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📄 distance.dat

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 ________ Method = pair_limiting _________ K1=           2  and K2=           3 _____ result _____ijk[-1, 0, 0]: { 0.025, 2.722, 2.725} and {-0.016, 5.413, 5.443} =>  3.825 Aijk[-1, 0,-1]: { 0.025, 2.722, 2.725} and {-0.016, 5.413,-5.438} =>  8.596 A ________ Method = pair_limiting _________ K1=           1  and K2=           2 _____ result _____ijk[ 0, 0, 0]: { 0.052, 0.052, 0.034} and { 0.025, 2.722, 2.725} =>  3.791 Aijk[ 0, 0,-1]: { 0.052, 0.052, 0.034} and { 0.025, 2.722,-8.156} =>  8.614 Aijk[ 0,-1, 0]: { 0.052, 0.052, 0.034} and { 0.025,-8.160, 2.725} =>  8.642 A ________ Method = all_shortest  _________ _____ result _____atoms  38 and  65 =>    1.69157atoms  22 and  65 =>    2.09774atoms   6 and  65 =>    2.09774atoms  32 and  48 =>    2.20676atoms  23 and  54 =>    2.25657atoms  26 and  54 =>    2.25657atoms  20 and  64 =>    2.27161atoms  29 and  64 =>    2.27161atoms   6 and  38 =>    2.29275atoms   2 and  33 =>    2.30153atoms   5 and  33 =>    2.30153atoms  19 and  50 =>    2.30429atoms  25 and  53 =>    2.30429atoms  22 and  50 =>    2.30905atoms  22 and  53 =>    2.30905atoms  24 and  55 =>    2.31071atoms  30 and  58 =>    2.31071atoms   8 and  36 =>    2.31292atoms  14 and  45 =>    2.31292atoms  24 and  40 =>    2.31438atoms  30 and  46 =>    2.31438atoms  12 and  43 =>    2.31560atoms  15 and  43 =>    2.31560atoms  16 and  54 =>    2.31583atoms  16 and  48 =>    2.31678atoms  12 and  50 =>    2.32176atoms  15 and  53 =>    2.32176atoms   1 and  33 =>    2.32251atoms  27 and  43 =>    2.32256atoms  23 and  51 =>    2.32665atoms  26 and  57 =>    2.32665atoms  23 and  39 =>    2.32836atoms  26 and  42 =>    2.32836atoms   2 and  46 =>    2.33059atoms   5 and  40 =>    2.33059atoms   2 and  34 =>    2.33065atoms   5 and  37 =>    2.33065atoms   3 and  57 =>    2.33156atoms   9 and  51 =>    2.33156atoms   7 and  38 =>    2.33627atoms  10 and  38 =>    2.33627atoms   7 and  39 =>    2.33657atoms  10 and  42 =>    2.33657atoms  17 and  52 =>    2.34183atoms  17 and  61 =>    2.34183atoms  28 and  44 =>    2.34206atoms  31 and  47 =>    2.34206atoms  12 and  40 =>    2.34255atoms  15 and  46 =>    2.34255atoms  32 and  64 =>    2.34366atoms   7 and  61 =>    2.34552atoms  10 and  52 =>    2.34552atoms  11 and  49 =>    2.34629atoms  20 and  36 =>    2.34759atoms  29 and  45 =>    2.34759atoms  19 and  51 =>    2.34843atoms  25 and  57 =>    2.34843atoms  32 and  60 =>    2.34874atoms  32 and  63 =>    2.34874atoms  20 and  51 =>    2.34996atoms  29 and  57 =>    2.34996atoms  18 and  34 =>    2.35240atoms  21 and  37 =>    2.35240atoms  19 and  63 =>    2.35428atoms  25 and  60 =>    2.35428atoms   2 and  60 =>    2.35452atoms   5 and  63 =>    2.35452atoms   6 and  34 =>    2.35669atoms   6 and  37 =>    2.35669atoms   8 and  62 =>    2.35762atoms  14 and  56 =>    2.35762atoms   4 and  58 =>    2.35776atoms  13 and  55 =>    2.35776atoms  11 and  43 =>    2.35786atoms   7 and  35 =>    2.35827atoms  10 and  41 =>    2.35827atoms   8 and  39 =>    2.36208atoms  14 and  42 =>    2.36208atoms   8 and  40 =>    2.36235atoms  14 and  46 =>    2.36235atoms  11 and  39 =>    2.36334atoms  11 and  42 =>    2.36334atoms   3 and  34 =>    2.36391atoms   9 