# 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 = CsF2Na # 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 8.299048089e+05 8.299048089e+05 1.22 nan nan 1.24 nan nan 1.26 4.214127506e+05 4.214127506e+05 1.28 3.385742406e+05 3.385742406e+05 1.30 2.729252112e+05 2.729252112e+05 1.32 2.207143086e+05 2.207143086e+05 1.34 1.790482005e+05 1.790482005e+05 1.36 1.456863832e+05 1.456863832e+05 1.38 1.188878275e+05 1.188878275e+05 1.40 9.729369600e+04 9.729369600e+04 1.42 7.984054514e+04 7.984054514e+04 1.44 6.569277374e+04 6.569277374e+04 1.46 5.419141873e+04 5.419141873e+04 1.48 4.481553241e+04 4.481553241e+04 1.50 3.715175036e+04 3.715175036e+04 1.52 3.087093728e+04 3.087093728e+04 1.54 2.571041986e+04 2.571041986e+04 1.56 2.145995688e+04 2.145995688e+04 1.58 1.795057612e+04 1.795057612e+04 1.60 1.504626989e+04 1.504626989e+04 1.62 1.263724069e+04 1.263724069e+04 1.64 1.063465415e+04 1.063465415e+04 1.66 8.966322661e+03 8.966322661e+03 1.68 7.573532609e+03 7.573532609e+03 1.70 6.408401375e+03 6.408401375e+03 1.72 5.431796154e+03 5.431796154e+03 1.74 4.611649167e+03 4.611649167e+03 1.76 3.921588148e+03 3.921588148e+03 1.78 3.339927327e+03 3.339927327e+03 1.80 2.848763407e+03 2.848763407e+03 1.82 2.433302571e+03 2.433302571e+03 1.84 2.081303137e+03 2.081303137e+03 1.86 1.782584795e+03 1.782584795e+03 1.88 1.528661706e+03 1.528661706e+03 1.90 1.312485007e+03 1.312485007e+03 1.92 1.128167399e+03 1.128167399e+03 1.94 9.707844965e+02 9.707844965e+02 1.96 8.362107962e+02 8.362107962e+02 1.98 7.209891677e+02 7.209891677e+02 2.00 6.222036003e+02 6.222036003e+02 2.02 5.373947222e+02 5.373947222e+02 2.04 4.644939967e+02 4.644939967e+02 2.06 4.017533992e+02 4.017533992e+02 2.08 3.476933786e+02 3.476933786e+02 2.10 3.010618505e+02 3.010618505e+02 2.12 2.607930382e+02 2.607930382e+02 2.14 2.259810988e+02 2.259810988e+02 2.16 1.958597216e+02 1.958597216e+02 2.18 1.697709931e+02 1.697709931e+02 2.20 1.471535458e+02 1.471535458e+02 2.22 1.275283484e+02 1.275283484e+02 2.24 1.104857475e+02 1.104857475e+02 2.26 9.567465913e+01 9.567465913e+01 2.28 8.279375353e+01 8.279375353e+01 2.30 7.158378824e+01 7.158378824e+01 2.32 6.182273136e+01 6.182273136e+01 2.34 5.331845915e+01 5.331845915e+01 2.36 4.590546139e+01 4.590546139e+01 2.38 3.944169002e+01 3.944169002e+01 2.40 3.380628804e+01 3.380628804e+01 2.42 2.888972981e+01 2.888972981e+01 2.44 2.459970566e+01 2.459970566e+01 2.46 2.085619444e+01 2.085619444e+01 2.48 1.758954759e+01 1.758954759e+01 2.50 1.473988094e+01 1.473988094e+01 2.52 1.225454662e+01 1.225454662e+01 2.54 1.008781646e+01 1.008781646e+01 2.56 8.199970614e+00 8.199970614e+00 2.58 6.556427235e+00 6.556427235e+00 2.60 5.126946887e+00 5.126946887e+00 2.62 3.884968206e+00 3.884968206e+00 2.64 2.807626195e+00 2.807626195e+00 2.66 1.874743197e+00 1.874743197e+00 2.68 1.068659625e+00 1.068659625e+00 2.70 3.739875338e-01 3.739875338e-01 2.72 -2.226115750e-01 -2.226115750e-01 2.74 -7.335254223e-01 -7.335254223e-01 2.76 -1.168987856e+00 -1.168987856e+00 2.78 -1.538152396e+00 -1.538152396e+00 2.80 -1.849068270e+00 -1.849068270e+00 2.82 -2.108840358e+00 -2.108840358e+00 2.84 -2.323655201e+00 -2.323655201e+00 2.86 -2.499007662e+00 -2.499007662e+00 2.88 -2.639746104e+00 -2.639746104e+00 2.90 -2.750153011e+00 -2.750153011e+00 2.92 -2.833988496e+00 -2.833988496e+00 2.94 -2.894618554e+00 -2.894618554e+00 2.96 -2.935034306e+00 -2.935034306e+00 2.98 -2.957867574e+00 -2.957867574e+00 3.00 -2.965476112e+00 -2.965476112e+00 3.02 -2.960107400e+00 -2.960107400e+00 3.04 -2.943396826e+00 -2.943396826e+00 3.06 -2.916937485e+00 -2.916937485e+00 3.08 -2.882194998e+00 -2.882194998e+00 3.10 -2.840468046e+00 -2.840468046e+00 3.12 -2.792907037e+00 -2.792907037e+00 3.14 -2.740529771e+00 -2.740529771e+00 3.16 -2.684234993e+00 -2.684234993e+00 3.18 -2.624828195e+00 -2.624828195e+00 3.20 -2.563034414e+00 -2.563034414e+00 3.22 -2.499401957e+00 -2.499401957e+00 3.24 -2.434456720e+00 -2.434456720e+00 3.26 -2.368678437e+00 -2.368678437e+00 3.28 -2.302495143e+00 -2.302495143e+00 3.30 -2.236212299e+00 -2.236212299e+00 3.32 -2.170118450e+00 -2.170118450e+00 3.34 -2.104480074e+00 -2.104480074e+00 3.36 -2.039487716e+00 -2.039487716e+00 3.38 -1.975306833e+00 -1.975306833e+00 3.40 -1.912076933e+00 -1.912076933e+00 3.42 -1.849910425e+00 -1.849910425e+00 3.44 -1.788896188e+00 -1.788896188e+00 3.46 -1.729102815e+00 -1.729102815e+00 3.48 -1.670581523e+00 -1.670581523e+00 3.50 -1.613368765e+00 -1.613368765e+00 3.52 -1.557488212e+00 -1.557488212e+00 3.54 -1.502953213e+00 -1.502953213e+00 3.56 -1.449769530e+00 -1.449769530e+00 3.58 -1.397935075e+00 -1.397935075e+00 3.60 -1.347442036e+00 -1.347442036e+00 3.62 -1.298278018e+00 -1.298278018e+00 3.64 -1.250427001e+00 -1.250427001e+00 3.66 -1.203870151e+00 -1.203870151e+00 3.68 -1.158589226e+00 -1.158589226e+00 3.70 -1.114814582e+00 -1.114814582e+00 3.72 -1.072212303e+00 -1.072212303e+00 3.74 -1.030767881e+00 -1.030767881e+00 3.76 -9.904632701e-01 -9.904632701e-01 3.78 -9.512784104e-01 -9.512784104e-01 3.80 -9.131966638e-01 -9.131966638e-01 3.82 -8.761976070e-01 -8.761976070e-01 3.84 -8.402877903e-01 -8.402877903e-01 3.86 -8.054143703e-01 -8.054143703e-01 3.88 -7.715534435e-01 -7.715534435e-01 3.90 -7.386852355e-01 -7.386852355e-01 3.92 -7.067899006e-01 -7.067899006e-01 3.94 -6.758476899e-01 -6.758476899e-01 3.96 -6.458504164e-01 -6.458504164e-01 3.98 -6.168140654e-01 -6.168140654e-01 4.00 -5.886619680e-01 -5.886619680e-01 4.02 -5.613778053e-01 -5.613778053e-01 4.04 -5.349456176e-01 -5.349456176e-01 4.06 -5.093498713e-01 -5.093498713e-01 4.08 -4.845755076e-01 -4.845755076e-01 4.10 -4.606079726e-01 -4.606079726e-01 4.12 -4.374332300e-01 -4.374332300e-01 4.14 -4.150377584e-01 -4.150377584e-01 4.16 -3.934085339e-01 -3.934085339e-01 4.18 -3.725329995e-01 -3.725329995e-01 4.20 -3.523990227e-01 -3.523990227e-01 4.22 -3.329948427e-01 -3.329948427e-01 4.24 -3.143090108e-01 -3.143090108e-01 4.26 -2.963371686e-01 -2.963371686e-01 4.28 -2.790613134e-01 -2.790613134e-01 4.30 -2.624697370e-01 -2.624697370e-01 4.32 -2.465512055e-01 -2.465512055e-01 4.34 -2.312952088e-01 -2.312952088e-01 4.36 -2.166908005e-01 -2.166908005e-01 4.38 -2.027267476e-01 -2.027267476e-01 4.40 -1.893915522e-01 -1.893915522e-01 4.42 -1.766733938e-01 -1.766733938e-01 4.44 -1.645600787e-01 -1.645600787e-01 4.46 -1.530389989e-01 -1.530389989e-01 4.48 -1.420970991e-01 -1.420970991e-01 4.50 -1.317235554e-01 -1.317235554e-01 4.52 -1.220922636e-01 -1.220922636e-01 4.54 -1.129761954e-01 -1.129761954e-01 4.56 -1.043599316e-01 -1.043599316e-01 4.58 -9.623060338e-02 -9.623060338e-02 4.60 -8.857441562e-02 -8.857441562e-02 4.62 -8.137697823e-02 -8.137697823e-02 4.64 -7.462336547e-02 -7.462336547e-02 4.66 -6.829792862e-02 -6.829792862e-02 4.68 -6.238309963e-02 -6.238309963e-02 4.70 -5.686502205e-02 -5.686502205e-02 4.72 -5.172725831e-02 -5.172725831e-02 4.74 -4.695318313e-02 -4.695318313e-02 4.76 -4.252605951e-02 -4.252605951e-02 4.78 -3.842911464e-02 -3.842911464e-02 4.80 -3.464561461e-02 -3.464561461e-02 4.82 -3.115893696e-02 -3.115893696e-02 4.84 -2.795264042e-02 -2.795264042e-02 4.86 -2.501053079e-02 -2.501053079e-02 4.88 -2.231672261e-02 -2.231672261e-02 4.90 -1.985569581e-02 -1.985569581e-02 4.92 -1.761234710e-02 -1.761234710e-02 4.94 -1.557203564e-02 -1.557203564e-02 4.96 -1.372062286e-02 -1.372062286e-02 4.98 -1.204450622e-02 -1.204450622e-02 5.00 -1.053064704e-02 -1.053064704e-02 5.02 -9.166592268e-03 -9.166592268e-03 5.04 -7.940490544e-03 -7.940490544e-03 5.06 -6.841102686e-03 -6.841102686e-03 5.08 -5.857806879e-03 -5.857806879e-03 5.10 -4.980598958e-03 -4.980598958e-03 5.12 -4.200088147e-03 -4.200088147e-03 5.14 -3.507488660e-03 -3.507488660e-03 5.16 -2.894607620e-03 -2.894607620e-03 5.18 -2.353829724e-03 -2.353829724e-03 5.20 -1.878099115e-03 -1.878099115e-03 5.22 -1.586769986e-03 -1.586769986e-03 5.24 -1.361646166e-03 -1.361646166e-03 5.26 -1.162036887e-03 -1.162036887e-03 5.28 -9.855327650e-04 -9.855327650e-04 5.30 -8.298948415e-04 -8.298948415e-04 5.32 -6.930497600e-04 -6.930497600e-04 5.34 -5.730840793e-04 -5.730840793e-04 5.36 -4.682378869e-04 -4.682378869e-04 5.38 -3.768978551e-04 -3.768978551e-04 5.40 -2.975898781e-04 -2.975898781e-04 5.42 -2.289714159e-04 -2.289714159e-04 5.44 -1.698236624e-04 -1.698236624e-04 5.46 -1.190436398e-04 -1.190436398e-04 5.48 -7.563631447e-05 -7.563631447e-05 5.50 -3.859320296e-05 -3.859320296e-05 5.52 -3.435566632e-05 -3.435566632e-05 5.54 -3.171831238e-05 -3.171831238e-05 5.56 -2.924992585e-05 -2.924992585e-05 5.58 -2.694188155e-05 -2.694188155e-05 5.60 -2.478588696e-05 -2.478588696e-05 5.62 -2.277396862e-05 -2.277396862e-05 5.64 -2.089846020e-05 -2.089846020e-05 5.66 -1.915199198e-05 -1.915199198e-05 5.68 -1.752748160e-05 -1.752748160e-05 5.70 -1.601812579e-05 -1.601812579e-05 5.72 -1.461739295e-05 -1.461739295e-05 5.74 -1.333982944e-05 -1.333982944e-05 5.76 -1.217592746e-05 -1.217592746e-05 5.78 -1.109290258e-05 -1.109290258e-05 5.80 -1.008686234e-05 -1.008686234e-05 5.82 -9.153937673e-06 -9.153937673e-06 5.84 -8.290303017e-06 -8.290303017e-06 5.86 -7.492193978e-06 -7.492193978e-06 5.88 -6.755922577e-06 -6.755922577e-06 5.90 -6.077890305e-06 -6.077890305e-06 5.92 -5.454599130e-06 -5.454599130e-06 5.94 -4.882660609e-06 -4.882660609e-06 5.96 -4.358803260e-06 -4.358803260e-06 5.98 -3.879878348e-06 -3.879878348e-06 6.00 -3.442864217e-06 -3.442864217e-06