# 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 = FK2Rb # 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 1.321122735e+04 1.321122735e+04 1.30 1.081171949e+04 1.081171949e+04 1.32 8.883905218e+03 8.883905218e+03 1.34 7.329155862e+03 7.329155862e+03 1.36 6.071030804e+03 6.071030804e+03 1.38 5.048811106e+03 5.048811106e+03 1.40 4.215413553e+03 4.215413553e+03 1.42 3.533752316e+03 3.533752316e+03 1.44 2.974198987e+03 2.974198987e+03 1.46 2.512773145e+03 2.512773145e+03 1.48 2.131485578e+03 2.131485578e+03 1.50 1.815335139e+03 1.815335139e+03 1.52 1.552273305e+03 1.552273305e+03 1.54 1.332577712e+03 1.332577712e+03 1.56 1.148593495e+03 1.148593495e+03 1.58 9.940117699e+02 9.940117699e+02 1.60 8.636788001e+02 8.636788001e+02 1.62 7.532942281e+02 7.532942281e+02 1.64 6.594880773e+02 6.594880773e+02 1.66 5.796247993e+02 5.796247993e+02 1.68 5.114251157e+02 5.114251157e+02 1.70 4.529834190e+02 4.529834190e+02 1.72 4.027289166e+02 4.027289166e+02 1.74 3.593645226e+02 3.593645226e+02 1.76 3.217680664e+02 3.217680664e+02 1.78 2.890841150e+02 2.890841150e+02 1.80 2.605844004e+02 2.605844004e+02 1.82 2.356544240e+02 2.356544240e+02 1.84 2.137543027e+02 2.137543027e+02 1.86 1.944577669e+02 1.944577669e+02 1.88 1.774091638e+02 1.774091638e+02 1.90 1.622946042e+02 1.622946042e+02 1.92 1.488327875e+02 1.488327875e+02 1.94 1.368197427e+02 1.368197427e+02 1.96 1.260661409e+02 1.260661409e+02 1.98 1.164092104e+02 1.164092104e+02 2.00 1.076985723e+02 1.076985723e+02 2.02 9.982433945e+01 9.982433945e+01 2.04 9.268889262e+01 9.268889262e+01 2.06 8.620657077e+01 8.620657077e+01 2.08 8.030158710e+01 8.030158710e+01 2.10 7.490794412e+01 7.490794412e+01 2.12 6.995695707e+01 6.995695707e+01 2.14 6.540665978e+01 6.540665978e+01 2.16 6.122230677e+01 6.122230677e+01 2.18 5.736537242e+01 5.736537242e+01 2.20 5.380044482e+01 5.380044482e+01 2.22 5.049218920e+01 5.049218920e+01 2.24 4.742531413e+01 4.742531413e+01 2.26 4.457656666e+01 4.457656666e+01 2.28 4.192573277e+01 4.192573277e+01 2.30 3.945485977e+01 3.945485977e+01 2.32 3.714803137e+01 3.714803137e+01 2.34 3.499117761e+01 3.499117761e+01 2.36 3.297179063e+01 3.297179063e+01 2.38 3.107866127e+01 3.107866127e+01 2.40 2.930171023e+01 2.930171023e+01 2.42 2.762498456e+01 2.762498456e+01 2.44 2.604872490e+01 2.604872490e+01 2.46 2.456621603e+01 2.456621603e+01 2.48 2.317078622e+01 2.317078622e+01 2.50 2.185618184e+01 2.185618184e+01 2.52 2.061680946e+01 2.061680946e+01 2.54 1.944794240e+01 1.944794240e+01 2.56 1.834502064e+01 1.834502064e+01 2.58 1.730389954e+01 1.730389954e+01 2.60 1.632068427e+01 1.632068427e+01 2.62 1.539189463e+01 1.539189463e+01 2.64 1.451455598e+01 1.451455598e+01 2.66 1.368572448e+01 