# 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 = Id2KNa # 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 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 1.211060460e+06 1.211060460e+06 1.40 9.879676657e+05 9.879676657e+05 1.42 8.082514009e+05 8.082514009e+05 1.44 6.630420063e+05 6.630420063e+05 1.46 5.453713443e+05 5.453713443e+05 1.48 4.497457895e+05 4.497457895e+05 1.50 3.718206769e+05 3.718206769e+05 1.52 3.081491539e+05 3.081491539e+05 1.54 2.559883519e+05 2.559883519e+05 1.56 2.131487532e+05 2.131487532e+05 1.58 1.778775711e+05 1.778775711e+05 1.60 1.487679098e+05 1.487679098e+05 1.62 1.246871529e+05 1.246871529e+05 1.64 1.047209467e+05 1.047209467e+05 1.66 8.812945677e+04 8.812945677e+04 1.68 7.431257015e+04 7.431257015e+04 1.70 6.278181934e+04 6.278181934e+04 1.72 5.313913586e+04 5.313913586e+04 1.74 4.505919055e+04 4.505919055e+04 1.76 3.827548313e+04 3.827548313e+04 1.78 3.256914083e+04 3.256914083e+04 1.80 2.776010157e+04 2.776010157e+04 1.82 2.369991523e+04 2.369991523e+04 1.84 2.026589069e+04 2.026589069e+04 1.86 1.735640499e+04 1.735640499e+04 1.88 1.488716075e+04 1.488716075e+04 1.90 1.278807768e+04 1.278807768e+04 1.92 1.100080131e+04 1.100080131e+04 1.94 9.476603478e+03 9.476603478e+03 1.96 8.174750341e+03 8.174750341e+03 1.98 7.061148628e+03 7.061148628e+03 2.00 6.107173583e+03 6.107173583e+03 2.02 5.288762472e+03 5.288762472e+03 2.04 4.585671141e+03 4.585671141e+03 2.06 3.980815724e+03 3.980815724e+03 2.08 3.459774458e+03 3.459774458e+03 2.10 3.010345669e+03 3.010345669e+03 2.12 2.622191636e+03 2.622191636e+03 2.14 2.286545101e+03 2.286545101e+03 2.16 1.995949066e+03 1.995949066e+03 2.18 1.744053777e+03 1.744053777e+03 2.20 1.525443872e+03 1.525443872e+03 2.22 1.335503796e+03 1.335503796e+03 2.24 1.170288418e+03 1.170288418e+03 2.26 1.026422004e+03 1.026422004e+03 2.28 9.010122341e+02 9.010122341e+02 2.30 7.915765930e+02 7.915765930e+02 2.32 6.959863541e+02 6.959863541e+02 2.34 6.124057440e+02 6.124057440e+02 2.36 5.392511908e+02 5.392511908e+02 2.38 4.751601952e+02 4.751601952e+02 2.40 4.189571143e+02 4.189571143e+02 2.42 3.696259465e+02 3.696259465e+02 2.44 3.262875443e+02 3.262875443e+02 2.46 2.881806161e+02 2.881806161e+02 2.48 2.546450793e+02 2.546450793e+02 2.50 2.251079860e+02 2.251079860e+02 2.52 1.990715040e+02 1.990715040e+02 2.54 1.761037374e+02 1.761037374e+02 2.56 1.558266088e+02 1.558266088e+02 2.58 1.379127991e+02 1.379127991e+02 2.60 1.220735028e+02 1.220735028e+02 2.62 1.080588204e+02 1.080588204e+02 2.64 9.565038376e+01 9.565038376e+01 2.66 8.465725667e+01 8.465725667e+01 2.68 7.491210485e+01 7.491210485e+01 2.70 6.626817960e+01 6.626817960e+01 2.72 5.859676951e+01 5.859676951e+01 2.74 5.178488317e+01 5.178488317e+01 2.76 4.573324219e+01 4.573324219e+01 2.78 4.035447212e+01 4.035447212e+01 2.80 3.557243771e+01 3.557243771e+01 2.82 3.131924645e+01 3.131924645e+01 2.84 2.753445207e+01 2.753445207e+01 2.86 2.416503057e+01 2.416503057e+01 2.88 2.116536975e+01 2.116536975e+01 2.90 1.849423219e+01 