# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Pan-Z-Borovikov-V-Mendelev-M-I-Sansoz-F--Ag-Ni # implementation = 2018--Pan-Z--Ag-Ni--LAMMPS--ipr1 # composition = Ag2Ni # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 2.182208776e+04 1.04 1.954804316e+04 1.06 1.744489368e+04 1.08 1.549695873e+04 1.10 1.369030328e+04 1.12 1.201234990e+04 1.14 1.045183297e+04 1.16 8.998724139e+03 1.18 7.644051690e+03 1.20 6.379752821e+03 1.22 5.201718188e+03 1.24 4.200676026e+03 1.26 3.384881909e+03 1.28 2.715071208e+03 1.30 2.163069389e+03 1.32 1.723781609e+03 1.34 1.377193703e+03 1.36 1.103179933e+03 1.38 8.861082690e+02 1.40 7.138061532e+02 1.42 5.767692885e+02 1.44 4.675613630e+02 1.46 3.803520535e+02 1.48 3.105554569e+02 1.50 2.545543396e+02 1.52 2.094978850e+02 1.54 1.731519749e+02 1.56 1.437592716e+02 1.58 1.199305861e+02 1.60 1.005525441e+02 1.62 8.473219375e+01 1.64 7.176200126e+01 1.66 6.108098848e+01 1.68 5.223915567e+01 1.70 4.487405060e+01 1.72 3.869454605e+01 1.74 3.346958314e+01 1.76 2.901791666e+01 1.78 2.519894026e+01 1.80 2.190564367e+01 1.82 1.905598074e+01 1.84 1.658561569e+01 1.86 1.444229199e+01 1.88 1.258135413e+01 1.90 1.096267516e+01 1.92 9.549187097e+00 1.94 8.306322009e+00 1.96 7.202968500e+00 1.98 6.213799201e+00 2.00 5.319558124e+00 2.02 4.504732138e+00 2.04 3.757093720e+00 2.06 3.068023932e+00 2.08 2.432606794e+00 2.10 1.848288234e+00 2.12 1.313057828e+00 2.14 8.245677295e-01 2.16 3.819721151e-01 2.18 -1.516215964e-02 2.20 -3.706410321e-01 2.22 -6.897018453e-01 2.24 -9.762988081e-01 2.26 -1.235529180e+00 2.28 -1.470532840e+00 2.30 -1.683481344e+00 2.32 -1.876148178e+00 2.34 -2.050086908e+00 2.36 -2.206697541e+00 2.38 -2.347151324e+00 2.40 -2.472295886e+00 2.42 -2.584252210e+00 2.44 -2.684107953e+00 2.46 -2.770990847e+00 2.48 -2.843663269e+00 2.50 -2.900186346e+00 2.52 -2.940820116e+00 2.54 -2.966265551e+00 2.56 -2.977653128e+00 2.58 -2.976659480e+00 2.60 -2.965528732e+00 2.62 -2.947006018e+00 2.64 -2.924141983e+00 2.66 -2.899932304e+00 2.68 -2.876775772e+00 2.70 -2.856042931e+00 2.72 -2.838199219e+00 2.74 -2.823083986e+00 2.76 -2.810072246e+00 2.78 -2.798263965e+00 2.80 -2.786643936e+00 2.82 -2.774205109e+00 2.84 -2.760040163e+00 2.86 -2.743409880e+00 2.88 -2.723786804e+00 2.90 -2.700869475e+00 2.92 -2.674577249e+00 2.94 -2.645030504e+00 2.96 -2.612523895e+00 2.98 -2.577532227e+00 3.00 -2.540701818e+00 3.02 -2.502789047e+00 3.04 -2.464562746e+00 3.06 -2.426721842e+00 3.08 -2.389858841e+00 3.10 -2.354434638e+00 3.12 -2.320761640e+00 3.14 -2.288995567e+00 3.16 -2.259136059e+00 3.18 -2.231035898e+00 3.20 -2.204418463e+00 3.22 -2.178902728e+00 3.24 -2.154034858e+00 3.26 -2.129325243e+00 3.28 -2.104289471e+00 3.30 -2.078491566e+00 3.32 -2.051586705e+00 3.34 -2.023335113e+00 3.36 -1.993581221e+00 3.38 -1.962270245e+00 3.40 -1.929467037e+00 3.42 -1.895360355e+00 