1.368572448e+01 2.68 1.290267612e+01 1.290267612e+01 2.70 1.216285361e+01 1.216285361e+01 2.72 1.146389006e+01 1.146389006e+01 2.74 1.080340159e+01 1.080340159e+01 2.76 1.017935987e+01 1.017935987e+01 2.78 9.590015268e+00 9.590015268e+00 2.80 9.033500934e+00 9.033500934e+00 2.82 8.508042849e+00 8.508042849e+00 2.84 8.011965414e+00 8.011965414e+00 2.86 7.543605137e+00 7.543605137e+00 2.88 7.100272839e+00 7.100272839e+00 2.90 6.682004772e+00 6.682004772e+00 2.92 6.287459273e+00 6.287459273e+00 2.94 5.915285565e+00 5.915285565e+00 2.96 5.563458087e+00 5.563458087e+00 2.98 5.231287774e+00 5.231287774e+00 3.00 4.918026814e+00 4.918026814e+00 3.02 4.622552979e+00 4.622552979e+00 3.04 4.343805332e+00 4.343805332e+00 3.06 4.080756411e+00 4.080756411e+00 3.08 3.832446861e+00 3.832446861e+00 3.10 3.598039996e+00 3.598039996e+00 3.12 3.376650138e+00 3.376650138e+00 3.14 3.167547161e+00 3.167547161e+00 3.16 2.969989566e+00 2.969989566e+00 3.18 2.783193042e+00 2.783193042e+00 3.20 2.606593916e+00 2.606593916e+00 3.22 2.439617311e+00 2.439617311e+00 3.24 2.281694943e+00 2.281694943e+00 3.26 2.132297814e+00 2.132297814e+00 3.28 1.990933568e+00 1.990933568e+00 3.30 1.857143845e+00 1.857143845e+00 3.32 1.730501656e+00 1.730501656e+00 3.34 1.610608801e+00 1.610608801e+00 3.36 1.497093386e+00 1.497093386e+00 3.38 1.389607443e+00 1.389607443e+00 3.40 1.287824701e+00 1.287824701e+00 3.42 1.191438716e+00 1.191438716e+00 3.44 1.100160471e+00 1.100160471e+00 3.46 1.013716983e+00 1.013716983e+00 3.48 9.318499864e-01 9.318499864e-01 3.50 8.543145977e-01 8.543145977e-01 3.52 7.808783132e-01 7.808783132e-01 3.54 7.112511506e-01 7.112511506e-01 3.56 6.452837984e-01 6.452837984e-01 3.58 5.828003185e-01 5.828003185e-01 3.60 5.236056817e-01 5.236056817e-01 3.62 4.675146823e-01 4.675146823e-01 3.64 4.143516141e-01 4.143516141e-01 3.66 3.639500201e-01 3.639500201e-01 3.68 3.161501483e-01 3.161501483e-01 3.70 2.706799505e-01 2.706799505e-01 3.72 2.275518205e-01 2.275518205e-01 3.74 1.866305684e-01 1.866305684e-01 3.76 1.476962743e-01 1.476962743e-01 3.78 1.104133535e-01 1.104133535e-01 3.80 7.506359085e-02 7.506359085e-02 3.82 4.150070277e-02 4.150070277e-02 3.84 9.652351168e-03 9.652351168e-03 3.86 -2.056680964e-02 -2.056680964e-02 3.88 -4.924472992e-02 -4.924472992e-02 3.90 -7.646118611e-02 -7.646118611e-02 3.92 -1.022884258e-01 -1.022884258e-01 3.94 -1.267917455e-01 -1.267917455e-01 3.96 -1.500301370e-01 -1.500301370e-01 3.98 -1.720572552e-01 -1.720572552e-01 4.00 -1.929214960e-01 -1.929214960e-01 4.02 -2.126667696e-01 -2.126667696e-01 4.04 -2.313330392e-01 -2.313330392e-01 4.06 -2.489568275e-01 -2.489568275e-01 4.08 -2.655716891e-01 -2.655716891e-01 4.10 -2.812086457e-01 -2.812086457e-01 4.12 -2.958965846e-01 -2.958965846e-01 4.14 -3.096626183e-01 -3.096626183e-01 4.16 -3.225324074e-01 -3.225324074e-01 4.18 -3.345295937e-01 -3.345295937e-01 4.20 -3.456785737e-01 -3.456785737e-01 4.22 -3.560023878e-01 -3.560023878e-01 4.24 -3.655738062e-01 -3.655738062e-01 4.26 -3.743626089e-01 -3.743626089e-01 4.28 -3.823832085e-01 -3.823832085e-01 4.30 -3.896584846e-01 -3.896584846e-01 4.32 -3.962239564e-01 -3.962239564e-01 4.34 -4.021866086e-01 -4.021866086e-01 4.36 -4.074494356e-01 -4.074494356e-01 4.38 -4.120381698e-01 -4.120381698e-01 4.40 -4.159780417e-01 -4.159780417e-01 4.42 -4.192938216e-01 -4.192938216e-01 4.44 -4.220098664e-01 -4.220098664e-01 4.46 -4.241501542e-01 -4.241501542e-01 4.48 -4.257383099e-01 -4.257383099e-01 4.50 -4.268448477e-01 -4.268448477e-01 4.52 -4.274527719e-01 -4.274527719e-01 4.54 -4.275662543e-01 -4.275662543e-01 4.56 -4.272094100e-01 -4.272094100e-01 4.58 -4.264057721e-01 -4.264057721e-01 4.60 -4.251783083e-01 -4.251783083e-01 4.62 -4.236202464e-01 -4.236202464e-01 4.64 -4.218254744e-01 -4.218254744e-01 4.66 -4.196411098e-01 -4.196411098e-01 4.68 -4.170916315e-01 -4.170916315e-01 4.70 -4.142006066e-01 -4.142006066e-01 4.72 -4.109907167e-01 -4.109907167e-01 4.74 -4.074837806e-01 -4.074837806e-01 4.76 -4.037007743e-01 -4.037007743e-01 4.78 -3.996618480e-01 -3.996618480e-01 4.80 -3.953863413e-01 -3.953863413e-01 4.82 -3.908927926e-01 -3.908927926e-01 4.84 -3.861988447e-01 -3.861988447e-01 4.86 -3.813216116e-01 -3.813216116e-01 4.88 -3.762773049e-01 -3.762773049e-01 4.90 -3.710813789e-01 -3.710813789e-01 4.92 -3.657485407e-01 -3.657485407e-01 4.94 -3.602927592e-01 -3.602927592e-01 4.96 -3.547272108e-01 -3.547272108e-01 4.98 -3.490644802e-01 -3.490644802e-01 5.00 -3.433164050e-01 -3.433164050e-01 5.02 -3.374941116e-01 -3.374941116e-01 5.04 -3.316080509e-01 -3.316080509e-01 5.06 -3.256680146e-01 -3.256680146e-01 5.08 -3.196831542e-01 -3.196831542e-01 5.10 -3.136620012e-01 -3.136620012e-01 5.12 -3.076124896e-01 -3.076124896e-01 5.14 -3.015419793e-01 -3.015419793e-01 5.16 -2.954572829e-01 -2.954572829e-01 5.18 -2.893646923e-01 -2.893646923e-01 5.20 -2.832700080e-01 -2.832700080e-01 5.22 -2.771785694e-01 -2.771785694e-01 5.24 -2.710952858e-01 -2.710952858e-01 5.26 -2.650246691e-01 -2.650246691e-01 5.28 -2.589708663e-01 -2.589708663e-01 5.30 -2.529376927e-01 -2.529376927e-01 5.32 -2.469286651e-01 -2.469286651e-01 5.34 -2.409470351e-01 -2.409470351e-01 5.36 -2.349958209e-01 -2.349958209e-01 5.38 -2.290782762e-01 -2.290782762e-01 5.40 -2.231967229e-01 -2.231967229e-01 5.42 -2.173534373e-01 -2.173534373e-01 5.44 -2.115508274e-01 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