# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = CsId2Rb # 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 2022-05-24 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 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 nan nan 1.42 3.664783200e+06 3.664783200e+06 1.44 2.978750542e+06 2.978750542e+06 1.46 2.428270840e+06 2.428270840e+06 1.48 1.985189158e+06 1.985189158e+06 1.50 1.627475056e+06 1.627475056e+06 1.52 1.337832657e+06 1.337832657e+06 1.54 1.102636819e+06 1.102636819e+06 1.56 9.111210207e+05 9.111210207e+05 1.58 7.547498907e+05 7.547498907e+05 1.60 6.267367481e+05 6.267367481e+05 1.62 5.216690640e+05 5.216690640e+05 1.64 4.352174093e+05 4.352174093e+05 1.66 3.639092817e+05 3.639092817e+05 1.68 3.049517480e+05 3.049517480e+05 1.70 2.560920631e+05 2.560920631e+05 1.72 2.155087787e+05 2.155087787e+05 1.74 1.817252418e+05 1.817252418e+05 1.76 1.535412305e+05 1.535412305e+05 1.78 1.299789530e+05 1.299789530e+05 1.80 1.102399049e+05 1.102399049e+05 1.82 9.367040163e+04 9.367040163e+04 1.84 7.973413177e+04 7.973413177e+04 1.86 6.799008341e+04 6.799008341e+04 1.88 5.807481909e+04 5.807481909e+04 1.90 4.968822482e+04 4.968822482e+04 1.92 4.258186456e+04 4.258186456e+04 1.94 3.654973494e+04 3.654973494e+04 1.96 3.142068209e+04 3.142068209e+04 1.98 2.705217147e+04 2.705217147e+04 2.00 2.332537257e+04 2.332537257e+04 2.02 2.014090607e+04 2.014090607e+04 2.04 1.741558790e+04 1.741558790e+04 2.06 1.507964265e+04 1.507964265e+04 2.08 1.307442694e+04 1.307442694e+04 2.10 1.135059979e+04 1.135059979e+04 2.12 9.866557345e+03 9.866557345e+03 2.14 8.587141818e+03 8.587141818e+03 2.16 7.482629113e+03 7.482629113e+03 2.18 6.527831196e+03 6.527831196e+03 2.20 5.701367139e+03 5.701367139e+03 2.22 4.985070367e+03 4.985070367e+03 2.24 4.363483140e+03 4.363483140e+03 2.26 3.823420773e+03 3.823420773e+03 2.28 3.353619658e+03 3.353619658e+03 2.30 2.944457519e+03 2.944457519e+03 2.32 2.587697305e+03 2.587697305e+03 2.34 2.276273037e+03 2.276273037e+03 2.36 2.004125286e+03 2.004125286e+03 2.38 1.766048389e+03 1.766048389e+03 2.40 1.557558120e+03 1.557558120e+03 2.42 1.374794939e+03 1.374794939e+03 2.44 1.214416763e+03 1.214416763e+03 2.46 1.073546037e+03 1.073546037e+03 2.48 9.496917119e+02 9.496917119e+02 2.50 8.406969225e+02 8.406969225e+02 2.52 7.446882310e+02 7.446882310e+02 2.54 6.600449680e+02 6.600449680e+02 2.56 5.853585191e+02 5.853585191e+02 2.58 5.194021803e+02 5.194021803e+02 2.60 4.611072637e+02 4.611072637e+02 2.62 4.095433272e+02 4.095433272e+02 2.64 3.638987061e+02 3.638987061e+02 2.66 3.234627383e+02 3.234627383e+02 2.68 2.876152000e+02 2.876152000e+02 2.70 2.558131561e+02 2.558131561e+02 2.72 2.275808234e+02 2.275808234e+02 2.74 2.025002783e+02 2.025002783e+02 2.76 1.802056850e+02 1.802056850e+02 2.78 1.603761353e+02 1.603761353e+02 2.80 1.427288261e+02 1.427288261e+02 2.82 1.270148798e+02 1.270148798e+02 2.84 1.130149525e+02 1.130149525e+02 2.86 1.005354321e+02 1.005354321e+02 2.88 8.940679075e+01 8.940679075e+01 2.90 7.947783189e+01 