# 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 = AlCo2Ti # 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 1.438508982e+02 1.438508982e+02 1.30 1.327242496e+02 1.327242496e+02 1.32 1.224493994e+02 1.224493994e+02 1.34 1.129546582e+02 1.129546582e+02 1.36 1.041752556e+02 1.041752556e+02 1.38 9.605380386e+01 9.605380386e+01 1.40 8.853916128e+01 8.853916128e+01 1.42 8.158455053e+01 8.158455053e+01 1.44 7.514596726e+01 7.514596726e+01 1.46 6.918174090e+01 6.918174090e+01 1.48 6.365329562e+01 6.365329562e+01 1.50 5.852612738e+01 5.852612738e+01 1.52 5.376991140e+01 5.376991140e+01 1.54 4.935769492e+01 4.935769492e+01 1.56 4.526494433e+01 4.526494433e+01 1.58 4.146893952e+01 4.146893952e+01 1.60 3.794844639e+01 3.794844639e+01 1.62 3.468348957e+01 3.468348957e+01 1.64 3.165517079e+01 3.165517079e+01 1.66 2.884556530e+01 2.884556530e+01 1.68 2.623792367e+01 2.623792367e+01 1.70 2.381784612e+01 2.381784612e+01 1.72 2.157213972e+01 2.157213972e+01 1.74 1.948948088e+01 1.948948088e+01 1.76 1.755813001e+01 1.755813001e+01 1.78 1.576726798e+01 1.576726798e+01 1.80 1.410707016e+01 1.410707016e+01 1.82 1.256866436e+01 1.256866436e+01 1.84 1.114404942e+01 1.114404942e+01 1.86 9.825934561e+00 9.825934561e+00 1.88 8.607525271e+00 8.607525271e+00 1.90 7.482307454e+00 7.482307454e+00 1.92 6.443884049e+00 6.443884049e+00 1.94 5.485917985e+00 5.485917985e+00 1.96 4.602202718e+00 4.602202718e+00 1.98 3.786820748e+00 3.786820748e+00 2.00 3.034307298e+00 3.034307298e+00 2.02 2.339750308e+00 2.339750308e+00 2.04 1.698803163e+00 1.698803163e+00 2.06 1.107626082e+00 1.107626082e+00 2.08 5.627929976e-01 5.627929976e-01 2.10 6.119854270e-02 6.119854270e-02 2.12 -4.000175036e-01 -4.000175036e-01 2.14 -8.235248625e-01 -8.235248625e-01 2.16 -1.211835594e+00 -1.211835594e+00 2.18 -1.567316798e+00 -1.567316798e+00 2.20 -1.892190514e+00 -1.892190514e+00 2.22 -2.188532960e+00 -2.188532960e+00 2.24 -2.458280628e+00 -2.458280628e+00 2.26 -2.703242419e+00 -2.703242419e+00 2.28 -2.925111382e+00 -2.925111382e+00 2.30 -3.125469841e+00 -3.125469841e+00 2.32 -3.305787379e+00 -3.305787379e+00 2.34 -3.467414057e+00 -3.467414057e+00 2.36 -3.611576662e+00 -3.611576662e+00 2.38 -3.739383811e+00 -3.739383811e+00 2.40 -3.851843200e+00 -3.851843200e+00 2.42 -3.949888437e+00 -3.949888437e+00 2.44 -4.034408902e+00 -4.034408902e+00 2.46 -4.106276069e+00 -4.106276069e+00 2.48 -4.166361281e+00 -4.166361281e+00 2.50 -4.215553618e+00 -4.215553618e+00 2.52 -4.254794036e+00 -4.254794036e+00 2.54 -4.284926490e+00 -4.284926490e+00 2.56 -4.306872043e+00 -4.306872043e+00 2.58 -4.321447984e+00 -4.321447984e+00 2.60 -4.329427312e+00 -4.329427312e+00 2.62 -4.331575534e+00 -4.331575534e+00 2.64 -4.328610610e+00 -4.328610610e+00 2.66 -4.321145260e+00 -4.321145260e+00 2.68 -4.309681217e+00 -4.309681217e+00 2.70 -4.295206048e+00 -4.295206048e+00 2.72 -4.277779933e+00 -4.277779933e+00 2.74 -4.257168597e+00 -4.257168597e+00 2.76 -4.233170459e+00 -4.233170459e+00 2.78 -4.205644576e+00 -4.205644576e+00 2.80 -4.174506461e+00 -4.174506461e+00 2.82 -4.139722071e+00 -4.139722071e+00 2.84 -4.101302439e+00 -4.101302439e+00 2.86 -4.059308881e+00 -4.059308881e+00 2.88 -4.013842084e+00 -4.013842084e+00 2.90 -3.965028894e+00 -3.965028894e+00 2.92 -3.913022306e+00 -3.913022306e+00 2.94 -3.858004227e+00 -3.858004227e+00 2.96 -3.800190699e+00 -3.800190699e+00 2.98 -3.739838449e+00 -3.739838449e+00 3.00 -3.677250301e+00 -3.677250301e+00 3.02 -3.612775861e+00 -3.612775861e+00 3.04 -3.546804063e+00 -3.546804063e+00 3.06 -3.479746404e+00 -3.479746404e+00 3.08 -3.412012243e+00 -3.412012243e+00 3.10 -3.343982183e+00 -3.343982183e+00 3.12 -3.275985121e+00 -3.275985121e+00 3.14 -3.208284398e+00 -3.208284398e+00 3.16 -3.141074038e+00 -3.141074038e+00 3.18 -3.074484609e+00 -3.074484609e+00 3.20 -3.008594626e+00 -3.008594626e+00 3.22 -2.943444215e+00 -2.943444215e+00 3.24 -2.879048133e+00 -2.879048133e+00 3.26 -2.815406522e+00 -2.815406522e+00 3.28 -2.752512821e+00 -2.752512821e+00 3.30 -2.690358980e+00 -2.690358980e+00 3.32 -2.628938541e+00 -2.628938541e+00 3.34 -2.568248198e+00 -2.568248198e+00 3.36 -2.508288470e+00 -2.508288470e+00 3.38 -2.449063936e+00 -2.449063936e+00 3.40 -2.390583358e+00 -2.390583358e+00 3.42 -2.332859961e+00 -2.332859961e+00 3.44 -2.275911679e+00 -2.275911679e+00 3.46 -2.219761629e+00 -2.219761629e+00 3.48 -2.164438369e+00 -2.164438369e+00 3.50 -2.109975791e+00 -2.109975791e+00 3.52 -2.056412335e+00 -2.056412335e+00 3.54 -2.003789300e+00 -2.003789300e+00 3.56 -1.952148218e+00 -1.952148218e+00 3.58 -1.901527512e+00 -1.901527512e+00 3.60 -1.851958950e+00 -1.851958950e+00 3.62 -1.803464563e+00 -1.803464563e+00 3.64 -1.756054634e+00 -1.756054634e+00 3.66 -1.709727132e+00 -1.709727132e+00 3.68 -1.664468585e+00 -1.664468585e+00 3.70 -1.620256089e+00 -1.620256089e+00 3.72 -1.577059958e+00 -1.577059958e+00 3.74 -1.534846508e+00 -1.534846508e+00 3.76 -1.493580562e+00 -1.493580562e+00 3.78 -1.453227424e+00 -1.453227424e+00 3.80 -1.413754221e+00 -1.413754221e+00 3.82 -1.375130628e+00 -1.375130628e+00 3.84 -1.337329063e+00 -1.337329063e+00 3.86 -1.300324486e+00 -1.300324486e+00 3.88 -1.264093938e+00 -1.264093938e+00 3.90 -1.228615939e+00 -1.228615939e+00 3.92 -1.193869831e+00 -1.193869831e+00 3.94 -1.159835301e+00 -1.159835301e+00 3.96 -1.126491715e+00 -1.126491715e+00 3.98 -1.093817886e+00 -1.093817886e+00 4.00 -1.061791842e+00 -1.061791842e+00 4.02 -1.030390805e+00 -1.030390805e+00 4.04 -9.995913529e-01 -9.995913529e-01 4.06 -9.693697985e-01 -9.693697985e-01 4.08 -9.397027811e-01 -9.397027811e-01 4.10 -9.105680248e-01 -9.105680248e-01 4.12 -8.819456499e-01 -8.819456499e-01 4.14 -8.538189785e-01 -8.538189785e-01 4.16 -8.261761867e-01 -8.261761867e-01 4.18 -7.990115927e-01 -7.990115927e-01 4.20 -7.723268849e-01 -7.723268849e-01 4.22 -7.461320170e-01 -7.461320170e-01 4.24 -7.204455660e-01 -7.204455660e-01 4.26 -6.952943636e-01 -6.952943636e-01 4.28 -6.707122830e-01 -6.707122830e-01 4.30 -6.467381735e-01 -6.467381735e-01 4.32 -6.234130766e-01 -6.234130766e-01 4.34 -6.007769943e-01 -6.007769943e-01 4.36 -5.788655781e-01 -5.788655781e-01 4.38 -5.577071358e-01 -5.577071358e-01 4.40 -5.373202971e-01 -5.373202971e-01 4.42 -5.177125657e-01 -5.177125657e-01 4.44 -4.988798319e-01 -4.988798319e-01 4.46 -4.808067729e-01 -4.808067729e-01 4.48 -4.634679645e-01 -4.634679645e-01 4.50 -4.468294660e-01 -4.468294660e-01 4.52 -4.308506395e-01 -4.308506395e-01 4.54 -4.154859948e-01 -4.154859948e-01 4.56 -4.006869089e-01 -4.006869089e-01 4.58 -3.864031281e-01 -3.864031281e-01 4.60 -3.725840166e-01 -3.725840166e-01 4.62 -3.591795595e-01 -3.591795595e-01 4.64 -3.461411568e-01 -3.461411568e-01 4.66 -3.334222619e-01 -3.334222619e-01 4.68 -3.209789245e-01 -3.209789245e-01 4.70 -3.087702968e-01 -3.087702968e-01 4.72 -2.967591516e-01 -2.967591516e-01 4.74 -2.849124513e-01 -2.849124513e-01 4.76 -2.732019875e-01 -2.732019875e-01 4.78 -2.616050922e-01 -2.616050922e-01 4.80 -2.501053500e-01 -2.501053500e-01 4.82 -2.386935532e-01 -2.386935532e-01 4.84 -2.273680810e-01 -2.273680810e-01 4.86 -2.161356300e-01 -2.161356300e-01 4.88 -2.050113979e-01 -2.050113979e-01 4.90 -1.940189400e-01 -1.940189400e-01 4.92 -1.831895539e-01 -1.831895539e-01 4.94 -1.725611454e-01 -1.725611454e-01 4.96 -1.621765832e-01 -1.621765832e-01 4.98 -1.520816196e-01 -1.520816196e-01 5.00 -1.423225173e-01 -1.423225173e-01 5.02 -1.329435778e-01 -1.329435778e-01 5.04 -1.239847903e-01 -1.239847903e-01 5.06 -1.154797978e-01 -1.154797978e-01 5.08 -1.074542717e-01 -1.074542717e-01 5.10 -9.992497152e-02 -9.992497152e-02 5.12 -9.289983084e-02 -9.289983084e-02 5.14 -8.637785196e-02 -8.637785196e-02 5.16 -8.034985160e-02 -8.034985160e-02 5.18 -7.479950889e-02 -7.479950889e-02 5.20 -6.970464418e-02 -6.970464418e-02 5.22 -6.503917673e-02 -6.503917673e-02 5.24 -6.077402127e-02 -6.077402127e-02 5.26 -5.687832830e-02 -5.687832830e-02 5.28 -5.332059547e-02 -5.332059547e-02 5.30 -5.006957099e-02 -5.006957099e-02 5.32 -4.709494875e-02 -4.709494875e-02 5.34 -4.436787041e-02 -4.436787041e-02 5.36 -4.186125933e-02 -4.186125933e-02 5.38 -3.955001545e-02 -3.955001545e-02 5.40 -3.741110098e-02 -3.741110098e-02 5.42 -3.542354476e-02 -3.542354476e-02 5.44 -3.356838990e-02 -3.356838990e-02 5.46 -3.182860563e-02 -3.182860563e-02 5.48 -3.018897980e-02 -3.018897980e-02 5.50 -2.863600530e-02 -2.863600530e-02 5.52 -2.715776973e-02 -2.715776973e-02 5.54 -2.574385509e-02 -2.574385509e-02 5.56 -2.438525119e-02 -2.438525119e-02 5.58 -2.307428433e-02 -2.307428433e-02 5.60 -2.180456020e-02 -2.180456020e-02 5.62 -2.057091903e-02 -2.057091903e-02 5.64 -1.936939780e-02 -1.936939780e-02 5.66 -1.819719364e-02 -1.819719364e-02 5.68 -1.705262108e-02 -1.705262108e-02 5.70 -1.593505582e-02 -1.593505582e-02 5.72 -1.484485742e-02 -1.484485742e-02 5.74 -1.378326534e-02 -1.378326534e-02 5.76 -1.275226502e-02 -1.275226502e-02 5.78 -1.175437038e-02 -1.175437038e-02 5.80 -1.079244297e-02 -1.079244297e-02 5.82 -9.869682144e-03 -9.869682144e-03 5.84 -8.989258365e-03 -8.989258365e-03 5.86 -8.154101415e-03 -8.154101415e-03 5.88 -7.366717896e-03 -7.366717896e-03 5.90 -6.629043716e-03 -6.629043716e-03 5.92 -5.942340559e-03 -5.942340559e-03 5.94 -5.307140771e-03 -5.307140771e-03 5.96 -4.723240220e-03 -4.723240220e-03 5.98 -4.189734265e-03 -4.189734265e-03 6.00 -3.705088639e-03 -3.705088639e-03