# 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 = AuCuTa2 # 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 3.146859113e+02 3.146859113e+02 1.30 2.917607069e+02 2.917607069e+02 1.32 2.705473296e+02 2.705473296e+02 1.34 2.509114860e+02 2.509114860e+02 1.36 2.327253808e+02 2.327253808e+02 1.38 2.158690981e+02 2.158690981e+02 1.40 2.002321485e+02 2.002321485e+02 1.42 1.857140768e+02 1.857140768e+02 1.44 1.722240906e+02 1.722240906e+02 1.46 1.596802202e+02 1.596802202e+02 1.48 1.480084847e+02 1.480084847e+02 1.50 1.371421789e+02 1.371421789e+02 1.52 1.270211062e+02 1.270211062e+02 1.54 1.175906224e+02 1.175906224e+02 1.56 1.088006125e+02 1.088006125e+02 1.58 1.006047231e+02 1.006047231e+02 1.60 9.296006338e+01 9.296006338e+01 1.62 8.582723875e+01 8.582723875e+01 1.64 7.917038887e+01 7.917038887e+01 1.66 7.295703429e+01 7.295703429e+01 1.68 6.715776237e+01 6.715776237e+01 1.70 6.174583711e+01 6.174583711e+01 1.72 5.669674338e+01 5.669674338e+01 1.74 5.198764516e+01 5.198764516e+01 1.76 4.759681864e+01 4.759681864e+01 1.78 4.350321588e+01 4.350321588e+01 1.80 3.968629504e+01 3.968629504e+01 1.82 3.612612438e+01 3.612612438e+01 1.84 3.280579420e+01 3.280579420e+01 1.86 2.971480201e+01 2.971480201e+01 1.88 2.683658144e+01 2.683658144e+01 1.90 2.415960707e+01 2.415960707e+01 1.92 2.167775367e+01 2.167775367e+01 1.94 1.937763582e+01 1.937763582e+01 1.96 1.724698568e+01 1.724698568e+01 1.98 1.527467635e+01 1.527467635e+01 2.00 1.345049247e+01 1.345049247e+01 2.02 1.176490096e+01 1.176490096e+01 2.04 1.020886048e+01 1.020886048e+01 2.06 8.773712053e+00 8.773712053e+00 2.08 7.451157919e+00 7.451157919e+00 2.10 6.233302020e+00 6.233302020e+00 2.12 5.112712370e+00 5.112712370e+00 2.14 4.082472602e+00 4.082472602e+00 2.16 3.136204750e+00 3.136204750e+00 2.18 2.268058241e+00 2.268058241e+00 2.20 1.472667827e+00 1.472667827e+00 2.22 7.450867557e-01 7.450867557e-01 2.24 8.070342541e-02 8.070342541e-02 2.26 -5.248481557e-01 -5.248481557e-01 2.28 -1.075771326e+00 -1.075771326e+00 2.30 -1.576168772e+00 -1.576168772e+00 2.32 -2.030070553e+00 -2.030070553e+00 2.34 -2.441420927e+00 -2.441420927e+00 2.36 -2.814027125e+00 -2.814027125e+00 2.38 -3.151484857e+00 -3.151484857e+00 2.40 -3.457102669e+00 -3.457102669e+00 2.42 -3.733846258e+00 -3.733846258e+00 2.44 -3.984315278e+00 -3.984315278e+00 2.46 -4.210753934e+00 -4.210753934e+00 2.48 -4.415087928e+00 -4.415087928e+00 2.50 -4.598949695e+00 -4.598949695e+00 2.52 -4.763579210e+00 -4.763579210e+00 2.54 -4.910443916e+00 -4.910443916e+00 2.56 -5.040940169e+00 -5.040940169e+00 2.58 -5.156329521e+00 -5.156329521e+00 2.60 -5.257773132e+00 -5.257773132e+00 2.62 -5.346351583e+00 -5.346351583e+00 2.64 -5.423073083e+00 -5.423073083e+00 2.66 -5.488823528e+00 -5.488823528e+00 2.68 -5.544080480e+00 -5.544080480e+00 2.70 -5.589202353e+00 -5.589202353e+00 2.72 -5.624586314e+00 -5.624586314e+00 2.74 -5.650643287e+00 -5.650643287e+00 2.76 -5.667778299e+00 -5.667778299e+00 2.78 -5.676376945e+00 -5.676376945e+00 2.80 -5.676798275e+00 -5.676798275e+00 2.82 -5.669373929e+00 -5.669373929e+00 2.84 -5.654412416e+00 -5.654412416e+00 2.86 -5.632206586e+00 -5.632206586e+00 2.88 -5.603042068e+00 -5.603042068e+00 2.90 -5.567204750e+00 -5.567204750e+00 2.92 -5.524986002e+00 -5.524986002e+00 2.94 -5.476685042e+00 -5.476685042e+00 2.96 -5.422608492e+00 -5.422608492e+00 2.98 -5.363118813e+00 -5.363118813e+00 3.00 -5.298724708e+00 -5.298724708e+00 3.02 -5.229588443e+00 -5.229588443e+00 3.04 -5.155812145e+00 -5.155812145e+00 3.06 -5.077522412e+00 -5.077522412e+00 3.08 -4.994862510e+00 -4.994862510e+00 3.10 -4.907987619e+00 -4.907987619e+00 3.12 -4.817063566e+00 -4.817063566e+00 3.14 -4.722269278e+00 -4.722269278e+00 3.16 -4.623803246e+00 -4.623803246e+00 3.18 -4.521901547e+00 -4.521901547e+00 3.20 -4.416843436e+00 -4.416843436e+00 3.22 -4.308953939e+00 -4.308953939e+00 3.24 -4.198611913e+00 -4.198611913e+00 3.26 -4.086253465e+00 -4.086253465e+00 3.28 -3.972369157e+00 -3.972369157e+00 3.30 -3.857494067e+00 -3.857494067e+00 3.32 -3.742190884e+00 -3.742190884e+00 3.34 -3.627027347e+00 -3.627027347e+00 3.36 -3.512550413e+00 -3.512550413e+00 3.38 -3.399260178e+00 -3.399260178e+00 3.40 -3.287586678e+00 -3.287586678e+00 3.42 -3.177872185e+00 -3.177872185e+00 3.44 -3.070360677e+00 -3.070360677e+00 3.46 -2.965195014e+00 -2.965195014e+00 3.48 -2.862421271e+00 -2.862421271e+00 3.50 -2.761998917e+00 -2.761998917e+00 3.52 -2.663815119e+00 -2.663815119e+00 3.54 -2.567701455e+00 -2.567701455e+00 3.56 -2.473451529e+00 -2.473451529e+00 3.58 -2.380838399e+00 -2.380838399e+00 3.60 -2.289631102e+00 -2.289631102e+00 3.62 -2.199609903e+00 -2.199609903e+00 3.64 -2.110580097e+00 -2.110580097e+00 3.66 -2.022384262e+00 -2.022384262e+00 3.68 -1.934912849e+00 -1.934912849e+00 3.70 -1.848112867e+00 -1.848112867e+00 3.72 -1.761994271e+00 -1.761994271e+00 3.74 -1.676633559e+00 -1.676633559e+00 3.76 -1.592173996e+00 -1.592173996e+00 3.78 -1.508821976e+00 -1.508821976e+00 3.80 -1.426839214e+00 -1.426839214e+00 3.82 -1.346530841e+00 -1.346530841e+00 3.84 -1.268229911e+00 -1.268229911e+00 3.86 -1.192279351e+00 -1.192279351e+00 3.88 -1.119012786e+00 -1.119012786e+00 3.90 -1.048735924e+00 -1.048735924e+00 3.92 -9.817102004e-01 -9.817102004e-01 3.94 -9.181400673e-01 -9.181400673e-01 3.96 -8.581648632e-01 -8.581648632e-01 3.98 -8.018555772e-01 -8.018555772e-01 4.00 -7.492162351e-01 -7.492162351e-01 4.02 -7.001891715e-01 -7.001891715e-01 4.04 -6.546631626e-01 -6.546631626e-01 4.06 -6.124833045e-01 -6.124833045e-01 4.08 -5.734615914e-01 -5.734615914e-01 4.10 -5.373873312e-01 -5.373873312e-01 4.12 -5.040367753e-01 -5.040367753e-01 4.14 -4.731815481e-01 -4.731815481e-01 4.16 -4.445957158e-01 -4.445957158e-01 4.18 -4.180614400e-01 -4.180614400e-01 4.20 -3.933733016e-01 -3.933733016e-01 4.22 -3.703414255e-01 -3.703414255e-01 4.24 -3.487935653e-01 -3.487935653e-01 4.26 -3.285763033e-01 -3.285763033e-01 4.28 -3.095555031e-01 -3.095555031e-01 4.30 -2.916161330e-01 -2.916161330e-01 4.32 -2.746615525e-01 -2.746615525e-01 4.34 -2.586123383e-01 -2.586123383e-01 4.36 -2.434047123e-01 -2.434047123e-01 4.38 -2.289886294e-01 -2.289886294e-01 4.40 -2.153255873e-01 -2.153255873e-01 4.42 -2.023862346e-01 -2.023862346e-01 