7.947783189e+01 2.92 7.061671136e+01 7.061671136e+01 2.94 6.270470864e+01 6.270470864e+01 2.96 5.563768532e+01 5.563768532e+01 2.98 4.932340018e+01 4.932340018e+01 3.00 4.368008791e+01 4.368008791e+01 3.02 3.863521540e+01 3.863521540e+01 3.04 3.412327421e+01 3.412327421e+01 3.06 3.008804253e+01 3.008804253e+01 3.08 2.647900971e+01 2.647900971e+01 3.10 2.325091533e+01 2.325091533e+01 3.12 2.036347196e+01 2.036347196e+01 3.14 1.778083045e+01 1.778083045e+01 3.16 1.547105611e+01 1.547105611e+01 3.18 1.340544310e+01 1.340544310e+01 3.20 1.155856117e+01 1.155856117e+01 3.22 9.907843678e+00 9.907843678e+00 3.24 8.433002272e+00 8.433002272e+00 3.26 7.115910732e+00 7.115910732e+00 3.28 5.940366800e+00 5.940366800e+00 3.30 4.891885087e+00 4.891885087e+00 3.32 3.957648034e+00 3.957648034e+00 3.34 3.125826249e+00 3.125826249e+00 3.36 2.386079510e+00 2.386079510e+00 3.38 1.729095731e+00 1.729095731e+00 3.40 1.146494746e+00 1.146494746e+00 3.42 6.307839748e-01 6.307839748e-01 3.44 1.752838246e-01 1.752838246e-01 3.46 -2.264792619e-01 -2.264792619e-01 3.48 -5.797171899e-01 -5.797171899e-01 3.50 -8.890196441e-01 -8.890196441e-01 3.52 -1.158797306e+00 -1.158797306e+00 3.54 -1.393049049e+00 -1.393049049e+00 3.56 -1.595374599e+00 -1.595374599e+00 3.58 -1.769020959e+00 -1.769020959e+00 3.60 -1.916922395e+00 -1.916922395e+00 3.62 -2.041732627e+00 -2.041732627e+00 3.64 -2.145853341e+00 -2.145853341e+00 3.66 -2.231459435e+00 -2.231459435e+00 3.68 -2.300687043e+00 -2.300687043e+00 3.70 -2.355134373e+00 -2.355134373e+00 3.72 -2.396405777e+00 -2.396405777e+00 3.74 -2.425973996e+00 -2.425973996e+00 3.76 -2.445174817e+00 -2.445174817e+00 3.78 -2.455217844e+00 -2.455217844e+00 3.80 -2.457231787e+00 -2.457231787e+00 3.82 -2.452205799e+00 -2.452205799e+00 3.84 -2.441010672e+00 -2.441010672e+00 3.86 -2.424420322e+00 -2.424420322e+00 3.88 -2.403156420e+00 -2.403156420e+00 3.90 -2.377870258e+00 -2.377870258e+00 3.92 -2.349144580e+00 -2.349144580e+00 3.94 -2.317493913e+00 -2.317493913e+00 3.96 -2.283387324e+00 -2.283387324e+00 3.98 -2.247236555e+00 -2.247236555e+00 4.00 -2.209403604e+00 -2.209403604e+00 4.02 -2.170207164e+00 -2.170207164e+00 4.04 -2.129926696e+00 -2.129926696e+00 4.06 -2.088802155e+00 -2.088802155e+00 4.08 -2.047048586e+00 -2.047048586e+00 4.10 -2.004851942e+00 -2.004851942e+00 4.12 -1.962454252e+00 -1.962454252e+00 4.14 -1.919931098e+00 -1.919931098e+00 4.16 -1.877358659e+00 -1.877358659e+00 4.18 -1.834837327e+00 -1.834837327e+00 4.20 -1.792452243e+00 -1.792452243e+00 4.22 -1.750275355e+00 -1.750275355e+00 4.24 -1.708367256e+00 -1.708367256e+00 4.26 -1.666778844e+00 -1.666778844e+00 4.28 -1.625552784e+00 -1.625552784e+00 4.30 -1.584724798e+00 -1.584724798e+00 4.32 -1.544324790e+00 -1.544324790e+00 4.34 -1.504377812e+00 -1.504377812e+00 4.36 -1.464904895e+00 -1.464904895e+00 4.38 -1.425923751e+00 -1.425923751e+00 4.40 -1.387449353e+00 -1.387449353e+00 4.42 -1.349494424e+00 -1.349494424e+00 4.44 -1.312069828e+00 -1.312069828e+00 4.46 -1.275184892e+00 -1.275184892e+00 