# 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 = TiW2Zr # 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 4.072940063e+02 4.072940063e+02 1.30 3.769569073e+02 3.769569073e+02 1.32 3.489313534e+02 3.489313534e+02 1.34 3.230184299e+02 3.230184299e+02 1.36 2.990348300e+02 2.990348300e+02 1.38 2.768139570e+02 2.768139570e+02 1.40 2.562067452e+02 2.562067452e+02 1.42 2.370809291e+02 2.370809291e+02 1.44 2.193192669e+02 2.193192669e+02 1.46 2.028176669e+02 2.028176669e+02 1.48 1.874833726e+02 1.874833726e+02 1.50 1.732330284e+02 1.732330284e+02 1.52 1.599909538e+02 1.599909538e+02 1.54 1.476880051e+02 1.476880051e+02 1.56 1.362610427e+02 1.362610427e+02 1.58 1.256525728e+02 1.256525728e+02 1.60 1.158099610e+02 1.158099610e+02 1.62 1.066841512e+02 1.066841512e+02 1.64 9.822831986e+01 9.822831986e+01 1.66 9.039691064e+01 9.039691064e+01 1.68 8.314524170e+01 8.314524170e+01 1.70 7.642974784e+01 7.642974784e+01 1.72 7.020858308e+01 7.020858308e+01 1.74 6.444233550e+01 6.444233550e+01 1.76 5.909453745e+01 5.909453745e+01 1.78 5.413187777e+01 5.413187777e+01 1.80 4.952413333e+01 4.952413333e+01 1.82 4.524400278e+01 4.524400278e+01 1.84 4.126685132e+01 4.126685132e+01 1.86 3.757054586e+01 3.757054586e+01 1.88 3.413528866e+01 3.413528866e+01 1.90 3.094340283e+01 3.094340283e+01 1.92 2.797898766e+01 2.797898766e+01 1.94 2.522751663e+01 2.522751663e+01 1.96 2.267543919e+01 2.267543919e+01 1.98 2.030994013e+01 2.030994013e+01 2.00 1.811975532e+01 1.811975532e+01 2.02 1.609396983e+01 1.609396983e+01 2.04 1.422127383e+01 1.422127383e+01 2.06 1.249053604e+01 1.249053604e+01 2.08 1.089087656e+01 1.089087656e+01 2.10 9.411757205e+00 9.411757205e+00 2.12 8.043116738e+00 8.043116738e+00 2.14 6.775540809e+00 6.775540809e+00 2.16 5.600438341e+00 5.600438341e+00 2.18 4.510150642e+00 4.510150642e+00 2.20 3.497972873e+00 3.497972873e+00 2.22 2.558072107e+00 2.558072107e+00 2.24 1.685355573e+00 1.685355573e+00 2.26 8.753287271e-01 8.753287271e-01 2.28 1.239636823e-01 1.239636823e-01 2.30 -5.723797437e-01 -5.723797437e-01 2.32 -1.217047917e+00 -1.217047917e+00 2.34 -1.813119775e+00 -1.813119775e+00 2.36 -2.363466774e+00 -2.363466774e+00 2.38 -2.870784620e+00 -2.870784620e+00 2.40 -3.337626335e+00 -3.337626335e+00 2.42 -3.766434027e+00 -3.766434027e+00 2.44 -4.159555048e+00 -4.159555048e+00 2.46 -4.519252765e+00 -4.519252765e+00 2.48 -4.847699739e+00 -4.847699739e+00 2.50 -5.146960875e+00 -5.146960875e+00 2.52 -5.418970855e+00 -5.418970855e+00 2.54 -5.665511886e+00 -5.665511886e+00 2.56 -5.888197822e+00 -5.888197822e+00 2.58 -6.088470023e+00 -6.088470023e+00 2.60 -6.267607877e+00 -6.267607877e+00 2.62 -6.426750148e+00 -6.426750148e+00 2.64 -6.566936986e+00 -6.566936986e+00 2.66 -6.689126069e+00 -6.689126069e+00 2.68 -6.794233605e+00 -6.794233605e+00 2.70 -6.883084779e+00 -6.883084779e+00 2.72 -6.956475291e+00 -6.956475291e+00 2.74 -7.015425572e+00 -7.015425572e+00 2.76 -7.060946545e+00 -7.060946545e+00 2.78 -7.094026795e+00 -7.094026795e+00 2.80 -7.115634036e+00 -7.115634036e+00 2.82 -7.126720601e+00 -7.126720601e+00 2.84 -7.128239743e+00 -7.128239743e+00 2.86 -7.120961334e+00 -7.120961334e+00 2.88 -7.105153610e+00 -7.105153610e+00 2.90 -7.080862330e+00 -7.080862330e+00 2.92 -7.048227146e+00 -7.048227146e+00 2.94 -7.007483886e+00 -7.007483886e+00 2.96 -6.958962911e+00 -6.958962911e+00 2.98 -6.903084250e+00 -6.903084250e+00 3.00 -6.840288560e+00 -6.840288560e+00 3.02 -6.770936341e+00 -6.770936341e+00 3.04 -6.695444498e+00 -6.695444498e+00 3.06 -6.614284459e+00 -6.614284459e+00 3.08 -6.527933721e+00 -6.527933721e+00 3.10 -6.436849291e+00 -6.436849291e+00 3.12 -6.341436859e+00 -6.341436859e+00 3.14 -6.242045737e+00 -6.242045737e+00 3.16 -6.138867492e+00 -6.138867492e+00 3.18 -6.031958865e+00 -6.031958865e+00 3.20 -5.921343253e+00 -5.921343253e+00 3.22 -5.807030271e+00 -5.807030271e+00 3.24 -5.689032493e+00 -5.689032493e+00 3.26 -5.567382429e+00 -5.567382429e+00 3.28 -5.442148110e+00 -5.442148110e+00 3.30 -5.313445950e+00 -5.313445950e+00 3.32 -5.181450157e+00 -5.181450157e+00 3.34 -5.046398850e+00 -5.046398850e+00 3.36 -4.908597843e+00 -4.908597843e+00 3.38 -4.768423270e+00 -4.768423270e+00 3.40 -4.626322740e+00 -4.626322740e+00 3.42 -4.482819841e+00 -4.482819841e+00 3.44 -4.338506024e+00 -4.338506024e+00 3.46 -4.194037421e+00 -4.194037421e+00 3.48 -4.050119728e+00 -4.050119728e+00 3.50 -3.907487312e+00 -3.907487312e+00 3.52 -3.766876669e+00 -3.766876669e+00 3.54 -3.628996701e+00 -3.628996701e+00 3.56 -3.494498974e+00 -3.494498974e+00 3.58 -3.363951164e+00 -3.363951164e+00 3.60 -3.237816502e+00 -3.237816502e+00 3.62 -3.116441088e+00 -3.116441088e+00 3.64 -3.000049887e+00 -3.000049887e+00 3.66 -2.888751035e+00 -2.888751035e+00 3.68 -2.782547084e+00 -2.782547084e+00 3.70 -2.681351206e+00 -2.681351206e+00 3.72 -2.585006149e+00 -2.585006149e+00 3.74 -2.493303898e+00 -2.493303898e+00 3.76 -2.406004391e+00 -2.406004391e+00 3.78 -2.322852125e+00 -2.322852125e+00 3.80 -2.243589869e+00 -2.243589869e+00 3.82 -2.167969105e+00 -2.167969105e+00 3.84 -2.095757042e+00 -2.095757042e+00 3.86 -2.026740303e+00 -2.026740303e+00 3.88 -1.960725666e+00 -1.960725666e+00 3.90 -1.897538451e+00 -1.897538451e+00 3.92 -1.837017701e+00 -1.837017701e+00 3.94 -1.779019676e+00 -1.779019676e+00 3.96 -1.723403089e+00 -1.723403089e+00 3.98 -1.670034606e+00 -1.670034606e+00 4.00 -1.618785339e+00 -1.618785339e+00 4.02 -1.569530575e+00 -1.569530575e+00 4.04 -1.522150290e+00 -1.522150290e+00 4.06 -1.476530084e+00 -1.476530084e+00 4.08 -1.432562166e+00 -1.432562166e+00 4.10 -1.390140573e+00 -1.390140573e+00 4.12 -1.349185063e+00 -1.349185063e+00 4.14 -1.309604295e+00 -1.309604295e+00 4.16 -1.271321682e+00 -1.271321682e+00 4.18 -1.234268050e+00 -1.234268050e+00 4.20 -1.198381068e+00 -1.198381068e+00 4.22 -1.163604582e+00 -1.163604582e+00 4.24 -1.129887935e+00 -1.129887935e+00 4.26 -1.097185288e+00 -1.097185288e+00 4.28 -1.065454991e+00 -1.065454991e+00 4.30 -1.034659005e+00 -1.034659005e+00 4.32 -1.004762388e+00 -1.004762388e+00 4.34 -9.757328527e-01 -9.757328527e-01 4.36 -9.475403753e-01 -9.475403753e-01 4.38 -9.201568685e-01 -9.201568685e-01 4.40 -8.935559028e-01 -8.935559028e-01 4.42 -8.677124719e-01 -8.677124719e-01 4.44 -8.426027953e-01 -8.426027953e-01 4.46 -8.182041536e-01 -8.182041536e-01 4.48 -7.944947491e-01 -7.944947491e-01 4.50 -7.714535896e-01 -7.714535896e-01 4.52 -7.490603897e-01 -7.490603897e-01 4.54 -7.272954872e-01 -7.272954872e-01 4.56 -7.061397730e-01 -7.061397730e-01 4.58 -6.855746316e-01 -6.855746316e-01 4.60 -6.655818914e-01 -6.655818914e-01 4.62 -6.461437846e-01 -6.461437846e-01 4.64 -6.272429161e-01 -6.272429161e-01 4.66 -6.088622422e-01 -6.088622422e-01 4.68 -5.909850597e-01 -5.909850597e-01 4.70 -5.735950068e-01 -5.735950068e-01 4.72 -5.566760780e-01 -5.566760780e-01 4.74 -5.402126532e-01 -5.402126532e-01 4.76 -5.241895457e-01 -5.241895457e-01 4.78 -5.085920666e-01 -5.085920666e-01 4.80 -4.934029142e-01 -4.934029142e-01 4.82 -4.786156028e-01 -4.786156028e-01 4.84 -4.642136784e-01 -4.642136784e-01 4.86 -4.501854638e-01 -4.501854638e-01 4.88 -4.365203263e-01 -4.365203263e-01 4.90 -4.232087850e-01 -4.232087850e-01 4.92 -4.102425849e-01 -4.102425849e-01 4.94 -3.976147192e-01 -3.976147192e-01 4.96 -3.853193827e-01 -3.853193827e-01 4.98 -3.733518431e-01 -3.733518431e-01 5.00 -3.617082240e-01 -3.617082240e-01 5.02 -3.503852083e-01 -3.503852083e-01 5.04 -3.393796776e-01 -3.393796776e-01 5.06 -3.286883226e-01 -3.286883226e-01 5.08 -3.183072051e-01 -3.183072051e-01 5.10 -3.082314015e-01 -3.082314015e-01 5.12 -2.984550682e-01 -2.984550682e-01 5.14 -2.889710599e-01 -2.889710599e-01 5.16 -2.797708962e-01 -2.797708962e-01 5.18 -2.708448670e-01 -2.708448670e-01 5.20 -2.621822354e-01 -2.621822354e-01 5.22 -2.537715155e-01 -2.537715155e-01 5.24 -2.456007924e-01 -2.456007924e-01 5.26 -2.376580609e-01 -2.376580609e-01 5.28 -2.299315575e-01 -2.299315575e-01 5.30 -2.224100677e-01 -2.224100677e-01 5.32 -2.150831963e-01 -2.150831963e-01 5.34 -2.079415876e-01 -2.079415876e-01 5.36 -2.009770899e-01 -2.009770899e-01 5.38 -1.941828549e-01 -1.941828549e-01 5.40 -1.875533674e-01 -1.875533674e-01 5.42 -1.810844020e-01 -1.810844020e-01 5.44 -1.747729064e-01 -1.747729064e-01 5.46 -1.686168192e-01 -1.686168192e-01 5.48 -1.626148320e-01 -1.626148320e-01 5.50 -1.567661183e-01 -1.567661183e-01 5.52 -1.510700534e-01 -1.510700534e-01 5.54 -1.455259531e-01 -1.455259531e-01 5.56 -1.401328585e-01 -1.401328585e-01 5.58 -1.348893886e-01 -1.348893886e-01 5.60 -1.297935537e-01 -1.297935537e-01 5.62 -1.248429558e-01 -1.248429558e-01 5.64 -1.200349983e-01 -1.200349983e-01 5.66 -1.153668170e-01 -1.153668170e-01 5.68 -1.108354676e-01 -1.108354676e-01 5.70 -1.064381149e-01 -1.064381149e-01 5.72 -1.021721952e-01 -1.021721952e-01 5.74 -9.803552680e-02 -9.803552680e-02 5.76 -9.402635371e-02 -9.402635371e-02 5.78 -9.014331440e-02 -9.014331440e-02 5.80 -8.638533964e-02 -8.638533964e-02 5.82 -8.275149123e-02 -8.275149123e-02 5.84 -7.924076152e-02 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