# 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 = AuFe2W # 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 3.050382808e+02 3.050382808e+02 1.30 2.800205208e+02 2.800205208e+02 1.32 2.569994667e+02 2.569994667e+02 1.34 2.358153431e+02 2.358153431e+02 1.36 2.163242054e+02 2.163242054e+02 1.38 1.983929940e+02 1.983929940e+02 1.40 1.818963536e+02 1.818963536e+02 1.42 1.667160181e+02 1.667160181e+02 1.44 1.527419390e+02 1.527419390e+02 1.46 1.398735866e+02 1.398735866e+02 1.48 1.280203785e+02 1.280203785e+02 1.50 1.171010445e+02 1.171010445e+02 1.52 1.070422224e+02 1.070422224e+02 1.54 9.777680373e+01 9.777680373e+01 1.56 8.924256258e+01 8.924256258e+01 1.58 8.138136167e+01 8.138136167e+01 1.60 7.413889155e+01 7.413889155e+01 1.62 6.746471565e+01 6.746471565e+01 1.64 6.131240964e+01 6.131240964e+01 1.66 5.563968797e+01 5.563968797e+01 1.68 5.040845748e+01 5.040845748e+01 1.70 4.558470008e+01 4.558470008e+01 1.72 4.113806494e+01 4.113806494e+01 1.74 3.704166771e+01 3.704166771e+01 1.76 3.327094479e+01 3.327094479e+01 1.78 2.981349155e+01 2.981349155e+01 1.80 2.664968455e+01 2.664968455e+01 1.82 2.375440783e+01 2.375440783e+01 1.84 2.110427583e+01 2.110427583e+01 1.86 1.867790801e+01 1.867790801e+01 1.88 1.645617638e+01 1.645617638e+01 1.90 1.442214585e+01 1.442214585e+01 1.92 1.256076553e+01 1.256076553e+01 1.94 1.085845772e+01 1.085845772e+01 1.96 9.302744091e+00 9.302744091e+00 1.98 7.881987130e+00 7.881987130e+00 2.00 6.585257136e+00 6.585257136e+00 2.02 5.402291427e+00 5.402291427e+00 2.04 4.323498221e+00 4.323498221e+00 2.06 3.339964742e+00 3.339964742e+00 2.08 2.443448936e+00 2.443448936e+00 2.10 1.626355518e+00 1.626355518e+00 2.12 8.817090793e-01 8.817090793e-01 2.14 2.031356053e-01 2.031356053e-01 2.16 -4.151463641e-01 -4.151463641e-01 2.18 -9.783335809e-01 -9.783335809e-01 2.20 -1.491056809e+00 -1.491056809e+00 2.22 -1.957417955e+00 -1.957417955e+00 2.24 -2.381045340e+00 -2.381045340e+00 2.26 -2.765107518e+00 -2.765107518e+00 2.28 -3.112429651e+00 -3.112429651e+00 2.30 -3.425788839e+00 -3.425788839e+00 2.32 -3.707699666e+00 -3.707699666e+00 2.34 -3.960454137e+00 -3.960454137e+00 2.36 -4.186163011e+00 -4.186163011e+00 2.38 -4.386781384e+00 -4.386781384e+00 2.40 -4.563921265e+00 -4.563921265e+00 2.42 -4.718840112e+00 -4.718840112e+00 2.44 -4.852808258e+00 -4.852808258e+00 2.46 -4.967116138e+00 -4.967116138e+00 2.48 -5.063056810e+00 -5.063056810e+00 2.50 -5.141912962e+00 -5.141912962e+00 2.52 -5.204945452e+00 -5.204945452e+00 2.54 -5.253381897e+00 -5.253381897e+00 2.56 -5.288404972e+00 -5.288404972e+00 2.58 -5.311140557e+00 -5.311140557e+00 2.60 -5.322645874e+00 -5.322645874e+00 2.62 -5.323897929e+00 -5.323897929e+00 2.64 -5.315783315e+00 -5.315783315e+00 2.66 -5.299091256e+00 -5.299091256e+00 2.68 -5.274570116e+00 -5.274570116e+00 2.70 -5.242841012e+00 -5.242841012e+00 2.72 -5.204280971e+00 -5.204280971e+00 2.74 -5.159219674e+00 -5.159219674e+00 2.76 -5.107951987e+00 -5.107951987e+00 2.78 -5.050753670e+00 -5.050753670e+00 2.80 -4.987874720e+00 -4.987874720e+00 2.82 -4.919532831e+00 -4.919532831e+00 2.84 -4.845938886e+00 -4.845938886e+00 2.86 -4.767316112e+00 -4.767316112e+00 2.88 -4.683907041e+00 -4.683907041e+00 2.90 -4.595980557e+00 -4.595980557e+00 2.92 -4.503822532e+00 -4.503822532e+00 2.94 -4.407539067e+00 -4.407539067e+00 2.96 -4.307183800e+00 -4.307183800e+00 2.98 -4.202940609e+00 -4.202940609e+00 3.00 -4.095105594e+00 -4.095105594e+00 3.02 -3.984060491e+00 -3.984060491e+00 3.04 -3.870243439e+00 -3.870243439e+00 3.06 -3.754119087e+00 -3.754119087e+00 3.08 -3.636150688e+00 -3.636150688e+00 3.10 -3.516777148e+00 -3.516777148e+00 3.12 -3.396397586e+00 -3.396397586e+00 3.14 -3.275364915e+00 -3.275364915e+00 3.16 -3.153988307e+00 -3.153988307e+00 3.18 -3.032542821e+00 -3.032542821e+00 3.20 -2.911283208e+00 -2.911283208e+00 3.22 -2.790458501e+00 -2.790458501e+00 3.24 -2.670324353e+00 -2.670324353e+00 3.26 -2.551151027e+00 -2.551151027e+00 3.28 -2.433226202e+00 -2.433226202e+00 3.30 -2.316852988e+00 -2.316852988e+00 3.32 -2.202344447e+00 -2.202344447e+00 3.34 -2.090016427e+00 -2.090016427e+00 3.36 -1.980180444e+00 -1.980180444e+00 3.38 -1.873137852e+00 -1.873137852e+00 3.40 -1.769175799e+00 -1.769175799e+00 3.42 -1.668564672e+00 -1.668564672e+00 3.44 -1.571556202e+00 -1.571556202e+00 3.46 -1.478381207e+00 -1.478381207e+00 3.48 -1.389246201e+00 -1.389246201e+00 3.50 -1.304328554e+00 -1.304328554e+00 3.52 -1.223770537e+00 -1.223770537e+00 3.54 -1.147673061e+00 -1.147673061e+00 3.56 -1.076090171e+00 -1.076090171e+00 3.58 -1.009025331e+00 -1.009025331e+00 3.60 -9.464302565e-01 -9.464302565e-01 3.62 -8.882065893e-01 -8.882065893e-01 3.64 -8.342102813e-01 -8.342102813e-01 3.66 -7.842581767e-01 -7.842581767e-01 3.68 -7.381360522e-01 -7.381360522e-01 3.70 -6.956073096e-01 -6.956073096e-01 3.72 -6.564215873e-01 -6.564215873e-01 3.74 -6.203226840e-01 -6.203226840e-01 3.76 -5.870551650e-01 -5.870551650e-01 3.78 -5.563706639e-01 -5.563706639e-01 3.80 -5.280317181e-01 -5.280317181e-01 3.82 -5.018145970e-01 -5.018145970e-01 3.84 -4.775112352e-01 -4.775112352e-01 3.86 -4.549301970e-01 -4.549301970e-01 3.88 -4.338968810e-01 -4.338968810e-01 3.90 -4.142531594e-01 -4.142531594e-01 3.92 -3.958566231e-01 -3.958566231e-01 3.94 -3.785795756e-01 -3.785795756e-01 3.96 -3.623078871e-01 -3.623078871e-01 3.98 -3.469398042e-01 -3.469398042e-01 4.00 -3.323847777e-01 -3.323847777e-01 4.02 -3.185623577e-01 -3.185623577e-01 4.04 -3.054011911e-01 -3.054011911e-01 4.06 -2.928381415e-01 -2.928381415e-01 4.08 -2.808175425e-01 -2.808175425e-01 4.10 -2.692905859e-01 -2.692905859e-01 4.12 -2.582148436e-01 -2.582148436e-01 4.14 -2.475538903e-01 -2.475538903e-01 4.16 -2.372770251e-01 -2.372770251e-01 4.18 -2.273590362e-01 -2.273590362e-01 4.20 -2.177799745e-01 -2.177799745e-01 4.22 -2.085248818e-01 -2.085248818e-01 4.24 -1.995834247e-01 -1.995834247e-01 4.26 -1.909493890e-01 -1.909493890e-01 4.28 -1.826200093e-01 -1.826200093e-01 4.30 -1.745951307e-01 -1.745951307e-01 4.32 -1.668762325e-01 -1.668762325e-01 4.34 -1.594653747e-01 -1.594653747e-01 4.36 -1.523641502e-01 -1.523641502e-01 4.38 -1.455727384e-01 -1.455727384e-01 4.40 -1.390891435e-01 -1.390891435e-01 4.42 -1.329086858e-01 -1.329086858e-01 4.44 -1.270237702e-01 -1.270237702e-01 4.46 -1.214239239e-01 -1.214239239e-01 4.48 -1.160958877e-01 -1.160958877e-01 4.50 -1.110243924e-01 -1.110243924e-01 4.52 -1.061926863e-01 -1.061926863e-01 4.54 -1.015828465e-01 -1.015828465e-01 4.56 -9.717634498e-02 -9.717634498e-02 4.58 -9.295455057e-02 -9.295455057e-02 4.60 -8.889914849e-02 -8.889914849e-02 4.62 -8.499247533e-02 -8.499247533e-02 4.64 -8.121777775e-02 -8.121777775e-02 4.66 -7.755940915e-02 -7.755940915e-02 4.68 -7.400298176e-02 -7.400298176e-02 4.70 -7.053549053e-02 -7.053549053e-02 4.72 -6.714542354e-02 -6.714542354e-02 4.74 -6.382286921e-02 -6.382286921e-02 4.76 -6.055962634e-02 -6.055962634e-02 4.78 -5.734931764e-02 -5.734931764e-02 4.80 -5.418750148e-02 -5.418750148e-02 4.82 -5.107177486e-02 -5.107177486e-02 4.84 -4.800184529e-02 -4.800184529e-02 4.86 -4.497956386e-02 -4.497956386e-02 4.88 -4.200889181e-02 -4.200889181e-02 4.90 -3.909578525e-02 -3.909578525e-02 4.92 -3.624798343e-02 -3.624798343e-02 4.94 -3.347469382e-02 -3.347469382e-02 4.96 -3.078617900e-02 -3.078617900e-02 4.98 -2.819325752e-02 -2.819325752e-02 5.00 -2.570675257e-02 -2.570675257e-02 5.02 -2.333692476e-02 -2.333692476e-02 5.04 -2.109293054e-02 -2.109293054e-02 5.06 -1.898235037e-02 -1.898235037e-02 5.08 -1.701082291e-02 -1.701082291e-02 5.10 -1.518145418e-02 -1.518145418e-02 5.12 -1.349526423e-02 -1.349526423e-02 5.14 -1.195155628e-02 -1.195155628e-02 5.16 -1.054745750e-02 -1.054745750e-02 5.18 -9.278198713e-03 -9.278198713e-03 5.20 -8.137456129e-03 -8.137456129e-03 5.22 -7.117719921e-03 -7.117719921e-03 5.24 -6.210660498e-03 -6.210660498e-03 5.26 -5.407469604e-03 -5.407469604e-03 5.28 -4.699160642e-03 -4.699160642e-03 5.30 -4.076819502e-03 -4.076819502e-03 5.32 -3.531803084e-03 -3.531803084e-03 5.34 -3.055887152e-03 -3.055887152e-03 5.36 -2.641368231e-03 -2.641368231e-03 5.38 -2.281125929e-03 -2.281125929e-03 5.40 -1.968652777e-03 -1.968652777e-03 5.42 -1.698058597e-03 -1.698058597e-03 5.44 -1.464055810e-03 -1.464055810e-03 5.46 -1.261931295e-03 -1.261931295e-03 5.48 -1.087509417e-03 -1.087509417e-03 5.50 -9.371099578e-04 -9.371099578e-04 5.52 -8.075037705e-04 -8.075037705e-04 5.54 -6.958682813e-04 -6.958682813e-04 5.56 -5.997443087e-04 -5.997443087e-04 5.58 -5.169951928e-04 -5.169951928e-04 5.60 -4.457688340e-04 -4.457688340e-04 5.62 -3.844629540e-04 -3.844629540e-04 5.64 -3.316936789e-04 -3.316936789e-04 5.66 -2.862674000e-04 -2.862674000e-04 5.68 -2.471557664e-04 -2.471557664e-04 5.70 -2.134736065e-04 -2.134736065e-04 5.72 -1.844595403e-04 -1.844595403e-04 5.74 -1.594590300e-04 -1.594590300e-04 5.76 -1.379096190e-04 -1.379096190e-04 5.78 -1.193281171e-04 -1.193281171e-04 5.80 -1.032995033e-04 -1.032995033e-04 5.82 -8.946733908e-05 -8.946733908e-05 5.84 -7.752549909e-05 -7.752549909e-05 5.86 -6.721105092e-05 -6.721105092e-05 5.88 -5.829813060e-05 -5.829813060e-05 5.90 -5.059268025e-05 -5.059268025e-05 5.92 -4.392792993e-05 -4.392792993e-05 5.94 -3.816052086e-05 -3.816052086e-05 5.96 -3.316718053e-05 -3.316718053e-05 5.98 -2.884187200e-05 -2.884187200e-05 6.00 -2.509335043e-05 -2.509335043e-05