4.48 -1.238847658e+00 -1.238847658e+00 4.50 -1.203285713e+00 -1.203285713e+00 4.52 -1.168315415e+00 -1.168315415e+00 4.54 -1.133856272e+00 -1.133856272e+00 4.56 -1.099922137e+00 -1.099922137e+00 4.58 -1.066524837e+00 -1.066524837e+00 4.60 -1.033674368e+00 -1.033674368e+00 4.62 -1.001379084e+00 -1.001379084e+00 4.64 -9.696458576e-01 -9.696458576e-01 4.66 -9.384800331e-01 -9.384800331e-01 4.68 -9.078845650e-01 -9.078845650e-01 4.70 -8.778645718e-01 -8.778645718e-01 4.72 -8.484223247e-01 -8.484223247e-01 4.74 -8.195592328e-01 -8.195592328e-01 4.76 -7.912759340e-01 -7.912759340e-01 4.78 -7.635723791e-01 -7.635723791e-01 4.80 -7.364479096e-01 -7.364479096e-01 4.82 -7.099013290e-01 -7.099013290e-01 4.84 -6.839309697e-01 -6.839309697e-01 4.86 -6.585347544e-01 -6.585347544e-01 4.88 -6.337102540e-01 -6.337102540e-01 4.90 -6.094547402e-01 -6.094547402e-01 4.92 -5.857652353e-01 -5.857652353e-01 4.94 -5.626385571e-01 -5.626385571e-01 4.96 -5.400705423e-01 -5.400705423e-01 4.98 -5.180566307e-01 -5.180566307e-01 5.00 -4.965955004e-01 -4.965955004e-01 5.02 -4.756834833e-01 -4.756834833e-01 5.04 -4.553168715e-01 -4.553168715e-01 5.06 -4.354919348e-01 -4.354919348e-01 5.08 -4.162049342e-01 -4.162049342e-01 5.10 -3.974521285e-01 -3.974521285e-01 5.12 -3.792297778e-01 -3.792297778e-01 5.14 -3.615341403e-01 -3.615341403e-01 5.16 -3.443614645e-01 -3.443614645e-01 5.18 -3.277090689e-01 -3.277090689e-01 5.20 -3.115730819e-01 -3.115730819e-01 5.22 -2.959483377e-01 -2.959483377e-01 5.24 -2.808309003e-01 -2.808309003e-01 5.26 -2.662167179e-01 -2.662167179e-01 5.28 -2.521015919e-01 -2.521015919e-01 5.30 -2.384811446e-01 -2.384811446e-01 5.32 -2.253507850e-01 -2.253507850e-01 5.34 -2.127056747e-01 -2.127056747e-01 5.36 -2.005406937e-01 -2.005406937e-01 5.38 -1.888504075e-01 -1.888504075e-01 5.40 -1.776305601e-01 -1.776305601e-01 5.42 -1.668806074e-01 -1.668806074e-01 5.44 -1.565856828e-01 -1.565856828e-01 5.46 -1.467389280e-01 -1.467389280e-01 5.48 -1.373330379e-01 -1.373330379e-01 5.50 -1.283602489e-01 -1.283602489e-01 5.52 -1.198123327e-01 -1.198123327e-01 5.54 -1.116805958e-01 -1.116805958e-01 5.56 -1.039558838e-01 -1.039558838e-01 5.58 -9.662859245e-02 -9.662859245e-02 5.60 -8.968868327e-02 -8.968868327e-02 5.62 -8.312570506e-02 -8.312570506e-02 5.64 -7.692882037e-02 -7.692882037e-02 5.66 -7.108683670e-02 -7.108683670e-02 5.68 -6.558824204e-02 -6.558824204e-02 5.70 -6.042124418e-02 -6.042124418e-02 5.72 -5.557381319e-02 -5.557381319e-02 5.74 -5.103372657e-02 -5.103372657e-02 5.76 -4.678861633e-02 -4.678861633e-02 5.78 -4.282601735e-02 -4.282601735e-02 5.80 -3.913341645e-02 -3.913341645e-02 5.82 -3.569830142e-02 -3.569830142e-02 5.84 -3.250820945e-02 -3.250820945e-02 5.86 -2.955077435e-02 -2.955077435e-02 5.88 -2.682203591e-02 -2.682203591e-02 5.90 -2.432373693e-02 -2.432373693e-02 5.92 -2.201689631e-02 -2.201689631e-02 5.94 -1.989064284e-02 -1.989064284e-02 5.96 -1.793432664e-02 -1.793432664e-02 5.98 -1.613755658e-02 -1.613755658e-02 6.00 -1.449023366e-02 -1.449023366e-02