# 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 = TaTi2W # 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 3.541526359e+02 3.541526359e+02 1.30 3.277673487e+02 3.277673487e+02 1.32 3.033795596e+02 3.033795596e+02 1.34 2.808264958e+02 2.808264958e+02 1.36 2.599587320e+02 2.599587320e+02 1.38 2.406394113e+02 2.406394113e+02 1.40 2.227435077e+02 2.227435077e+02 1.42 2.061570168e+02 2.061570168e+02 1.44 1.907761176e+02 1.907761176e+02 1.46 1.765061285e+02 1.765061285e+02 1.48 1.632601883e+02 1.632601883e+02 1.50 1.509581885e+02 1.509581885e+02 1.52 1.395264571e+02 1.395264571e+02 1.54 1.288980536e+02 1.288980536e+02 1.56 1.190130826e+02 1.190130826e+02 1.58 1.098184528e+02 1.098184528e+02 1.60 1.012669384e+02 1.012669384e+02 1.62 9.331589837e+01 9.331589837e+01 1.64 8.592607647e+01 8.592607647e+01 1.66 7.906065161e+01 7.906065161e+01 1.68 7.268459149e+01 7.268459149e+01 1.70 6.676438165e+01 6.676438165e+01 1.72 6.126810622e+01 6.126810622e+01 1.74 5.616567279e+01 5.616567279e+01 1.76 5.142892617e+01 5.142892617e+01 1.78 4.703157851e+01 4.703157851e+01 1.80 4.294908000e+01 4.294908000e+01 1.82 3.915856105e+01 3.915856105e+01 1.84 3.563884291e+01 3.563884291e+01 1.86 3.237043346e+01 3.237043346e+01 1.88 2.933543829e+01 2.933543829e+01 1.90 2.651738351e+01 2.651738351e+01 1.92 2.390117102e+01 2.390117102e+01 1.94 2.147612448e+01 2.147612448e+01 1.96 1.923016568e+01 1.923016568e+01 1.98 1.715072168e+01 1.715072168e+01 2.00 1.522580401e+01 1.522580401e+01 2.02 1.344414120e+01 1.344414120e+01 2.04 1.179519968e+01 1.179519968e+01 2.06 1.026913877e+01 1.026913877e+01 2.08 8.856792326e+00 8.856792326e+00 2.10 7.549671176e+00 7.549671176e+00 2.12 6.339965521e+00 6.339965521e+00 2.14 5.220532066e+00 5.220532066e+00 2.16 4.184864981e+00 4.184864981e+00 2.18 3.227053434e+00 3.227053434e+00 2.20 2.341725333e+00 2.341725333e+00 2.22 1.523975194e+00 1.523975194e+00 2.24 7.692823180e-01 7.692823180e-01 2.26 7.343234218e-02 7.343234218e-02 2.28 -5.675447913e-01 -5.675447913e-01 2.30 -1.157413260e+00 -1.157413260e+00 2.32 -1.699748917e+00 -1.699748917e+00 2.34 -2.197938280e+00 -2.197938280e+00 2.36 -2.655167629e+00 -2.655167629e+00 2.38 -3.074409236e+00 -3.074409236e+00 2.40 -3.458413034e+00 -3.458413034e+00 2.42 -3.809707126e+00 -3.809707126e+00 2.44 -4.130605880e+00 -4.130605880e+00 2.46 -4.423223537e+00 -4.423223537e+00 2.48 -4.689490391e+00 -4.689490391e+00 2.50 -4.931169402e+00 -4.931169402e+00 2.52 -5.149871185e+00 -5.149871185e+00 2.54 -5.347066320e+00 -5.347066320e+00 2.56 -5.524095572e+00 -5.524095572e+00 2.58 -5.682179793e+00 -5.682179793e+00 2.60 -5.822408454e+00 -5.822408454e+00 2.62 -5.945744251e+00 -5.945744251e+00 2.64 -6.053118582e+00 -6.053118582e+00 2.66 -6.145442567e+00 -6.145442567e+00 2.68 -6.223685539e+00 -6.223685539e+00 2.70 -6.288753097e+00 -6.288753097e+00 2.72 -6.341497770e+00 -6.341497770e+00 2.74 -6.382726611e+00 -6.382726611e+00 2.76 -6.413205920e+00 -6.413205920e+00 2.78 -6.433622935e+00 -6.433622935e+00 2.80 -6.444354265e+00 -6.444354265e+00 2.82 -6.445528360e+00 -6.445528360e+00 2.84 -6.437302751e+00 -6.437302751e+00 2.86 -6.419889913e+00 -6.419889913e+00 2.88 -6.393555235e+00 -6.393555235e+00 2.90 -6.358620363e+00 -6.358620363e+00 2.92 -6.315551330e+00 -6.315551330e+00 2.94 -6.264754222e+00 -6.264754222e+00 2.96 -6.206641061e+00 -6.206641061e+00 2.98 -6.141707846e+00 -6.141707846e+00 3.00 -6.070526688e+00 -6.070526688e+00 3.02 -5.993730462e+00 -5.993730462e+00 3.04 -5.911988203e+00 -5.911988203e+00 3.06 -5.825972593e+00 -5.825972593e+00 3.08 -5.736304255e+00 -5.736304255e+00 3.10 -5.643385922e+00 -5.643385922e+00 3.12 -5.547484436e+00 -5.547484436e+00 3.14 -5.448806221e+00 -5.448806221e+00 3.16 -5.347497988e+00 -5.347497988e+00 3.18 -5.243659816e+00 -5.243659816e+00 3.20 -5.137364361e+00 -5.137364361e+00 3.22 -5.028677958e+00 -5.028677958e+00 3.24 -4.917679826e+00 -4.917679826e+00 3.26 -4.804477153e+00 -4.804477153e+00 3.28 -4.689215071e+00 -4.689215071e+00 3.30 -4.572081378e+00 -4.572081378e+00 3.32 -4.453306484e+00 -4.453306484e+00 3.34 -4.333159483e+00 -4.333159483e+00 3.36 -4.211941508e+00 -4.211941508e+00 3.38 -4.089977613e+00 -4.089977613e+00 3.40 -3.967608299e+00 -3.967608299e+00 3.42 -3.845181639e+00 -3.845181639e+00 3.44 -3.723046146e+00 -3.723046146e+00 3.46 -3.601544872e+00 -3.601544872e+00 3.48 -3.481010127e+00 -3.481010127e+00 3.50 -3.361758510e+00 -3.361758510e+00 3.52 -3.244085783e+00 -3.244085783e+00 3.54 -3.128261343e+00 -3.128261343e+00 3.56 -3.014522390e+00 -3.014522390e+00 3.58 -2.903068389e+00 -2.903068389e+00 3.60 -2.794056830e+00 -2.794056830e+00 3.62 -2.687601463e+00 -2.687601463e+00 3.64 -2.583773947e+00 -2.583773947e+00 3.66 -2.482609273e+00 -2.482609273e+00 3.68 -2.384114475e+00 -2.384114475e+00 3.70 -2.288279465e+00 -2.288279465e+00 3.72 -2.195088425e+00 -2.195088425e+00 3.74 -2.104530147e+00 -2.104530147e+00 3.76 -2.016606037e+00 -2.016606037e+00 3.78 -1.931334913e+00 -1.931334913e+00 3.80 -1.848754310e+00 -1.848754310e+00 3.82 -1.768918420e+00 -1.768918420e+00 3.84 -1.691893228e+00 -1.691893228e+00 3.86 -1.617749679e+00 -1.617749679e+00 3.88 -1.546555846e+00 -1.546555846e+00 3.90 -1.478369114e+00 -1.478369114e+00 3.92 -1.413229212e+00 -1.413229212e+00 3.94 -1.351153099e+00 -1.351153099e+00 3.96 -1.292131308e+00 -1.292131308e+00 3.98 -1.236126971e+00 -1.236126971e+00 4.00 -1.183076542e+00 -1.183076542e+00 4.02 -1.132892217e+00 -1.132892217e+00 4.04 -1.085465566e+00 -1.085465566e+00 4.06 -1.040671867e+00 -1.040671867e+00 4.08 -9.983747130e-01 -9.983747130e-01 4.10 -9.584303257e-01 -9.584303257e-01 4.12 -9.206923483e-01 -9.206923483e-01 4.14 -8.850142705e-01 -8.850142705e-01 4.16 -8.512530710e-01 -8.512530710e-01 4.18 -8.192712153e-01 -8.192712153e-01 4.20 -7.889382324e-01 -7.889382324e-01 4.22 -7.601317362e-01 -7.601317362e-01 4.24 -7.327379801e-01 -7.327379801e-01 4.26 -7.066520364e-01 -7.066520364e-01 4.28 -6.817776884e-01 -6.817776884e-01 4.30 -6.580271124e-01 -6.580271124e-01 4.32 -6.353204162e-01 -6.353204162e-01 4.34 -6.135850883e-01 -6.135850883e-01 4.36 -5.927553997e-01 -5.927553997e-01 4.38 -5.727717899e-01 -5.727717899e-01 4.40 -5.535802614e-01 -5.535802614e-01 4.42 -5.351317984e-01 -5.351317984e-01 