4.44 -1.901478507e-01 -1.901478507e-01 4.46 -1.785916643e-01 -1.785916643e-01 4.48 -1.677010359e-01 -1.677010359e-01 4.50 -1.574590732e-01 -1.574590732e-01 4.52 -1.478468698e-01 -1.478468698e-01 4.54 -1.388423750e-01 -1.388423750e-01 4.56 -1.304196317e-01 -1.304196317e-01 4.58 -1.225489939e-01 -1.225489939e-01 4.60 -1.151974322e-01 -1.151974322e-01 4.62 -1.083290160e-01 -1.083290160e-01 4.64 -1.019058509e-01 -1.019058509e-01 4.66 -9.588910520e-02 -9.588910520e-02 4.68 -9.024002933e-02 -9.024002933e-02 4.70 -8.492089886e-02 -8.492089886e-02 4.72 -7.989583663e-02 -7.989583663e-02 4.74 -7.513149421e-02 -7.513149421e-02 4.76 -7.059759035e-02 -7.059759035e-02 4.78 -6.626731448e-02 -6.626731448e-02 4.80 -6.211760700e-02 -6.211760700e-02 4.82 -5.812933150e-02 -5.812933150e-02 4.84 -5.428733637e-02 -5.428733637e-02 4.86 -5.058042259e-02 -5.058042259e-02 4.88 -4.700119926e-02 -4.700119926e-02 4.90 -4.354583331e-02 -4.354583331e-02 4.92 -4.021368900e-02 -4.021368900e-02 4.94 -3.700685456e-02 -3.700685456e-02 4.96 -3.392956763e-02 -3.392956763e-02 4.98 -3.098756468e-02 -3.098756468e-02 5.00 -2.818738271e-02 -2.818738271e-02 5.02 -2.553564817e-02 -2.553564817e-02 5.04 -2.303841140e-02 -2.303841140e-02 5.06 -2.070056689e-02 -2.070056689e-02 5.08 -1.852539651e-02 -1.852539651e-02 5.10 -1.651412059e-02 -1.651412059e-02 5.12 -1.466581562e-02 -1.466581562e-02 5.14 -1.297790410e-02 -1.297790410e-02 5.16 -1.144581794e-02 -1.144581794e-02 5.18 -1.006323261e-02 -1.006323261e-02 5.20 -8.822389736e-03 -8.822389736e-03 5.22 -7.714452810e-03 -7.714452810e-03 5.24 -6.729864950e-03 -6.729864950e-03 5.26 -5.858684542e-03 -5.858684542e-03 5.28 -5.090881836e-03 -5.090881836e-03 5.30 -4.416586843e-03 -4.416586843e-03 5.32 -3.826285016e-03 -3.826285016e-03 5.34 -3.310961982e-03 -3.310961982e-03 5.36 -2.862201791e-03 -2.862201791e-03 5.38 -2.472245068e-03 -2.472245068e-03 5.40 -2.134014209e-03 -2.134014209e-03 5.42 -1.841112756e-03 -1.841112756e-03 5.44 -1.587805526e-03 -1.587805526e-03 5.46 -1.368985231e-03 -1.368985231e-03 5.48 -1.180130362e-03 -1.180130362e-03 5.50 -1.017258146e-03 -1.017258146e-03 5.52 -8.768755059e-04 -8.768755059e-04 5.54 -7.559301790e-04 -7.559301790e-04 5.56 -6.517635013e-04 -6.517635013e-04 5.58 -5.620658669e-04 -5.620658669e-04 5.60 -4.848354563e-04 -4.848354563e-04 5.62 -4.183405357e-04 -4.183405357e-04 5.64 -3.610854084e-04 -3.610854084e-04 5.66 -3.117799507e-04 -3.117799507e-04 5.68 -2.693125602e-04 -2.693125602e-04 5.70 -2.327262882e-04 -2.327262882e-04 5.72 -2.011978898e-04 -2.011978898e-04 5.74 -1.740195170e-04 -1.740195170e-04 5.76 -1.505827789e-04 -1.505827789e-04 5.78 -1.303649064e-04 -1.303649064e-04 5.80 -1.129167731e-04 -1.129167731e-04 5.82 -9.785254680e-05 -9.785254680e-05 5.84 -8.484076413e-05 -8.484076413e-05 5.86 -7.359664477e-05 -7.359664477e-05 5.88 -6.387548019e-05 -6.387548019e-05 5.90 -5.546695268e-05 -5.546695268e-05 5.92 -4.819025716e-05 -4.819025716e-05 5.94 -4.188991487e-05 -4.188991487e-05 5.96 -3.643218243e-05 -3.643218243e-05 5.98 -3.170197252e-05 -3.170197252e-05 6.00 -2.760021381e-05 -2.760021381e-05