3.44 -1.860248802e+00 3.46 -1.824505127e+00 3.48 -1.788515176e+00 3.50 -1.752587520e+00 3.52 -1.716849289e+00 3.54 -1.681301187e+00 3.56 -1.645934005e+00 3.58 -1.610738981e+00 3.60 -1.575707859e+00 3.62 -1.540833585e+00 3.64 -1.506111965e+00 3.66 -1.471544674e+00 3.68 -1.437143960e+00 3.70 -1.402937036e+00 3.72 -1.368960315e+00 3.74 -1.335253864e+00 3.76 -1.301860139e+00 3.78 -1.268822930e+00 3.80 -1.236186401e+00 3.82 -1.203994219e+00 3.84 -1.172288810e+00 3.86 -1.141110736e+00 3.88 -1.110498212e+00 3.90 -1.080486751e+00 3.92 -1.051108939e+00 3.94 -1.022394322e+00 3.96 -9.943693790e-01 3.98 -9.670575802e-01 4.00 -9.404794687e-01 4.02 -9.146527530e-01 4.04 -8.895923544e-01 4.06 -8.653103678e-01 4.08 -8.418158779e-01 4.10 -8.191145711e-01 4.12 -7.972081050e-01 4.14 -7.760937227e-01 4.16 -7.557644347e-01 4.18 -7.362090437e-01 4.20 -7.174121471e-01 4.22 -6.993541753e-01 4.24 -6.820114869e-01 4.26 -6.653564815e-01 4.28 -6.493577779e-01 4.30 -6.339804278e-01 4.32 -6.191861608e-01 4.34 -6.049336953e-01 4.36 -5.911790850e-01 4.38 -5.778761075e-01 4.40 -5.649767026e-01 4.42 -5.524314495e-01 4.44 -5.401901012e-01 4.46 -5.282021549e-01 4.48 -5.164174647e-01 4.50 -5.047869013e-01 4.52 -4.932630537e-01 4.54 -4.818009771e-01 4.56 -4.703590167e-01 4.58 -4.588995914e-01 4.60 -4.473899896e-01 4.62 -4.358034256e-01 4.64 -4.241200020e-01 4.66 -4.123272858e-01 4.68 -4.004220423e-01 4.70 -3.884094548e-01 4.72 -3.762981517e-01 4.74 -3.640965408e-01 4.76 -3.518135871e-01 4.78 -3.394597170e-01 4.80 -3.270485670e-01 4.82 -3.145950124e-01 4.84 -3.021206251e-01 4.86 -2.896469166e-01 4.88 -2.772025404e-01 4.90 -2.648219713e-01 4.92 -2.525365531e-01 4.94 -2.403890622e-01 4.96 -2.284288158e-01 4.98 -2.166922575e-01 5.00 -2.052287131e-01 5.02 -1.940979183e-01 5.04 -1.833613646e-01 5.06 -1.729744697e-01 5.08 -1.629566668e-01 5.10 -1.534906837e-01 5.12 -1.447159576e-01 5.14 -1.367193712e-01 5.16 -1.295631877e-01 5.18 -1.233537837e-01 5.20 -1.178124022e-01 5.22 -1.126110798e-01 5.24 -1.075215646e-01 5.26 -1.024729491e-01 5.28 -9.742362918e-02 5.30 -9.235195222e-02 5.32 -8.726049650e-02 5.34 -8.217821532e-02 5.36 -7.695933467e-02 5.38 -7.158983992e-02 5.40 -6.607507317e-02 5.42 -6.042512947e-02 5.44 -5.465423629e-02 5.46 -4.878014734e-02 5.48 -4.282356537e-02 5.50 -3.679004187e-02 5.52 -3.074308975e-02 5.54 -2.477044074e-02 5.56 -1.893504838e-02 5.58 -1.328131223e-02 5.60 -7.840027438e-03 5.62 -2.632273532e-03 5.64 2.327574958e-03 5.66 7.029561171e-03 5.68 1.146645130e-02 5.70 1.563252269e-02 5.72 1.952274241e-02 5.74 2.313225940e-02 5.76 2.645614614e-02 5.78 2.948933704e-02 5.80 3.222672016e-02 5.82 3.466335242e-02 5.84 3.679482995e-02 5.86 3.861767338e-02 5.88 4.012959517e-02 5.90 4.132975146e-02 5.92 4.221898164e-02 5.94 4.280002460e-02 5.96 4.307770265e-02 5.98 4.305906652e-02 6.00 4.275349653e-02