# 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 = BrFNa2 # 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 2.585366421e+03 2.585366421e+03 1.22 nan nan 1.24 nan nan 1.26 1.630874311e+03 1.630874311e+03 1.28 1.407029263e+03 1.407029263e+03 1.30 1.217067123e+03 1.217067123e+03 1.32 1.055621258e+03 1.055621258e+03 1.34 9.178744618e+02 9.178744618e+02 1.36 8.001213106e+02 8.001213106e+02 1.38 6.991418255e+02 6.991418255e+02 1.40 6.122156393e+02 6.122156393e+02 1.42 5.373806401e+02 5.373806401e+02 1.44 4.726357643e+02 4.726357643e+02 1.46 4.164564949e+02 4.164564949e+02 1.48 3.676927458e+02 3.676927458e+02 1.50 3.251972146e+02 3.251972146e+02 1.52 2.880707957e+02 2.880707957e+02 1.54 2.556123815e+02 2.556123815e+02 1.56 2.271826005e+02 2.271826005e+02 1.58 2.021801294e+02 2.021801294e+02 1.60 1.801529325e+02 1.801529325e+02 1.62 1.607340935e+02 1.607340935e+02 1.64 1.435857198e+02 1.435857198e+02 1.66 1.283866368e+02 1.283866368e+02 1.68 1.148941734e+02 1.148941734e+02 1.70 1.028936426e+02 1.028936426e+02 1.72 9.222353180e+01 9.222353180e+01 1.74 8.271206465e+01 8.271206465e+01 1.76 7.422099278e+01 7.422099278e+01 1.78 6.663163500e+01 6.663163500e+01 1.80 5.984104539e+01 5.984104539e+01 1.82 5.376390152e+01 5.376390152e+01 1.84 4.833548387e+01 4.833548387e+01 1.86 4.345629915e+01 4.345629915e+01 1.88 3.906496601e+01 3.906496601e+01 1.90 3.511100415e+01 3.511100415e+01 1.92 3.154838938e+01 3.154838938e+01 1.94 2.833595007e+01 2.833595007e+01 1.96 2.544100651e+01 2.544100651e+01 1.98 2.283247414e+01 2.283247414e+01 2.00 2.047169256e+01 2.047169256e+01 2.02 1.833336157e+01 1.833336157e+01 2.04 1.639473303e+01 1.639473303e+01 2.06 1.463427503e+01 1.463427503e+01 2.08 1.303361414e+01 1.303361414e+01 2.10 1.157784576e+01 1.157784576e+01 2.12 1.025222261e+01 1.025222261e+01 2.14 9.045313972e+00 9.045313972e+00 2.16 7.945088403e+00 7.945088403e+00 2.18 6.939711820e+00 6.939711820e+00 2.20 6.020203996e+00 6.020203996e+00 2.22 5.178621245e+00 5.178621245e+00 2.24 4.407928509e+00 4.407928509e+00 2.26 3.701890420e+00 3.701890420e+00 2.28 3.054957977e+00 3.054957977e+00 2.30 2.461687976e+00 2.461687976e+00 2.32 1.918306238e+00 1.918306238e+00 2.34 1.420918354e+00 1.420918354e+00 2.36 9.654810944e-01 9.654810944e-01 2.38 5.510457822e-01 5.510457822e-01 2.40 1.725021916e-01 1.725021916e-01 2.42 -1.728667659e-01 -1.728667659e-01 2.44 -4.876879708e-01 -4.876879708e-01 2.46 -7.740062297e-01 -7.740062297e-01 2.48 -1.033757640e+00 -1.033757640e+00 2.50 -1.269192251e+00 -1.269192251e+00 2.52 -1.482453426e+00 -1.482453426e+00 2.54 -1.674318329e+00 -1.674318329e+00 2.56 -1.846424791e+00 -1.846424791e+00 2.58 -2.000183163e+00 -2.000183163e+00 2.60 -2.136994563e+00 -2.136994563e+00 2.62 -2.258233485e+00 -2.258233485e+00 2.64 -2.364959732e+00 -2.364959732e+00 2.66 -2.458325344e+00 -2.458325344e+00 2.68 -2.539359426e+00 -2.539359426e+00 2.70 -2.609020151e+00 -2.609020151e+00 2.72 -2.669448468e+00 -2.669448468e+00 2.74 -2.719934557e+00 -2.719934557e+00 2.76 -2.761207386e+00 -2.761207386e+00 2.78 -2.794050241e+00 -2.794050241e+00 2.80 -2.819153383e+00 -2.819153383e+00 2.82 -2.837185464e+00 -2.837185464e+00 2.84 -2.848621267e+00 -2.848621267e+00 2.86 -2.853986309e+00 -2.853986309e+00 2.88 -2.853739061e+00 -2.853739061e+00 2.90 -2.848345470e+00 -2.848345470e+00 2.92 -2.838240705e+00 -2.838240705e+00 2.94 -2.823810083e+00 -2.823810083e+00 2.96 -2.805412769e+00 -2.805412769e+00 2.98 -2.783409866e+00 -2.783409866e+00 3.00 -2.758143851e+00 -2.758143851e+00 3.02 -2.729860234e+00 -2.729860234e+00 3.04 -2.698810069e+00 -2.698810069e+00 3.06 -2.665259861e+00 -2.665259861e+00 3.08 -2.629460867e+00 -2.629460867e+00 3.10 -2.591649450e+00 -2.591649450e+00 3.12 -2.552048271e+00 -2.552048271e+00 3.14 -2.510867172e+00 -2.510867172e+00 3.16 -2.468303865e+00 -2.468303865e+00 3.18 -2.424544512e+00 -2.424544512e+00 3.20 -2.379764230e+00 -2.379764230e+00 3.22 -2.334112406e+00 -2.334112406e+00 3.24 -2.287979855e+00 -2.287979855e+00 3.26 -2.241299214e+00 -2.241299214e+00 3.28 -2.194195916e+00 -2.194195916e+00 3.30 -2.146747680e+00 -2.146747680e+00 3.32 -2.099081010e+00 -2.099081010e+00 3.34 -2.051318279e+00 -2.051318279e+00 3.36 -2.003569183e+00 -2.003569183e+00 3.38 -1.955917098e+00 -1.955917098e+00 3.40 -1.908456737e+00 -1.908456737e+00 3.42 -1.861270544e+00 -1.861270544e+00 3.44 -1.814433342e+00 -1.814433342e+00 3.46 -1.768012845e+00 -1.768012845e+00 3.48 -1.722070002e+00 -1.722070002e+00 3.50 -1.676659312e+00 -1.676659312e+00 3.52 -1.631829103e+00 -1.631829103e+00 3.54 -1.587621803e+00 -1.587621803e+00 3.56 -1.544074181e+00 -1.544074181e+00 3.58 -1.501217598e+00 -1.501217598e+00 3.60 -1.459078244e+00 -1.459078244e+00 3.62 -1.417677388e+00 -1.417677388e+00 3.64 -1.377031635e+00 -1.377031635e+00 3.66 -1.337153200e+00 -1.337153200e+00 3.68 -1.298051774e+00 -1.298051774e+00 3.70 -1.259857275e+00 -1.259857275e+00 3.72 -1.222413979e+00 -1.222413979e+00 3.74 -1.185726519e+00 -1.185726519e+00 3.76 -1.149794280e+00 -1.149794280e+00 3.78 -1.114612935e+00 -1.114612935e+00 3.80 -1.080175548e+00 -1.080175548e+00 3.82 -1.046472981e+00 -1.046472981e+00 3.84 -1.013494290e+00 -1.013494290e+00 3.86 -9.812271020e-01 -9.812271020e-01 3.88 -9.496579761e-01 -9.496579761e-01 3.90 -9.187727329e-01 -9.187727329e-01 3.92 -8.885567581e-01 -8.885567581e-01 3.94 -8.589952753e-01 -8.589952753e-01 3.96 -8.300962241e-01 -8.300962241e-01 3.98 -8.019154460e-01 -8.019154460e-01 4.00 -7.743230048e-01 -7.743230048e-01 4.02 -7.473091794e-01 -7.473091794e-01 4.04 -7.208644750e-01 -7.208644750e-01 4.06 -6.949797608e-01 -6.949797608e-01 4.08 -6.696463784e-01 -6.696463784e-01 4.10 -6.448562251e-01 -6.448562251e-01 4.12 -6.206018128e-01 -6.206018128e-01 4.14 -5.968763063e-01 -5.968763063e-01 4.16 -5.736735435e-01 -5.736735435e-01 4.18 -5.509880394e-01 -5.509880394e-01 4.20 -5.288149766e-01 -5.288149766e-01 4.22 -5.072335848e-01 -5.072335848e-01 4.24 -4.861663640e-01 -4.861663640e-01 4.26 -4.655805540e-01 -4.655805540e-01 4.28 -4.454772182e-01 -4.454772182e-01 4.30 -4.258573849e-01 -4.258573849e-01 4.32 -4.067219607e-01 -4.067219607e-01 4.34 -3.880720083e-01 -3.880720083e-01 4.36 -3.699084757e-01 -3.699084757e-01 4.38 -3.522322366e-01 -3.522322366e-01 4.40 -3.350440876e-01 -3.350440876e-01 4.42 -3.183447202e-01 -3.183447202e-01 4.44 -3.021346870e-01 -3.021346870e-01 4.46 -2.864143623e-01 -2.864143623e-01 4.48 -2.711838999e-01 -2.711838999e-01 4.50 -2.564455933e-01 -2.564455933e-01 4.52 -2.423878053e-01 -2.423878053e-01 4.54 -2.287963233e-01 -2.287963233e-01 4.56 -2.156692898e-01 -2.156692898e-01 4.58 -2.030081694e-01 -2.030081694e-01 4.60 -1.908128735e-01 -1.908128735e-01 4.62 -1.790825589e-01 -1.790825589e-01 4.64 -1.678156180e-01 -1.678156180e-01 4.66 -1.570096566e-01 -1.570096566e-01 4.68 -1.466614766e-01 -1.466614766e-01 4.70 -1.367670640e-01 -1.367670640e-01 4.72 -1.273215833e-01 -1.273215833e-01 4.74 -1.183193777e-01 -1.183193777e-01 4.76 -1.097534700e-01 -1.097534700e-01 4.78 -1.016163505e-01 -1.016163505e-01 4.80 -9.390088448e-02 -9.390088448e-02 4.82 -8.659826280e-02 -8.659826280e-02 4.84 -7.969896381e-02 -7.969896381e-02 4.86 -7.319279506e-02 -7.319279506e-02 4.88 -6.706894060e-02 -6.706894060e-02 4.90 -6.131601361e-02 -6.131601361e-02 4.92 -5.592211370e-02 -5.592211370e-02 4.94 -5.087488810e-02 -5.087488810e-02 4.96 -4.616159603e-02 -4.616159603e-02 4.98 -4.176917538e-02 -4.176917538e-02 5.00 -3.768431085e-02 -3.768431085e-02 5.02 -3.389350288e-02 -3.389350288e-02 5.04 -3.038313620e-02 -3.038313620e-02 5.06 -2.713954767e-02 -2.713954767e-02 5.08 -2.414909215e-02 -2.414909215e-02 5.10 -2.139820621e-02 -2.139820621e-02 5.12 -1.887346858e-02 -1.887346858e-02 5.14 -1.656165716e-02 -1.656165716e-02 5.16 -1.444984306e-02 -1.444984306e-02 5.18 -1.279923288e-02 -1.279923288e-02 5.20 -1.133895148e-02 -1.133895148e-02 5.22 -1.000902730e-02 -1.000902730e-02 5.24 -8.800908963e-03 -8.800908963e-03 5.26 -7.706264429e-03 -7.706264429e-03 5.28 -6.717016404e-03 -6.717016404e-03 5.30 -5.825372423e-03 -5.825372423e-03 5.32 -5.023849813e-03 -5.023849813e-03 5.34 -4.305295666e-03 -4.305295666e-03 5.36 -3.662902043e-03 -3.662902043e-03 5.38 -3.090216680e-03 -3.090216680e-03 5.40 -2.581149503e-03 -2.581149503e-03 5.42 -2.129975280e-03 -2.129975280e-03 5.44 -1.731332766e-03 -1.731332766e-03 5.46 -1.380220725e-03 -1.380220725e-03 5.48 -1.071991176e-03 -1.071991176e-03 5.50 -8.023402634e-04 -8.023402634e-04 5.52 -5.672971012e-04 -5.672971012e-04 5.54 -3.632109467e-04 -3.632109467e-04 5.56 -1.867370461e-04 -1.867370461e-04 5.58 -5.473861424e-05 -5.473861424e-05 5.60 -1.492663689e-05 -1.492663689e-05 5.62 -1.359808205e-05 -1.359808205e-05 5.64 -1.237299819e-05 -1.237299819e-05 5.66 -1.124435069e-05 -1.124435069e-05 5.68 -1.020552370e-05 -1.020552370e-05 5.70 -9.250296949e-06 -9.250296949e-06 5.72 -8.372824051e-06 -8.372824051e-06 5.74 -7.580869408e-06 -7.580869408e-06 5.76 -6.866952395e-06 -6.866952395e-06 5.78 -6.209018167e-06 -6.209018167e-06 5.80 -5.603591780e-06 -5.603591780e-06 5.82 -5.047333243e-06 -5.047333243e-06 5.84 -4.537040212e-06 -4.537040212e-06 5.86 -4.069649610e-06 -4.069649610e-06 5.88 -3.642238267e-06 -3.642238267e-06 5.90 -3.252022697e-06 -3.252022697e-06 5.92 -2.896358095e-06 -2.896358095e-06 5.94 -2.572736653e-06 -2.572736653e-06 5.96 -2.278785282e-06 -2.278785282e-06 5.98 -2.012262810e-06 -2.012262810e-06 6.00 -1.771056741e-06 -1.771056741e-06