1.849423219e+01 2.92 1.611544187e+01 1.611544187e+01 2.94 1.399602410e+01 1.399602410e+01 2.96 1.210807535e+01 1.210807535e+01 2.98 1.042646815e+01 1.042646815e+01 3.00 8.928744339e+00 8.928744339e+00 3.02 7.595002132e+00 7.595002132e+00 3.04 6.407562222e+00 6.407562222e+00 3.06 5.350694525e+00 5.350694525e+00 3.08 4.410414515e+00 4.410414515e+00 3.10 3.574310624e+00 3.574310624e+00 3.12 2.831301931e+00 2.831301931e+00 3.14 2.171533602e+00 2.171533602e+00 3.16 1.586229084e+00 1.586229084e+00 3.18 1.067461579e+00 1.067461579e+00 3.20 6.083330316e-01 6.083330316e-01 3.22 2.025008714e-01 2.025008714e-01 3.24 -1.555492249e-01 -1.555492249e-01 3.26 -4.707942301e-01 -4.707942301e-01 3.28 -7.476752091e-01 -7.476752091e-01 3.30 -9.901573760e-01 -9.901573760e-01 3.32 -1.201782367e+00 -1.201782367e+00 3.34 -1.385714906e+00 -1.385714906e+00 3.36 -1.544784486e+00 -1.544784486e+00 3.38 -1.681533094e+00 -1.681533094e+00 3.40 -1.798297299e+00 -1.798297299e+00 3.42 -1.897005941e+00 -1.897005941e+00 3.44 -1.979486922e+00 -1.979486922e+00 3.46 -2.047382862e+00 -2.047382862e+00 3.48 -2.102174518e+00 -2.102174518e+00 3.50 -2.145171040e+00 -2.145171040e+00 3.52 -2.177592021e+00 -2.177592021e+00 3.54 -2.200528742e+00 -2.200528742e+00 3.56 -2.214967657e+00 -2.214967657e+00 3.58 -2.221803034e+00 -2.221803034e+00 3.60 -2.221848567e+00 -2.221848567e+00 3.62 -2.215845938e+00 -2.215845938e+00 3.64 -2.204478637e+00 -2.204478637e+00 3.66 -2.188361819e+00 -2.188361819e+00 3.68 -2.168223184e+00 -2.168223184e+00 3.70 -2.144393983e+00 -2.144393983e+00 3.72 -2.117332259e+00 -2.117332259e+00 3.74 -2.087481303e+00 -2.087481303e+00 3.76 -2.055245767e+00 -2.055245767e+00 3.78 -2.020994540e+00 -2.020994540e+00 3.80 -1.985047395e+00 -1.985047395e+00 3.82 -1.947720062e+00 -1.947720062e+00 3.84 -1.909295974e+00 -1.909295974e+00 3.86 -1.870024567e+00 -1.870024567e+00 3.88 -1.830128310e+00 -1.830128310e+00 3.90 -1.789805773e+00 -1.789805773e+00 3.92 -1.749233227e+00 -1.749233227e+00 3.94 -1.708566098e+00 -1.708566098e+00 3.96 -1.667951717e+00 -1.667951717e+00 3.98 -1.627543218e+00 -1.627543218e+00 4.00 -1.587384008e+00 -1.587384008e+00 4.02 -1.547562076e+00 -1.547562076e+00 4.04 -1.508151315e+00 -1.508151315e+00 4.06 -1.469210902e+00 -1.469210902e+00 4.08 -1.430791995e+00 -1.430791995e+00 4.10 -1.392935404e+00 -1.392935404e+00 4.12 -1.355671974e+00 -1.355671974e+00 4.14 -1.319024925e+00 -1.319024925e+00 4.16 -1.283010980e+00 -1.283010980e+00 4.18 -1.247641397e+00 -1.247641397e+00 4.20 -1.212922926e+00 -1.212922926e+00 4.22 -1.178858664e+00 -1.178858664e+00 4.24 -1.145448820e+00 -1.145448820e+00 4.26 -1.112691386e+00 -1.112691386e+00 4.28 -1.080582706e+00 -1.080582706e+00 4.30 -1.049117960e+00 -1.049117960e+00 4.32 -1.018298301e+00 -1.018298301e+00 4.34 -9.881596456e-01 -9.881596456e-01 4.36 -9.586359709e-01 -9.586359709e-01 4.38 -9.297226872e-01 -9.297226872e-01 4.40 -9.014150408e-01 -9.014150408e-01 4.42 -8.737081958e-01 -8.737081958e-01 4.44 -8.465972808e-01 -8.465972808e-01 4.46 -8.200774006e-01 -8.200774006e-01 