# 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 = Pd2TaW # 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 4.282306575e+02 4.282306575e+02 1.30 3.975196582e+02 3.975196582e+02 1.32 3.690619673e+02 3.690619673e+02 1.34 3.426802484e+02 3.426802484e+02 1.36 3.182123805e+02 3.182123805e+02 1.38 2.955098338e+02 2.955098338e+02 1.40 2.744361550e+02 2.744361550e+02 1.42 2.548651080e+02 2.548651080e+02 1.44 2.366793226e+02 2.366793226e+02 1.46 2.197699871e+02 2.197699871e+02 1.48 2.040370530e+02 2.040370530e+02 1.50 1.893893197e+02 1.893893197e+02 1.52 1.757441788e+02 1.757441788e+02 1.54 1.630269471e+02 1.630269471e+02 1.56 1.511697720e+02 1.511697720e+02 1.58 1.401103559e+02 1.401103559e+02 1.60 1.297909291e+02 1.297909291e+02 1.62 1.201577385e+02 1.201577385e+02 1.64 1.111609524e+02 1.111609524e+02 1.66 1.027546756e+02 1.027546756e+02 1.68 9.489684499e+01 9.489684499e+01 1.70 8.754896914e+01 8.754896914e+01 1.72 8.067580031e+01 8.067580031e+01 1.74 7.424507063e+01 7.424507063e+01 1.76 6.822736936e+01 6.822736936e+01 1.78 6.259609366e+01 6.259609366e+01 1.80 5.732729996e+01 5.732729996e+01 1.82 5.239932743e+01 5.239932743e+01 1.84 4.779450543e+01 4.779450543e+01 1.86 4.349738316e+01 4.349738316e+01 1.88 3.948911402e+01 3.948911402e+01 1.90 3.575392388e+01 3.575392388e+01 1.92 3.229939298e+01 3.229939298e+01 1.94 2.911119444e+01 2.911119444e+01 1.96 2.616955543e+01 2.616955543e+01 1.98 2.345648107e+01 2.345648107e+01 2.00 2.095556806e+01 2.095556806e+01 2.02 1.865165257e+01 1.865165257e+01 2.04 1.653045528e+01 1.653045528e+01 2.06 1.457833863e+01 1.457833863e+01 2.08 1.278221341e+01 1.278221341e+01 2.10 1.112957131e+01 1.112957131e+01 2.12 9.608593487e+00 9.608593487e+00 2.14 8.208283283e+00 8.208283283e+00 2.16 6.918579736e+00 6.918579736e+00 2.18 5.730421484e+00 5.730421484e+00 2.20 4.635746201e+00 4.635746201e+00 2.22 3.627427244e+00 3.627427244e+00 2.24 2.699162376e+00 2.699162376e+00 2.26 1.845336273e+00 1.845336273e+00 2.28 1.060878718e+00 1.060878718e+00 2.30 3.411361515e-01 3.411361515e-01 2.32 -3.182318289e-01 -3.182318289e-01 2.34 -9.213256126e-01 -9.213256126e-01 2.36 -1.472048674e+00 -1.472048674e+00 2.38 -1.974125780e+00 -1.974125780e+00 2.40 -2.431104822e+00 -2.431104822e+00 2.42 -2.846351622e+00 -2.846351622e+00 2.44 -3.223044295e+00 -3.223044295e+00 2.46 -3.564098547e+00 -3.564098547e+00 2.48 -3.872325376e+00 -3.872325376e+00 2.50 -4.150328497e+00 -4.150328497e+00 2.52 -4.400528786e+00 -4.400528786e+00 2.54 -4.625277820e+00 -4.625277820e+00 2.56 -4.826630783e+00 -4.826630783e+00 2.58 -5.006357378e+00 -5.006357378e+00 2.60 -5.165973362e+00 -5.165973362e+00 2.62 -5.306706310e+00 -5.306706310e+00 2.64 -5.429400782e+00 -5.429400782e+00 2.66 -5.534599017e+00 -5.534599017e+00 2.68 -5.622804800e+00 -5.622804800e+00 2.70 -5.694571240e+00 -5.694571240e+00 2.72 -5.750488686e+00 -5.750488686e+00 2.74 -5.791173769e+00 -5.791173769e+00 2.76 -5.817260233e+00 -5.817260233e+00 2.78 -5.829392412e+00 -5.829392412e+00 2.80 -5.828222203e+00 -5.828222203e+00 2.82 -5.814410126e+00 -5.814410126e+00 2.84 -5.788630450e+00 -5.788630450e+00 