# 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 = AuMoW2 # 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 4.307039296e+02 4.307039296e+02 1.30 3.985635527e+02 3.985635527e+02 1.32 3.688593426e+02 3.688593426e+02 1.34 3.413879252e+02 3.413879252e+02 1.36 3.159652620e+02 3.159652620e+02 1.38 2.924243797e+02 2.924243797e+02 1.40 2.706137283e+02 2.706137283e+02 1.42 2.503955382e+02 2.503955382e+02 1.44 2.316441250e+02 2.316441250e+02 1.46 2.142445183e+02 2.142445183e+02 1.48 1.980917333e+02 1.980917333e+02 1.50 1.830905857e+02 1.830905857e+02 1.52 1.691555623e+02 1.691555623e+02 1.54 1.562102630e+02 1.562102630e+02 1.56 1.441862653e+02 1.441862653e+02 1.58 1.330215755e+02 1.330215755e+02 1.60 1.226589663e+02 1.226589663e+02 1.62 1.130444941e+02 1.130444941e+02 1.64 1.041264288e+02 1.041264288e+02 1.66 9.585473520e+01 9.585473520e+01 1.68 8.818112003e+01 8.818112003e+01 1.70 8.105949068e+01 8.105949068e+01 1.72 7.444656318e+01 7.444656318e+01 1.74 6.830237855e+01 6.830237855e+01 1.76 6.259060674e+01 6.259060674e+01 1.78 5.727861888e+01 5.727861888e+01 1.80 5.233735079e+01 5.233735079e+01 1.82 4.774099599e+01 4.774099599e+01 1.84 4.346657355e+01 4.346657355e+01 1.86 3.949341578e+01 3.949341578e+01 1.88 3.580265029e+01 3.580265029e+01 1.90 3.237763706e+01 3.237763706e+01 1.92 2.920210177e+01 2.920210177e+01 1.94 2.626643712e+01 2.626643712e+01 1.96 2.356215772e+01 2.356215772e+01 1.98 2.107219925e+01 2.107219925e+01 2.00 1.878031002e+01 1.878031002e+01 2.02 1.667113344e+01 1.667113344e+01 2.04 1.473015553e+01 1.473015553e+01 2.06 1.294362939e+01 1.294362939e+01 2.08 1.129850998e+01 1.129850998e+01 2.10 9.782438988e+00 9.782438988e+00 2.12 8.383802480e+00 8.383802480e+00 2.14 7.091850281e+00 7.091850281e+00 2.16 5.896835381e+00 5.896835381e+00 2.18 4.790119890e+00 4.790119890e+00 2.20 3.764206350e+00 3.764206350e+00 2.22 2.812681077e+00 2.812681077e+00 2.24 1.930084527e+00 1.930084527e+00 2.26 1.111740437e+00 1.111740437e+00 2.28 3.535777434e-01 3.535777434e-01 2.30 -3.480288407e-01 -3.480288407e-01 2.32 -9.963856863e-01 -9.963856863e-01 2.34 -1.594571262e+00 -1.594571262e+00 2.36 -2.145495089e+00 -2.145495089e+00 2.38 -2.651931593e+00 -2.651931593e+00 2.40 -3.116536295e+00 -3.116536295e+00 2.42 -3.541850665e+00 -3.541850665e+00 2.44 -3.930300427e+00 -3.930300427e+00 2.46 -4.284190601e+00 -4.284190601e+00 2.48 -4.605699473e+00 -4.605699473e+00 2.50 -4.896873064e+00 -4.896873064e+00 2.52 -5.159621448e+00 -5.159621448e+00 2.54 -5.395616802e+00 -5.395616802e+00 2.56 -5.606451558e+00 -5.606451558e+00 2.58 -5.793805252e+00 -5.793805252e+00 2.60 -5.959216334e+00 -5.959216334e+00 2.62 -6.104091588e+00 -6.104091588e+00 2.64 -6.229717752e+00 -6.229717752e+00 2.66 -6.337274161e+00 -6.337274161e+00 2.68 -6.427847459e+00 -6.427847459e+00 2.70 -6.502295453e+00 -6.502295453e+00 2.72 -6.560925585e+00 -6.560925585e+00 2.74 -6.603999730e+00 -6.603999730e+00 2.76 -6.631745771e+00 -6.631745771e+00 2.78 -6.644608382e+00 -6.644608382e+00 2.80 -6.643148956e+00 -6.643148956e+00 2.82 -6.627947545e+00 -6.627947545e+00 2.84 -6.599599438e+00 -6.599599438e+00 2.86 -6.558717184e+00 -6.558717184e+00 2.88 -6.505938037e+00 -6.505938037e+00 2.90 -6.441935454e+00 -6.441935454e+00 2.92 -6.367406159e+00 -6.367406159e+00 2.94 -6.282952641e+00 -6.282952641e+00 2.96 -6.189230984e+00 -6.189230984e+00 2.98 -6.087078593e+00 -6.087078593e+00 3.00 -5.977192535e+00 -5.977192535e+00 3.02 -5.860301296e+00 -5.860301296e+00 3.04 -5.737178242e+00 -5.737178242e+00 3.06 -5.608596138e+00 -5.608596138e+00 3.08 -5.475282564e+00 -5.475282564e+00 3.10 -5.337872986e+00 -5.337872986e+00 3.12 -5.196880563e+00 -5.196880563e+00 3.14 -5.052698363e+00 -5.052698363e+00 3.16 -4.905599979e+00 -4.905599979e+00 3.18 -4.755750970e+00 -4.755750970e+00 3.20 -4.603230238e+00 -4.603230238e+00 3.22 -4.448058328e+00 -4.448058328e+00 3.24 -4.290229728e+00 -4.290229728e+00 3.26 -4.129746764e+00 -4.129746764e+00 3.28 -3.966653168e+00 -3.966653168e+00 3.30 -3.801065739e+00 -3.801065739e+00 3.32 -3.633202578e+00 -3.633202578e+00 3.34 -3.463406267e+00 -3.463406267e+00 3.36 -3.292160134e+00 -3.292160134e+00 3.38 -3.120095681e+00 -3.120095681e+00 3.40 -2.947989431e+00 -2.947989431e+00 3.42 -2.776748030e+00 -2.776748030e+00 3.44 -2.607381442e+00 -2.607381442e+00 3.46 -2.440965400e+00 -2.440965400e+00 3.48 -2.278595724e+00 -2.278595724e+00 3.50 -2.121338340e+00 -2.121338340e+00 3.52 -1.970179662e+00 -1.970179662e+00 3.54 -1.825982064e+00 -1.825982064e+00 3.56 -1.689448547e+00 -1.689448547e+00 3.58 -1.561099438e+00 -1.561099438e+00 3.60 -1.441262335e+00 -1.441262335e+00 3.62 -1.330074867e+00 -1.330074867e+00 3.64 -1.227498450e+00 -1.227498450e+00 3.66 -1.133340307e+00 -1.133340307e+00 3.68 -1.047280640e+00 -1.047280640e+00 3.70 -9.689019502e-01 -9.689019502e-01 3.72 -8.977179384e-01 -8.977179384e-01 3.74 -8.332000859e-01 -8.332000859e-01 3.76 -7.748006791e-01 -7.748006791e-01 3.78 -7.219716865e-01 -7.219716865e-01 3.80 -6.741793891e-01 -6.741793891e-01 3.82 -6.309150250e-01 -6.309150250e-01 3.84 -5.917019265e-01 -5.917019265e-01 3.86 -5.560997319e-01 -5.560997319e-01 3.88 -5.237062736e-01 -5.237062736e-01 3.90 -4.941577075e-01 -4.941577075e-01 3.92 -4.671273785e-01 -4.671273785e-01 3.94 -4.423238424e-01 -4.423238424e-01 3.96 -4.194883674e-01 -4.194883674e-01 3.98 -3.983921826e-01 -3.983921826e-01 4.00 -3.788336560e-01 -3.788336560e-01 4.02 -3.606355413e-01 -3.606355413e-01 4.04 -3.436423826e-01 -3.436423826e-01 4.06 -3.277181401e-01 -3.277181401e-01 4.08 -3.127440638e-01 -3.127440638e-01 4.10 -2.986167382e-01 -2.986167382e-01 4.12 -2.852464923e-01 -2.852464923e-01 4.14 -2.725564474e-01 -2.725564474e-01 4.16 -2.604809028e-01 -2.604809028e-01 4.18 -2.489643426e-01 -2.489643426e-01 4.20 -2.379605625e-01 -2.379605625e-01 4.22 -2.274318302e-01 -2.274318302e-01 4.24 -2.173480253e-01 -2.173480253e-01 4.26 -2.076857125e-01 -2.076857125e-01 4.28 -1.984271158e-01 -1.984271158e-01 4.30 -1.895589831e-01 -1.895589831e-01 4.32 -1.810713644e-01 -1.810713644e-01 4.34 -1.729563612e-01 -1.729563612e-01 4.36 -1.652069059e-01 -1.652069059e-01 4.38 -1.578156727e-01 -1.578156727e-01 4.40 -1.507741864e-01 -1.507741864e-01 4.42 -1.440721990e-01 -1.440721990e-01 