4.44 -5.173818186e-01 -5.173818186e-01 4.46 -5.002896664e-01 -5.002896664e-01 4.48 -4.838181493e-01 -4.838181493e-01 4.50 -4.679331172e-01 -4.679331172e-01 4.52 -4.526030848e-01 -4.526030848e-01 4.54 -4.377988950e-01 -4.377988950e-01 4.56 -4.234934208e-01 -4.234934208e-01 4.58 -4.096613028e-01 -4.096613028e-01 4.60 -3.962787214e-01 -3.962787214e-01 4.62 -3.833232013e-01 -3.833232013e-01 4.64 -3.707734473e-01 -3.707734473e-01 4.66 -3.586092115e-01 -3.586092115e-01 4.68 -3.468111924e-01 -3.468111924e-01 4.70 -3.353609668e-01 -3.353609668e-01 4.72 -3.242409570e-01 -3.242409570e-01 4.74 -3.134344357e-01 -3.134344357e-01 4.76 -3.029255699e-01 -3.029255699e-01 4.78 -2.926995063e-01 -2.926995063e-01 4.80 -2.827424157e-01 -2.827424157e-01 4.82 -2.730420048e-01 -2.730420048e-01 4.84 -2.635871691e-01 -2.635871691e-01 4.86 -2.543685898e-01 -2.543685898e-01 4.88 -2.453788493e-01 -2.453788493e-01 4.90 -2.366126225e-01 -2.366126225e-01 4.92 -2.280668099e-01 -2.280668099e-01 4.94 -2.197405803e-01 -2.197405803e-01 4.96 -2.116352860e-01 -2.116352860e-01 4.98 -2.037542303e-01 -2.037542303e-01 5.00 -1.961022731e-01 -1.961022731e-01 5.02 -1.886852874e-01 -1.886852874e-01 5.04 -1.815094978e-01 -1.815094978e-01 5.06 -1.745807587e-01 -1.745807587e-01 5.08 -1.679037395e-01 -1.679037395e-01 5.10 -1.614811913e-01 -1.614811913e-01 5.12 -1.553141629e-01 -1.553141629e-01 5.14 -1.494011864e-01 -1.494011864e-01 5.16 -1.437381331e-01 -1.437381331e-01 5.18 -1.383183205e-01 -1.383183205e-01 5.20 -1.331327798e-01 -1.331327798e-01 5.22 -1.281706317e-01 -1.281706317e-01 5.24 -1.234195201e-01 -1.234195201e-01 5.26 -1.188660544e-01 -1.188660544e-01 5.28 -1.144962230e-01 -1.144962230e-01 5.30 -1.102957534e-01 -1.102957534e-01 5.32 -1.062504069e-01 -1.062504069e-01 5.34 -1.023462053e-01 -1.023462053e-01 5.36 -9.856959517e-02 -9.856959517e-02 5.38 -9.490755990e-02 -9.490755990e-02 5.40 -9.134769250e-02 -9.134769250e-02 5.42 -8.787824164e-02 -8.787824164e-02 5.44 -8.448814397e-02 -8.448814397e-02 5.46 -8.116705369e-02 -8.116705369e-02 5.48 -7.790537892e-02 -7.790537892e-02 5.50 -7.469433236e-02 -7.469433236e-02 5.52 -7.152600173e-02 -7.152600173e-02 5.54 -6.839344298e-02 -6.839344298e-02 5.56 -6.529079678e-02 -6.529079678e-02 5.58 -6.221342586e-02 -6.221342586e-02 5.60 -5.915806723e-02 -5.915806723e-02 5.62 -5.612298996e-02 -5.612298996e-02 5.64 -5.310814524e-02 -5.310814524e-02 5.66 -5.011529240e-02 -5.011529240e-02 5.68 -4.714807942e-02 -4.714807942e-02 5.70 -4.421206162e-02 -4.421206162e-02 5.72 -4.131463731e-02 -4.131463731e-02 5.74 -3.846488554e-02 -3.846488554e-02 5.76 -3.567329887e-02 -3.567329887e-02 5.78 -3.295141317e-02 -3.295141317e-02 5.80 -3.031135091e-02 -3.031135091e-02 5.82 -2.776529791e-02 -2.776529791e-02 5.84 -2.532495300e-02 -2.532495300e-02 5.86 -2.300099197e-02 -2.300099197e-02 5.88 -2.080258725e-02 -2.080258725e-02 5.90 -1.873702026e-02 -1.873702026e-02 5.92 -1.680931685e-02 -1.680931685e-02 5.94 -1.502207961e-02 -1.502207961e-02 5.96 -1.337601061e-02 -1.337601061e-02 5.98 -1.186961516e-02 -1.186961516e-02 6.00 -1.049939951e-02 -1.049939951e-02