90 1.600731556e+01 1.600731556e+01 1.92 1.412348725e+01 1.412348725e+01 1.94 1.239218103e+01 1.239218103e+01 1.96 1.080196484e+01 1.080196484e+01 1.98 9.342290028e+00 9.342290028e+00 2.00 8.003372031e+00 8.003372031e+00 2.02 6.776061628e+00 6.776061628e+00 2.04 5.651723748e+00 5.651723748e+00 2.06 4.622142688e+00 4.622142688e+00 2.08 3.679471726e+00 3.679471726e+00 2.10 2.816238267e+00 2.816238267e+00 2.12 2.025401989e+00 2.025401989e+00 2.14 1.300446358e+00 1.300446358e+00 2.16 6.354710545e-01 6.354710545e-01 2.18 2.525183694e-02 2.525183694e-02 2.20 -5.347536520e-01 -5.347536520e-01 2.22 -1.048456821e+00 -1.048456821e+00 2.24 -1.519232078e+00 -1.519232078e+00 2.26 -1.950031923e+00 -1.950031923e+00 2.28 -2.343501838e+00 -2.343501838e+00 2.30 -2.702078964e+00 -2.702078964e+00 2.32 -3.028064427e+00 -3.028064427e+00 2.34 -3.323664063e+00 -3.323664063e+00 2.36 -3.590997816e+00 -3.590997816e+00 2.38 -3.832085680e+00 -3.832085680e+00 2.40 -4.048824752e+00 -4.048824752e+00 2.42 -4.242972723e+00 -4.242972723e+00 2.44 -4.416146071e+00 -4.416146071e+00 2.46 -4.569766344e+00 -4.569766344e+00 2.48 -4.704966008e+00 -4.704966008e+00 2.50 -4.823258225e+00 -4.823258225e+00 2.52 -4.926057925e+00 -4.926057925e+00 2.54 -5.014605555e+00 -5.014605555e+00 2.56 -5.089968143e+00 -5.089968143e+00 2.58 -5.153048340e+00 -5.153048340e+00 2.60 -5.204605149e+00 -5.204605149e+00 2.62 -5.245232762e+00 -5.245232762e+00 2.64 -5.275087954e+00 -5.275087954e+00 2.66 -5.294204434e+00 -5.294204434e+00 2.68 -5.302688750e+00 -5.302688750e+00 2.70 -5.300721729e+00 -5.300721729e+00 2.72 -5.288555843e+00 -5.288555843e+00 2.74 -5.266506631e+00 -5.266506631e+00 2.76 -5.234941083e+00 -5.234941083e+00 2.78 -5.194323489e+00 -5.194323489e+00 2.80 -5.145372568e+00 -5.145372568e+00 2.82 -5.088447528e+00 -5.088447528e+00 2.84 -5.023819767e+00 -5.023819767e+00 2.86 -4.951780767e+00 -4.951780767e+00 2.88 -4.872719423e+00 -4.872719423e+00 2.90 -4.787127829e+00 -4.787127829e+00 2.92 -4.695600431e+00 -4.695600431e+00 2.94 -4.598825623e+00 -4.598825623e+00 2.96 -4.497589370e+00 -4.497589370e+00 2.98 -4.392753240e+00 -4.392753240e+00 3.00 -4.285181232e+00 -4.285181232e+00 3.02 -4.175699118e+00 -4.175699118e+00 3.04 -4.065058601e+00 -4.065058601e+00 3.06 -3.953907454e+00 -3.953907454e+00 3.08 -3.842768842e+00 -3.842768842e+00 3.10 -3.732031488e+00 -3.732031488e+00 3.12 -3.621950703e+00 -3.621950703e+00 3.14 -3.512658952e+00 -3.512658952e+00 3.16 -3.404183701e+00 -3.404183701e+00 3.18 -3.296469964e+00 -3.296469964e+00 3.20 -3.189405169e+00 -3.189405169e+00 3.22 -3.082844386e+00 -3.082844386e+00 3.24 -2.976634601e+00 -2.976634601e+00 3.26 -2.870637176e+00 -2.870637176e+00 3.28 -2.764747961e+00 -2.764747961e+00 3.30 -2.658914647e+00 -2.658914647e+00 3.32 -2.553150870e+00 -2.553150870e+00 3.34 -2.447546442e+00 -2.447546442e+00 3.36 -2.342272979e+00 -2.342272979e+00 3.38 -2.237584171e+00 -2.237584171e+00 3.40 -2.133810155e+00 -2.133810155e+00 3.42 -2.031345833e+00 -2.031345833e+00 3.44 -1.930633609e+00 -1.930633609e+00 3.46 -1.832141666e+00 -1.832141666e+00 3.48 -1.736339569e+00 -1.736339569e+00 3.50 -1.643673405e+00 -1.643673405e+00 3.52 -1.554542786e+00 -1.554542786e+00 3.54 -1.469281809e+00 -1.469281809e+00 3.56 -1.388145493e+00 -1.388145493e+00 3.58 -1.311302480e+00 -1.311302480e+00 3.60 -1.238833983e+00 -1.238833983e+00 3.62 -1.170738276e+00 -1.170738276e+00 3.64 -1.106939554e+00 -1.106939554e+00 3.66 -1.047299756e+00 -1.047299756e+00 3.68 -9.916319376e-01 -9.916319376e-01 3.70 -9.397139530e-01 -9.397139530e-01 3.72 -8.913014681e-01 -8.913014681e-01 3.74 -8.461396194e-01 -8.461396194e-01 3.76 -8.039728981e-01 -8.039728981e-01 3.78 -7.645530601e-01 -7.645530601e-01 3.80 -7.276450151e-01 -7.276450151e-01 3.82 -6.930307590e-01 -6.930307590e-01 3.84 -6.605114920e-01 -6.605114920e-01 3.86 -6.299081370e-01 -6.299081370e-01 3.88 -6.010605442e-01 -6.010605442e-01 3.90 -5.738257412e-01 -5.738257412e-01 3.92 -5.480756397e-01 -5.480756397e-01 3.94 -5.236946191e-01 -5.236946191e-01 3.96 -5.005773513e-01 -5.005773513e-01 3.98 -4.786271268e-01 -4.786271268e-01 4.00 -4.577547810e-01 -4.577547810e-01 4.02 -4.378781809e-01 -4.378781809e-01 4.04 -4.189220896e-01 -4.189220896e-01 4.06 -4.008182112e-01 -4.008182112e-01 4.08 -3.835051730e-01 -3.835051730e-01 4.10 -3.669282538e-01 -3.669282538e-01 4.12 -3.510387681e-01 -3.510387681e-01 4.14 -3.357931152e-01 -3.357931152e-01 4.16 -3.211515193e-01 -3.211515193e-01 4.18 -3.070771201e-01 -3.070771201e-01 4.20 -2.935345708e-01 -2.935345708e-01 4.22 -2.804891202e-01 -2.804891202e-01 4.24 -2.679061428e-01 -2.679061428e-01 4.26 -2.557511058e-01 -2.557511058e-01 4.28 -2.439899624e-01 -2.439899624e-01 4.30 -2.325899075e-01 -2.325899075e-01 4.32 -2.215203753e-01 -2.215203753e-01 4.34 -2.107540772e-01 -2.107540772e-01 4.36 -2.002679732e-01 -2.002679732e-01 4.38 -1.900446776e-01 -1.900446776e-01 4.40 -1.800725401e-01 -1.800725401e-01 4.42 -1.703457716e-01 -1.703457716e-01 4.44 -1.608641568e-01 -1.608641568e-01 4.46 -1.516322899e-01 -1.516322899e-01 4.48 -1.426584019e-01 -1.426584019e-01 4.50 -1.339529086e-01 -1.339529086e-01 4.52 -1.255268556e-01 -1.255268556e-01 4.54 -1.173904599e-01 -1.173904599e-01 4.56 -1.095519342e-01 -1.095519342e-01 4.58 -1.020167343e-01 -1.020167343e-01 4.60 -9.478730014e-02 -9.478730014e-02 4.62 -8.786327360e-02 -8.786327360e-02 4.64 -8.124210656e-02 -8.124210656e-02 4.66 -7.491991388e-02 -7.491991388e-02 4.68 -6.889240294e-02 -6.889240294e-02 4.70 -6.315571576e-02 -6.315571576e-02 4.72 -5.770705002e-02 -5.770705002e-02 4.74 -5.254497333e-02 -5.254497333e-02 4.76 -4.766939818e-02 -4.766939818e-02 4.78 -4.308125192e-02 -4.308125192e-02 4.80 -3.878189815e-02 -3.878189815e-02 4.82 -3.477241164e-02 -3.477241164e-02 4.84 -3.105282875e-02 -3.105282875e-02 4.86 -2.762146189e-02 -2.762146189e-02 4.88 -2.447439498e-02 -2.447439498e-02 4.90 -2.160518967e-02 -2.160518967e-02 4.92 -1.900481385e-02 -1.900481385e-02 4.94 -1.666173245e-02 -1.666173245e-02 4.96 -1.456190983e-02 -1.456190983e-02 4.98 -1.269026311e-02 -1.269026311e-02 5.00 -1.103054579e-02 -1.103054579e-02 5.02 -9.565714240e-03 -9.565714240e-03 5.04 -8.278456010e-03 -8.278456010e-03 5.06 -7.151646275e-03 -7.151646275e-03 5.08 -6.168717757e-03 -6.168717757e-03 5.10 -5.313940629e-03 -5.313940629e-03 5.12 -4.572616927e-03 -4.572616927e-03 5.14 -3.931199190e-03 -3.931199190e-03 5.16 -3.377345766e-03 -3.377345766e-03 5.18 -2.899925890e-03 -2.899925890e-03 5.20 -2.488987114e-03 -2.488987114e-03 5.22 -2.135696184e-03 -2.135696184e-03 5.24 -1.832262775e-03 -1.832262775e-03 5.26 -1.571853542e-03 -1.571853542e-03 5.28 -1.348502285e-03 -1.348502285e-03 5.30 -1.157020412e-03 -1.157020412e-03 5.32 -9.929106634e-04 -9.929106634e-04 5.34 -8.522859963e-04 -8.522859963e-04 5.36 -7.317947443e-04 -7.317947443e-04 5.38 -6.285525914e-04 -6.285525914e-04 5.40 -5.400814622e-04 -5.400814622e-04 5.42 -4.642551525e-04 -4.642551525e-04 5.44 -3.992513338e-04 -3.992513338e-04 5.46 -3.435094576e-04 -3.435094576e-04 5.48 -2.956940299e-04 -2.956940299e-04 5.50 -2.546627141e-04 -2.546627141e-04 5.52 -2.194387269e-04 -2.194387269e-04 5.54 -1.891870235e-04 -1.891870235e-04 5.56 -1.631938032e-04 -1.631938032e-04 5.58 -1.408489087e-04 -1.408489087e-04 5.60 -1.216307362e-04 -1.216307362e-04 5.62 -1.050933166e-04 -1.050933166e-04 5.64 -9.085526695e-05 -9.085526695e-05 5.66 -7.859035006e-05 -7.859035006e-05 5.68 -6.801941312e-05 -6.801941312e-05 5.70 -5.890350794e-05 -5.890350794e-05 5.72 -5.103802126e-05 -5.103802126e-05 5.74 -4.424766797e-05 -4.424766797e-05 5.76 -3.838222102e-05 -3.838222102e-05 5.78 -3.331286953e-05 -3.331286953e-05 5.80 -2.892911256e-05 -2.892911256e-05 5.82 -2.513610937e-05 -2.513610937e-05 5.84 -2.185241863e-05 -2.185241863e-05 5.86 -1.900806896e-05 -1.900806896e-05 5.88 -1.654291184e-05 -1.654291184e-05 5.90 -1.440521497e-05 -1.440521497e-05 5.92 -1.255046061e-05 -1.255046061e-05 5.94 -1.094031863e-05 -1.094031863e-05 5.96 -9.541768419e-06 -9.541768419e-06 5.98 -8.326347769e-06 -8.326347769e-06 6.00 -7.269510147e-06 -7.269510147e-06