4.44 -1.376973585e-01 -1.376973585e-01 4.46 -1.316351447e-01 -1.316351447e-01 4.48 -1.258689569e-01 -1.258689569e-01 4.50 -1.203804206e-01 -1.203804206e-01 4.52 -1.151503384e-01 -1.151503384e-01 4.54 -1.101587140e-01 -1.101587140e-01 4.56 -1.053852177e-01 -1.053852177e-01 4.58 -1.008096416e-01 -1.008096416e-01 4.60 -9.641228073e-02 -9.641228073e-02 4.62 -9.217423601e-02 -9.217423601e-02 4.64 -8.807764966e-02 -8.807764966e-02 4.66 -8.410588516e-02 -8.410588516e-02 4.68 -8.024366921e-02 -8.024366921e-02 4.70 -7.647721141e-02 -7.647721141e-02 4.72 -7.279431533e-02 -7.279431533e-02 4.74 -6.918449050e-02 -6.918449050e-02 4.76 -6.563907042e-02 -6.563907042e-02 4.78 -6.215133595e-02 -6.215133595e-02 4.80 -5.871663773e-02 -5.871663773e-02 4.82 -5.533250908e-02 -5.533250908e-02 4.84 -5.199874534e-02 -5.199874534e-02 4.86 -4.871744040e-02 -4.871744040e-02 4.88 -4.549295079e-02 -4.549295079e-02 4.90 -4.233177093e-02 -4.233177093e-02 4.92 -3.924230345e-02 -3.924230345e-02 4.94 -3.623451808e-02 -3.623451808e-02 4.96 -3.331950386e-02 -3.331950386e-02 4.98 -3.050893127e-02 -3.050893127e-02 5.00 -2.781445699e-02 -2.781445699e-02 5.02 -2.524711178e-02 -2.524711178e-02 5.04 -2.281671790e-02 -2.281671790e-02 5.06 -2.053138264e-02 -2.053138264e-02 5.08 -1.839710699e-02 -1.839710699e-02 5.10 -1.641733521e-02 -1.641733521e-02 5.12 -1.459316322e-02 -1.459316322e-02 5.14 -1.292357203e-02 -1.292357203e-02 5.16 -1.140525681e-02 -1.140525681e-02 5.18 -1.003291913e-02 -1.003291913e-02 5.20 -8.799625005e-03 -8.799625005e-03 5.22 -7.697192743e-03 -7.697192743e-03 5.24 -6.716579622e-03 -6.716579622e-03 5.26 -5.848242995e-03 -5.848242995e-03 5.28 -5.082458989e-03 -5.082458989e-03 5.30 -4.409589238e-03 -4.409589238e-03 5.32 -3.820292363e-03 -3.820292363e-03 5.34 -3.305681716e-03 -3.305681716e-03 5.36 -2.857434206e-03 -2.857434206e-03 5.38 -2.467856896e-03 -2.467856896e-03 5.40 -2.129918873e-03 -2.129918873e-03 5.42 -1.837255797e-03 -1.837255797e-03 5.44 -1.584154014e-03 -1.584154014e-03 5.46 -1.365520192e-03 -1.365520192e-03 5.48 -1.176841455e-03 -1.176841455e-03 5.50 -1.014140009e-03 -1.014140009e-03 5.52 -8.739253133e-04 -8.739253133e-04 5.54 -7.531460632e-04 -7.531460632e-04 5.56 -6.491435912e-04 -6.491435912e-04 5.58 -5.596077459e-04 -5.596077459e-04 5.60 -4.825359049e-04 -4.825359049e-04 5.62 -4.161954581e-04 -4.161954581e-04 5.64 -3.590898741e-04 -3.590898741e-04 5.66 -3.099283006e-04 -3.099283006e-04 5.68 -2.675985451e-04 -2.675985451e-04 5.70 -2.311432177e-04 -2.311432177e-04 5.72 -1.997387779e-04 -1.997387779e-04 5.74 -1.726772153e-04 -1.726772153e-04 5.76 -1.493500949e-04 -1.493500949e-04 5.78 -1.292347028e-04 -1.292347028e-04 5.80 -1.118820508e-04 -1.118820508e-04 5.82 -9.690651007e-05 -9.690651007e-05 5.84 -8.397687081e-05 -8.397687081e-05 5.86 -7.280864307e-05 -7.280864307e-05 5.88 -6.315743390e-05 -6.315743390e-05 5.90 -5.481325651e-05 -5.481325651e-05 5.92 -4.759564416e-05 -4.759564416e-05 5.94 -4.134945724e-05 -4.134945724e-05 5.96 -3.594128719e-05 -3.594128719e-05 5.98 -3.125637317e-05 -3.125637317e-05 6.00 -2.719595904e-05 -2.719595904e-05