# 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 = FIdK2 # 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 2.814823838e+06 2.814823838e+06 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 1.209320543e+06 1.209320543e+06 1.40 9.864269989e+05 9.864269989e+05 1.42 8.068844731e+05 8.068844731e+05 1.44 6.618270306e+05 6.618270306e+05 1.46 5.442890932e+05 5.442890932e+05 1.48 4.487799281e+05 4.487799281e+05 1.50 3.709572102e+05 3.709572102e+05 1.52 3.073759655e+05 3.073759655e+05 1.54 2.552946739e+05 2.552946739e+05 1.56 2.125253621e+05 2.125253621e+05 1.58 1.773164877e+05 1.773164877e+05 1.60 1.482620693e+05 1.482620693e+05 1.62 1.242303519e+05 1.242303519e+05 1.64 1.043077232e+05 1.043077232e+05 1.66 8.775510752e+04 8.775510752e+04 1.68 7.397284199e+04 7.397284199e+04 1.70 6.247310379e+04 6.247310379e+04 1.72 5.285822695e+04 5.285822695e+04 1.74 4.480323753e+04 4.480323753e+04 1.76 3.804189279e+04 3.804189279e+04 1.78 3.235567182e+04 3.235567182e+04 1.80 2.756478536e+04 2.756478536e+04 1.82 2.352099024e+04 2.352099024e+04 1.84 2.010178137e+04 2.010178137e+04 1.86 1.720571193e+04 1.720571193e+04 1.88 1.474863804e+04 1.474863804e+04 1.90 1.266061120e+04 1.266061120e+04 1.92 1.088336524e+04 1.088336524e+04 1.94 9.368298621e+03 9.368298621e+03 1.96 8.074775247e+03 8.074775247e+03 1.98 6.968766108e+03 6.968766108e+03 2.00 6.021723281e+03 6.021723281e+03 2.02 5.209655649e+03 5.209655649e+03 2.04 4.512368188e+03 4.512368188e+03 2.06 3.912835407e+03 3.912835407e+03 2.08 3.396680064e+03 3.396680064e+03 2.10 2.951739587e+03 2.951739587e+03 2.12 2.567701688e+03 2.567701688e+03 2.14 2.235830744e+03 2.235830744e+03 2.16 1.948709234e+03 1.948709234e+03 2.18 1.700015403e+03 1.700015403e+03 2.20 1.484361909e+03 1.484361909e+03 2.22 1.297153555e+03 1.297153555e+03 2.24 1.134464589e+03 1.134464589e+03 2.26 9.929356049e+02 9.929356049e+02 2.28 8.696896790e+02 8.696896790e+02 2.30 7.622589636e+02 7.622589636e+02 2.32 6.685246136e+02 6.685246136e+02 2.34 5.866641763e+02 5.866641763e+02 2.36 5.151082504e+02 5.151082504e+02 2.38 4.525049431e+02 4.525049431e+02 2.40 3.976877939e+02 3.976877939e+02 2.42 3.496438811e+02 3.496438811e+02 2.44 3.075075406e+02 3.075075406e+02 2.46 2.705252435e+02 2.705252435e+02 2.48 2.380430399e+02 2.380430399e+02 2.50 2.094934730e+02 2.094934730e+02 2.52 1.843836694e+02 1.843836694e+02 2.54 1.622857400e+02 1.622857400e+02 2.56 1.428265113e+02 1.428265113e+02 2.58 1.256812445e+02 1.256812445e+02 2.60 1.105659361e+02 1.105659361e+02 2.62 9.723430013e+01 9.723430013e+01 2.64 8.547079516e+01 8.547079516e+01 2.66 7.508660388e+01 7.508660388e+01 2.68 6.591649227e+01 6.591649227e+01 2.70 5.781574817e+01 5.781574817e+01 2.72 5.065752667e+01 5.065752667e+01 2.74 4.433038456e+01 4.433038456e+01 2.76 3.873668118e+01 3.873668118e+01 2.78 3.379072336e+01 3.379072336e+01 2.80 2.941721187e+01 2.941721187e+01 2.82 2.554965594e+01 2.554965594e+01 2.84 2.212947569e+01 2.212947569e+01 2.86 1.910515357e+01 1.910515357e+01 2.88 1.643044043e+01 1.643044043e+01 2.90 