4.48 -7.941436222e-01 -7.941436222e-01 4.50 -7.689643496e-01 -7.689643496e-01 4.52 -7.443847538e-01 -7.443847538e-01 4.54 -7.203323072e-01 -7.203323072e-01 4.56 -6.968085936e-01 -6.968085936e-01 4.58 -6.738153248e-01 -6.738153248e-01 4.60 -6.513512679e-01 -6.513512679e-01 4.62 -6.294144819e-01 -6.294144819e-01 4.64 -6.080018850e-01 -6.080018850e-01 4.66 -5.871093191e-01 -5.871093191e-01 4.68 -5.667316345e-01 -5.667316345e-01 4.70 -5.468627760e-01 -5.468627760e-01 4.72 -5.274958714e-01 -5.274958714e-01 4.74 -5.086233218e-01 -5.086233218e-01 4.76 -4.902368934e-01 -4.902368934e-01 4.78 -4.723278104e-01 -4.723278104e-01 4.80 -4.548868487e-01 -4.548868487e-01 4.82 -4.379044228e-01 -4.379044228e-01 4.84 -4.213704618e-01 -4.213704618e-01 4.86 -4.052752216e-01 -4.052752216e-01 4.88 -3.896086079e-01 -3.896086079e-01 4.90 -3.743605321e-01 -3.743605321e-01 4.92 -3.595209939e-01 -3.595209939e-01 4.94 -3.450801591e-01 -3.450801591e-01 4.96 -3.310281366e-01 -3.310281366e-01 4.98 -3.173545872e-01 -3.173545872e-01 5.00 -3.040516509e-01 -3.040516509e-01 5.02 -2.911113338e-01 -2.911113338e-01 5.04 -2.785255495e-01 -2.785255495e-01 5.06 -2.662867024e-01 -2.662867024e-01 5.08 -2.543877132e-01 -2.543877132e-01 5.10 -2.428220329e-01 -2.428220329e-01 5.12 -2.315836493e-01 -2.315836493e-01 5.14 -2.206670828e-01 -2.206670828e-01 5.16 -2.100673745e-01 -2.100673745e-01 5.18 -1.997800647e-01 -1.997800647e-01 5.20 -1.898011639e-01 -1.898011639e-01 5.22 -1.801271159e-01 -1.801271159e-01 5.24 -1.707547549e-01 -1.707547549e-01 5.26 -1.616812562e-01 -1.616812562e-01 5.28 -1.529040822e-01 -1.529040822e-01 5.30 -1.444209254e-01 -1.444209254e-01 5.32 -1.362296476e-01 -1.362296476e-01 5.34 -1.283282184e-01 -1.283282184e-01 5.36 -1.207146526e-01 -1.207146526e-01 5.38 -1.133869490e-01 -1.133869490e-01 5.40 -1.063430301e-01 -1.063430301e-01 5.42 -9.958068540e-02 -9.958068540e-02 5.44 -9.309751758e-02 -9.309751758e-02 5.46 -8.689089366e-02 -8.689089366e-02 5.48 -8.095790127e-02 -8.095790127e-02 5.50 -7.529531075e-02 -7.529531075e-02 5.52 -6.989954361e-02 -6.989954361e-02 5.54 -6.476664777e-02 -6.476664777e-02 5.56 -5.989227962e-02 -5.989227962e-02 5.58 -5.527169318e-02 -5.527169318e-02 5.60 -5.093311371e-02 -5.093311371e-02 5.62 -4.695984827e-02 -4.695984827e-02 5.64 -4.320632403e-02 -4.320632403e-02 5.66 -3.966776164e-02 -3.966776164e-02 5.68 -3.633892275e-02 -3.633892275e-02 5.70 -3.321412700e-02 -3.321412700e-02 5.72 -3.028728961e-02 -3.028728961e-02 5.74 -2.755196258e-02 -2.755196258e-02 5.76 -2.500137887e-02 -2.500137887e-02 5.78 -2.262849869e-02 -2.262849869e-02 5.80 -2.042605726e-02 -2.042605726e-02 5.82 -1.838661325e-02 -1.838661325e-02 5.84 -1.650259732e-02 -1.650259732e-02 5.86 -1.478661484e-02 -1.478661484e-02 5.88 -1.323021909e-02 -1.323021909e-02 5.90 -1.180049509e-02 -1.180049509e-02 5.92 -1.049047700e-02 -1.049047700e-02 5.94 -9.293230580e-03 -9.293230580e-03 5.96 -8.201894657e-03 -8.201894657e-03 5.98 -7.209719163e-03 -7.209719163e-03 6.00 -6.310099432e-03 -6.310099432e-03