# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Liu-Z-Li-B-Guo-Y-et-al--Mo-Re # implementation = 2025--Liu-Z--Mo-Re--LAMMPS--ipr1 # composition = MoRe2 # 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 2025-12-17 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 5.236281776e+03 0.82 4.591123335e+03 0.84 4.033135831e+03 0.86 3.549641978e+03 0.88 3.130645699e+03 0.90 2.766120853e+03 0.92 2.448593173e+03 0.94 2.171669541e+03 0.96 1.929798793e+03 0.98 1.717759907e+03 1.00 1.531596631e+03 1.02 1.367702829e+03 1.04 1.223069430e+03 1.06 1.095954053e+03 1.08 9.836542022e+02 1.10 8.839769510e+02 1.12 7.952789799e+02 1.14 7.162398807e+02 1.16 6.454881220e+02 1.18 5.821916722e+02 1.20 5.254764852e+02 1.22 4.746465173e+02 1.24 4.292067186e+02 1.26 3.883276351e+02 1.28 3.514483932e+02 1.30 3.182323817e+02 1.32 2.882920152e+02 1.34 2.613217925e+02 1.36 2.369581830e+02 1.38 2.149182704e+02 1.40 1.949468317e+02 1.42 1.768116765e+02 1.44 1.603112815e+02 1.46 1.452629018e+02 1.48 1.315607541e+02 1.50 1.189481488e+02 1.52 1.073990166e+02 1.54 9.681973192e+01 1.56 8.712821258e+01 1.58 7.825165095e+01 1.60 7.012196857e+01 1.62 6.267304299e+01 1.64 5.584639876e+01 1.66 4.959107509e+01 1.68 4.390210466e+01 1.70 3.864841807e+01 1.72 3.385486003e+01 1.74 2.948664256e+01 1.76 2.553415125e+01 1.78 2.198580185e+01 1.80 1.880314859e+01 1.82 1.595055014e+01 1.84 1.339467088e+01 1.86 1.110427411e+01 1.88 9.050060550e+00 1.90 7.245483321e+00 1.92 5.630957776e+00 1.94 4.182441108e+00 1.96 2.879200769e+00 1.98 1.700580821e+00 2.00 6.568419577e-01 2.02 -6.213238026e-02 2.04 -5.973136546e-01 2.06 -1.089986860e+00 2.08 -1.546738483e+00 2.10 -1.973185125e+00 2.12 -2.373248337e+00 2.14 -2.750161751e+00 2.16 -3.106690527e+00 2.18 -3.445048657e+00 2.20 -3.766674456e+00 2.22 -4.071051689e+00 2.24 -4.355730740e+00 2.26 -4.620753220e+00 2.28 -4.865776308e+00 2.30 -5.089807223e+00 2.32 -5.291143194e+00 2.34 -5.468112414e+00 2.36 -5.620341507e+00 2.38 -5.749393756e+00 2.40 -5.856906045e+00 2.42 -5.944415862e+00 2.44 -6.013766373e+00 2.46 -6.067050114e+00 2.48 -6.105885485e+00 2.50 -6.131854756e+00 2.52 -6.146964312e+00 2.54 -6.152564959e+00 2.56 -6.149470722e+00 2.58 -6.138443935e+00 2.60 -6.120199555e+00 2.62 -6.060230820e+00 2.64 -6.037279655e+00 2.66 -6.006605220e+00 2.68 -5.968657725e+00 2.70 -5.923865389e+00 2.72 -5.872708647e+00 2.74 -5.816193829e+00 2.76 -5.755535280e+00 2.78 -5.691914861e+00 2.80 -5.626513875e+00 2.82 -5.560223529e+00 2.84 -5.493777678e+00 2.86 -5.427888326e+00 2.88 -5.363192088e+00 2.90 -5.299769470e+00 2.92 -5.237317410e+00 2.94 -5.175526270e+00 2.96 -5.114095629e+00 2.98 -5.052737595e+00 3.00 -4.991155363e+00 3.02 -4.929009453e+00 3.04 -4.865954977e+00 3.06 -4.801716461e+00 3.08 -4.736167250e+00 3.10 -4.669338382e+00 3.12 -4.601307756e+00 3.14 -4.532151465e+00 3.16 -4.461943822e+00 3.18 -4.390757431e+00 3.20 -4.318663241e+00 3.22 -4.245730601e+00 3.24 -4.172027319e+00 3.26 -4.097619713e+00 3.28 -4.022572665e+00 3.30 -3.946949665e+00 3.32 -3.870812866e+00 3.34 -3.794223127e+00 3.36 -3.717240056e+00 3.38 -3.639922058e+00 3.40 -3.562326376e+00 3.42 -3.484509129e+00 3.44 -3.406525356e+00 3.46 -3.328429048e+00 3.48 -3.250273191e+00 3.50 -3.172109799e+00 3.52 -3.093995019e+00 3.54 -3.016061760e+00 3.56 -2.938500932e+00 3.58 -2.861501064e+00 3.60 -2.785246757e+00 3.62 -2.709918796e+00 3.64 -2.635671613e+00 3.66 -2.562562073e+00 3.68 -2.490621447e+00 3.70 -2.419880597e+00 3.72 -2.350369984e+00 3.74 -2.282119676e+00 3.76 -2.215159350e+00 3.78 -2.149518293e+00 3.80 -2.085225396e+00 3.82 -2.022309155e+00 3.84 -1.960797645e+00 3.86 -1.900718509e+00 3.88 -1.842098928e+00 3.90 -1.784965592e+00 3.92 -1.729344657e+00 3.94 -1.675261659e+00 3.96 -1.622722204e+00 3.98 -1.571678738e+00 4.00 -1.522075257e+00 4.02 -1.473856464e+00 4.04 -1.426967444e+00 4.06 -1.381353555e+00 4.08 -1.336960205e+00 4.10 -1.293732564e+00 4.12 -1.251615269e+00 4.14 -1.210552094e+00 4.16 -1.170485589e+00 4.18 -1.131356625e+00 4.20 -1.093103829e+00 4.22 -1.055662925e+00 4.24 -1.018967043e+00 4.26 -9.829475119e-01 4.28 -9.475292184e-01 4.30 -9.126327709e-01 4.32 -8.781709542e-01 4.34 -8.440461334e-01 4.36 -8.102054626e-01 4.38 -7.766261038e-01 4.40 -7.433061813e-01 4.42 -7.102269186e-01 4.44 -6.773705569e-01 4.46 -6.448131114e-01 4.48 -6.120639684e-01 4.50 -5.797181132e-01 4.52 -5.486267373e-01 4.54 -5.195751924e-01 4.56 -4.918031852e-01 4.58 -4.630391022e-01 4.60 -4.321002044e-01 4.62 -3.986199839e-01 4.64 -3.626566992e-01 4.66 -3.254509920e-01 4.68 -2.897769864e-01 4.70 -2.571088420e-01 4.72 -2.256151295e-01 4.74 -1.941892443e-01 4.76 -1.628974212e-01 4.78 -1.334148630e-01 4.80 -1.073298182e-01 4.82 -8.520647512e-02 4.84 -6.701843215e-02 4.86 -5.243769872e-02 4.88 -4.101022370e-02 4.90 -3.225270129e-02 4.92 -2.569777094e-02 4.94 -2.090804825e-02 4.96 -1.747369787e-02 4.98 -1.500190006e-02 5.00 -6.313404476e-03 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00