2.86 -5.751579437e+00 -5.751579437e+00 2.88 -5.703984776e+00 -5.703984776e+00 2.90 -5.646613501e+00 -5.646613501e+00 2.92 -5.580275459e+00 -5.580275459e+00 2.94 -5.505881421e+00 -5.505881421e+00 2.96 -5.424897848e+00 -5.424897848e+00 2.98 -5.338090444e+00 -5.338090444e+00 3.00 -5.246046220e+00 -5.246046220e+00 3.02 -5.149370512e+00 -5.149370512e+00 3.04 -5.048656028e+00 -5.048656028e+00 3.06 -4.944455591e+00 -4.944455591e+00 3.08 -4.837260970e+00 -4.837260970e+00 3.10 -4.727489730e+00 -4.727489730e+00 3.12 -4.615507445e+00 -4.615507445e+00 3.14 -4.501674343e+00 -4.501674343e+00 3.16 -4.386282467e+00 -4.386282467e+00 3.18 -4.269560976e+00 -4.269560976e+00 3.20 -4.151698123e+00 -4.151698123e+00 3.22 -4.032863354e+00 -4.032863354e+00 3.24 -3.913227422e+00 -3.913227422e+00 3.26 -3.792978756e+00 -3.792978756e+00 3.28 -3.672334857e+00 -3.672334857e+00 3.30 -3.551548120e+00 -3.551548120e+00 3.32 -3.430906087e+00 -3.430906087e+00 3.34 -3.310726775e+00 -3.310726775e+00 3.36 -3.191350186e+00 -3.191350186e+00 3.38 -3.073127382e+00 -3.073127382e+00 3.40 -2.956408526e+00 -2.956408526e+00 3.42 -2.841531079e+00 -2.841531079e+00 3.44 -2.728809039e+00 -2.728809039e+00 3.46 -2.618523717e+00 -2.618523717e+00 3.48 -2.510916328e+00 -2.510916328e+00 3.50 -2.406182485e+00 -2.406182485e+00 3.52 -2.304468727e+00 -2.304468727e+00 3.54 -2.205871158e+00 -2.205871158e+00 3.56 -2.110436351e+00 -2.110436351e+00 3.58 -2.018164553e+00 -2.018164553e+00 3.60 -1.929015134e+00 -1.929015134e+00 3.62 -1.842914007e+00 -1.842914007e+00 3.64 -1.759762570e+00 -1.759762570e+00 3.66 -1.679447555e+00 -1.679447555e+00 3.68 -1.601851061e+00 -1.601851061e+00 3.70 -1.526860026e+00 -1.526860026e+00 3.72 -1.454374414e+00 -1.454374414e+00 3.74 -1.384313509e+00 -1.384313509e+00 3.76 -1.316619849e+00 -1.316619849e+00 3.78 -1.251260546e+00 -1.251260546e+00 3.80 -1.188225971e+00 -1.188225971e+00 3.82 -1.127526044e+00 -1.127526044e+00 3.84 -1.069184608e+00 -1.069184608e+00 3.86 -1.013232583e+00 -1.013232583e+00 3.88 -9.597006863e-01 -9.597006863e-01 3.90 -9.086125650e-01 -9.086125650e-01 3.92 -8.599790503e-01 -8.599790503e-01 3.94 -8.137940834e-01 -8.137940834e-01 3.96 -7.700325893e-01 -7.700325893e-01 3.98 -7.286503185e-01 -7.286503185e-01 4.00 -6.895854174e-01 -6.895854174e-01 4.02 -6.527613052e-01 -6.527613052e-01 4.04 -6.180903254e-01 -6.180903254e-01 4.06 -5.854776128e-01 -5.854776128e-01 4.08 -5.548246720e-01 -5.548246720e-01 4.10 -5.260322788e-01 -5.260322788e-01 4.12 -4.990024823e-01 -4.990024823e-01 4.14 -4.736396413e-01 -4.736396413e-01 4.16 -4.498506272e-01 -4.498506272e-01 4.18 -4.275444124e-01 -4.275444124e-01 4.20 -4.066313502e-01 -4.066313502e-01 4.22 -3.870224383e-01 -3.870224383e-01 4.24 -3.686287990e-01 -3.686287990e-01 4.26 -3.513615104e-01 -3.513615104e-01 4.28 -3.351318167e-01 -3.351318167e-01 4.30 -3.198516663e-01 -3.198516663e-01 4.32 -3.054344393e-01 -3.054344393e-01 4.34 -2.917957965e-01 -2.917957965e-01 4.36 -2.788544988e-01 -2.788544988e-01 4.38 -2.665331126e-01 -2.665331126e-01 4.40 -2.547585423e-01 -2.547585423e-01 4.42 -2.434624452e-01 -2.434624452e-01 