1.406619162e+01 1.406619162e+01 2.92 1.197707934e+01 1.197707934e+01 2.94 1.013186138e+01 1.013186138e+01 2.96 8.502896539e+00 8.502896539e+00 2.98 7.065739481e+00 7.065739481e+00 3.00 5.798776527e+00 5.798776527e+00 3.02 4.682874884e+00 4.682874884e+00 3.04 3.701088934e+00 3.701088934e+00 3.06 2.838384329e+00 2.838384329e+00 3.08 2.081429322e+00 2.081429322e+00 3.10 1.418466492e+00 1.418466492e+00 3.12 8.390110334e-01 8.390110334e-01 3.14 3.337533178e-01 3.337533178e-01 3.16 -1.055769076e-01 -1.055769076e-01 3.18 -4.864817078e-01 -4.864817078e-01 3.20 -8.154555993e-01 -8.154555993e-01 3.22 -1.098195648e+00 -1.098195648e+00 3.24 -1.339829871e+00 -1.339829871e+00 3.26 -1.544979162e+00 -1.544979162e+00 3.28 -1.717759865e+00 -1.717759865e+00 3.30 -1.861840655e+00 -1.861840655e+00 3.32 -1.980492828e+00 -1.980492828e+00 3.34 -2.076702778e+00 -2.076702778e+00 3.36 -2.153112958e+00 -2.153112958e+00 3.38 -2.211898543e+00 -2.211898543e+00 3.40 -2.255147044e+00 -2.255147044e+00 3.42 -2.284722409e+00 -2.284722409e+00 3.44 -2.302292535e+00 -2.302292535e+00 3.46 -2.309349031e+00 -2.309349031e+00 3.48 -2.307225443e+00 -2.307225443e+00 3.50 -2.297115082e+00 -2.297115082e+00 3.52 -2.280082508e+00 -2.280082508e+00 3.54 -2.257155193e+00 -2.257155193e+00 3.56 -2.229128678e+00 -2.229128678e+00 3.58 -2.196744194e+00 -2.196744194e+00 3.60 -2.160691128e+00 -2.160691128e+00 3.62 -2.121585925e+00 -2.121585925e+00 3.64 -2.079986002e+00 -2.079986002e+00 3.66 -2.036379044e+00 -2.036379044e+00 3.68 -1.991200674e+00 -1.991200674e+00 3.70 -1.944965280e+00 -1.944965280e+00 3.72 -1.897865736e+00 -1.897865736e+00 3.74 -1.850212343e+00 -1.850212343e+00 3.76 -1.802278383e+00 -1.802278383e+00 3.78 -1.754447590e+00 -1.754447590e+00 3.80 -1.706784657e+00 -1.706784657e+00 3.82 -1.659458676e+00 -1.659458676e+00 3.84 -1.612614996e+00 -1.612614996e+00 3.86 -1.566387350e+00 -1.566387350e+00 3.88 -1.520887762e+00 -1.520887762e+00 3.90 -1.476208479e+00 -1.476208479e+00 3.92 -1.432423765e+00 -1.432423765e+00 3.94 -1.389591326e+00 -1.389591326e+00 3.96 -1.347753991e+00 -1.347753991e+00 3.98 -1.306942778e+00 -1.306942778e+00 4.00 -1.267176047e+00 -1.267176047e+00 4.02 -1.228461795e+00 -1.228461795e+00 4.04 -1.190798943e+00 -1.190798943e+00 4.06 -1.154178570e+00 -1.154178570e+00 4.08 -1.118585068e+00 -1.118585068e+00 4.10 -1.083997228e+00 -1.083997228e+00 4.12 -1.050389260e+00 -1.050389260e+00 4.14 -1.017731729e+00 -1.017731729e+00 4.16 -9.859924288e-01 -9.859924288e-01 4.18 -9.551371680e-01 -9.551371680e-01 4.20 -9.251304900e-01 -9.251304900e-01 4.22 -8.959363112e-01 -8.959363112e-01 4.24 -8.675184870e-01 -8.675184870e-01 4.26 -8.398413050e-01 -8.398413050e-01 4.28 -8.128699088e-01 -8.128699088e-01 4.30 -7.865706545e-01 -7.865706545e-01 4.32 -7.609246534e-01 -7.609246534e-01 4.34 -7.359856822e-01 -7.359856822e-01 4.36 -7.116058214e-01 -7.116058214e-01 4.38 -6.877621318e-01 -6.877621318e-01 4.40 -6.644333712e-01 -6.644333712e-01 4.42 -6.416000840e-01 -6.416000840e-01 4.44 -6.192446644e-01 -6.192446644e-01 4.46 -5.973513869e-01 -5.973513869e-01 4.48 -5.759064072e-01 -5.759064072e-01 4.50 -5.549844423e-01 -5.549844423e-01 4.52 -5.345004620e-01 -5.345004620e-01 4.54 -5.144124173e-01 -5.144124173e-01 4.56 -4.947173250e-01 -4.947173250e-01 4.58 -4.754132085e-01 -4.754132085e-01 4.60 -4.564990539e-01 -4.564990539e-01 4.62 -4.380455672e-01 -4.380455672e-01 4.64 -4.201254976e-01 -4.201254976e-01 4.66 -4.025661232e-01 -4.025661232e-01 4.68 -3.853732931e-01 -3.853732931e-01 4.70 -3.685530589e-01 -3.685530589e-01 4.72 -3.521116015e-01 -3.521116015e-01 4.74 -3.360551521e-01 -3.360551521e-01 4.76 -3.203899071e-01 -3.203899071e-01 4.78 -3.051219404e-01 -3.051219404e-01 4.80 -2.902571142e-01 -2.902571142e-01 4.82 -2.758009753e-01 -2.758009753e-01 4.84 -2.617582374e-01 -2.617582374e-01 4.86 -2.481341291e-01 -2.481341291e-01 4.88 -2.349327776e-01 -2.349327776e-01 4.90 -2.221576758e-01 -2.221576758e-01 4.92 -2.098116120e-01 -2.098116120e-01 4.94 -1.978966078e-01 -1.978966078e-01 4.96 -1.864136917e-01 -1.864136917e-01 4.98 -1.753630197e-01 -1.753630197e-01 5.00 -1.647468117e-01 -1.647468117e-01 5.02 -1.545608008e-01 -1.545608008e-01 5.04 -1.448025980e-01 -1.448025980e-01 5.06 -1.354688652e-01 -1.354688652e-01 5.08 -1.265553208e-01 -1.265553208e-01 5.10 -1.180567558e-01 -1.180567558e-01 5.12 -1.099670590e-01 -1.099670590e-01 5.14 -1.022792508e-01 -1.022792508e-01 5.16 -9.498552511e-02 -9.498552511e-02 5.18 -8.807729849e-02 -8.807729849e-02 5.20 -8.154526580e-02 -8.154526580e-02 5.22 -7.537946101e-02 -7.537946101e-02 5.24 -6.956932257e-02 -6.956932257e-02 5.26 -6.410376220e-02 -6.410376220e-02 5.28 -5.897123614e-02 -5.897123614e-02 5.30 -5.415981778e-02 -5.415981778e-02 5.32 -4.965727091e-02 -4.965727091e-02 5.34 -4.545112254e-02 -4.545112254e-02 5.36 -4.152873449e-02 -4.152873449e-02 5.38 -3.787737303e-02 -3.787737303e-02 5.40 -3.448427585e-02 -3.448427585e-02 5.42 -3.133671576e-02 -3.133671576e-02 5.44 -2.842206059e-02 -2.842206059e-02 5.46 -2.572782896e-02 -2.572782896e-02 5.48 -2.324174143e-02 -2.324174143e-02 5.50 -2.095176697e-02 -2.095176697e-02 5.52 -1.884616442e-02 -1.884616442e-02 5.54 -1.691351901e-02 -1.691351901e-02 5.56 -1.514277387e-02 -1.514277387e-02 5.58 -1.352325652e-02 -1.352325652e-02 5.60 -1.204470070e-02 -1.204470070e-02 5.62 -1.069726336e-02 -1.069726336e-02 5.64 -9.471537450e-03 -9.471537450e-03 5.66 -8.358560399e-03 -8.358560399e-03 5.68 -7.349818794e-03 -7.349818794e-03 5.70 -6.437249495e-03 -6.437249495e-03 5.72 -5.613237509e-03 -5.613237509e-03 5.74 -4.870610964e-03 -4.870610964e-03 5.76 -4.202633514e-03 -4.202633514e-03 5.78 -3.631696425e-03 -3.631696425e-03 5.80 -3.177691547e-03 -3.177691547e-03 5.82 -2.767810801e-03 -2.767810801e-03 5.84 -2.398517199e-03 -2.398517199e-03 5.86 -2.066483899e-03 -2.066483899e-03 5.88 -1.768589285e-03 -1.768589285e-03 5.90 -1.501911356e-03 -1.501911356e-03 5.92 -1.263721492e-03 -1.263721492e-03 5.94 -1.051477710e-03 -1.051477710e-03 5.96 -8.628174871e-04 -8.628174871e-04 5.98 -6.955502399e-04 -6.955502399e-04 6.00 -5.476495521e-04 -5.476495521e-04