4.44 -2.325813119e-01 -2.325813119e-01 4.46 -2.220571020e-01 -2.220571020e-01 4.48 -2.118373313e-01 -2.118373313e-01 4.50 -2.018749621e-01 -2.018749621e-01 4.52 -1.921286454e-01 -1.921286454e-01 4.54 -1.825630050e-01 -1.825630050e-01 4.56 -1.731489773e-01 -1.731489773e-01 4.58 -1.638642025e-01 -1.638642025e-01 4.60 -1.546934375e-01 -1.546934375e-01 4.62 -1.456289426e-01 -1.456289426e-01 4.64 -1.366707701e-01 -1.366707701e-01 4.66 -1.278268755e-01 -1.278268755e-01 4.68 -1.191129608e-01 -1.191129608e-01 4.70 -1.105519743e-01 -1.105519743e-01 4.72 -1.021732099e-01 -1.021732099e-01 4.74 -9.401098912e-02 -9.401098912e-02 4.76 -8.610296066e-02 -8.610296066e-02 4.78 -7.848810513e-02 -7.848810513e-02 4.80 -7.120458344e-02 -7.120458344e-02 4.82 -6.428760413e-02 -6.428760413e-02 4.84 -5.776748690e-02 -5.776748690e-02 4.86 -5.166809618e-02 -5.166809618e-02 4.88 -4.600576113e-02 -4.600576113e-02 4.90 -4.078874172e-02 -4.078874172e-02 4.92 -3.601725391e-02 -3.601725391e-02 4.94 -3.168397791e-02 -3.168397791e-02 4.96 -2.777495427e-02 -2.777495427e-02 4.98 -2.427072477e-02 -2.427072477e-02 5.00 -2.114760482e-02 -2.114760482e-02 5.02 -1.837897046e-02 -1.837897046e-02 5.04 -1.593617478e-02 -1.593617478e-02 5.06 -1.379008779e-02 -1.379008779e-02 5.08 -1.191222851e-02 -1.191222851e-02 5.10 -1.027486483e-02 -1.027486483e-02 5.12 -8.851586094e-03 -8.851586094e-03 5.14 -7.617691720e-03 -7.617691720e-03 5.16 -6.550422737e-03 -6.550422737e-03 5.18 -5.629068101e-03 -5.629068101e-03 5.20 -4.834975616e-03 -4.834975616e-03 5.22 -4.151493815e-03 -4.151493815e-03 5.24 -3.563866909e-03 -3.563866909e-03 5.26 -3.059100469e-03 -3.059100469e-03 5.28 -2.625811514e-03 -2.625811514e-03 5.30 -2.254073105e-03 -2.254073105e-03 5.32 -1.935260638e-03 -1.935260638e-03 5.34 -1.661904686e-03 -1.661904686e-03 5.36 -1.427553406e-03 -1.427553406e-03 5.38 -1.226646216e-03 -1.226646216e-03 5.40 -1.054399425e-03 -1.054399425e-03 5.42 -9.067038569e-04 -9.067038569e-04 5.44 -7.800340218e-04 -7.800340218e-04 5.46 -6.713681342e-04 -6.713681342e-04 5.48 -5.781181000e-04 -5.781181000e-04 5.50 -4.980685360e-04 -4.980685360e-04 5.52 -4.293238746e-04 -4.293238746e-04 5.54 -3.702626358e-04 -3.702626358e-04 5.56 -3.194980076e-04 -3.194980076e-04 5.58 -2.758439410e-04 -2.758439410e-04 5.60 -2.382860447e-04 -2.382860447e-04 5.62 -2.059566377e-04 -2.059566377e-04 5.64 -1.781133932e-04 -1.781133932e-04 5.66 -1.541210736e-04 -1.541210736e-04 5.68 -1.334359219e-04 -1.334359219e-04 5.70 -1.155923311e-04 -1.155923311e-04 5.72 -1.001914632e-04 -1.001914632e-04 5.74 -8.689153600e-05 -8.689153600e-05 5.76 -7.539953454e-05 -7.539953454e-05 5.78 -6.546413816e-05 -6.546413816e-05 5.80 -5.686968548e-05 -5.686968548e-05 5.82 -4.943102390e-05 -4.943102390e-05 5.84 -4.298911342e-05 -4.298911342e-05 5.86 -3.740727342e-05 -3.740727342e-05 5.88 -3.256797744e-05 -3.256797744e-05 5.90 -2.837011511e-05 -2.837011511e-05 5.92 -2.472665229e-05 -2.472665229e-05 5.94 -2.156263067e-05 -2.156263067e-05 5.96 -1.881345701e-05 -1.881345701e-05 5.98 -1.642343925e-05 -1.642343925e-05 6.00 -1.434453348e-05 -1.434453348e-05