and  37 =>    2.36391atoms  24 and  52 =>    2.36652atoms  30 and  61 =>    2.36652atoms   1 and  36 =>    2.36787atoms   1 and  45 =>    2.36787atoms  17 and  49 =>    2.36868atoms  23 and  55 =>    2.36900atoms  26 and  58 =>    2.36900atoms   1 and  59 =>    2.37390atoms   3 and  35 =>    2.37469atoms   9 and  41 =>    2.37469atoms  16 and  44 =>    2.37531atoms  16 and  47 =>    2.37531atoms  18 and  50 =>    2.37535atoms  21 and  53 =>    2.37535atoms  12 and  44 =>    2.37802atoms  15 and  47 =>    2.37802atoms  28 and  56 =>    2.37942atoms  31 and  62 =>    2.37942atoms  17 and  33 =>    2.37999atoms  19 and  35 =>    2.38023atoms  25 and  41 =>    2.38023atoms  18 and  62 =>    2.38245atoms  21 and  56 =>    2.38245atoms   3 and  47 =>    2.38328atoms   9 and  44 =>    2.38328atoms  27 and  55 =>    2.38349atoms  27 and  58 =>    2.38349atoms   6 and  64 =>    2.38358atoms  28 and  60 =>    2.38660atoms  31 and  63 =>    2.38660atoms  28 and  59 =>    2.38685atoms  31 and  59 =>    2.38685atoms  18 and  49 =>    2.38776atoms  21 and  49 =>    2.38776atoms  24 and  56 =>    2.39152atoms  30 and  62 =>    2.39152atoms  27 and  59 =>    2.40300atoms   4 and  36 =>    2.40726atoms  13 and  45 =>    2.40726atoms   4 and  48 =>    2.41476atoms  13 and  48 =>    2.41476atoms  20 and  52 =>    2.41865atoms  29 and  61 =>    2.41865atoms  22 and  54 =>    2.43808atoms   4 and  35 =>    2.46323atoms  13 and  41 =>    2.46323atoms  34 and  65 =>    3.02347atoms  37 and  65 =>    3.02347atoms  22 and  38 =>    3.04420atoms  50 and  65 =>    3.09359atoms  53 and  65 =>    3.09359atoms  18 and  65 =>    3.19713atoms  21 and  65 =>    3.19713atoms   7 and  65 =>    3.48047atoms  10 and  65 =>    3.48047atoms  38 and  52 =>    3.53102atoms  38 and  61 =>    3.53102atoms  16 and  22 =>    3.54065atoms  12 and  22 =>    3.65450atoms  15 and  22 =>    3.65450atoms  38 and  64 =>    3.67879atoms   6 and  20 =>    3.72464atoms   6 and  29 =>    3.72464atoms  44 and  50 =>    3.73070atoms  47 and  53 =>    3.73070atoms  16 and  23 =>    3.73834atoms  16 and  26 =>    3.73834atoms  12 and  27 =>    3.74330atoms  15 and  27 =>    3.74330atoms  48 and  64 =>    3.74472atoms  44 and  48 =>    3.75020atoms  47 and  48 =>    3.75020atoms  39 and  55 =>    3.75039atoms  42 and  58 =>    3.75039atoms  18 and  22 =>    3.75108atoms  21 and  22 =>    3.75108atoms  36 and  64 =>    3.75282atoms  45 and  64 =>    3.75282atoms   4 and  13 =>    3.75577atoms  54 and  55 =>    3.75621atoms  54 and  58 =>    3.75621atoms   7 and  23 =>    3.75738atoms  10 and  26 =>    3.75738atoms  52 and  61 =>    3.75766atoms   1 and  17 =>    3.75791atoms  60 and  64 =>    3.76023atoms  63 and  64 =>    3.76023atoms  39 and  54 =>    3.76280atoms  42 and  54 =>    3.76280atoms  12 and  24 =>    3.76302atoms  15 and  30 =>    3.76302atoms  36 and  40 =>    3.76509atoms  45 and  46 =>    3.76509atoms   3 and  25 =>    3.76649atoms   9 and  19 =>    3.76649atoms  43 and  50 =>    3.77052atoms  43 and  53 =>    3.77052atoms  40 and  50 =>    3.77667atoms  46 and  53 =>    3.77667atoms  20 and  29 =>    3.77913atoms  33 and  34 =>    3.78036atoms  33 and  37 =>    3.78036atoms  33 and  40 =>    3.78069atoms  33 and  46 =>    3.78069atoms  48 and  60 =>    3.78293atoms  48 and  63 =>    3.78293atoms  33 and  60 =>    3.78533atoms  33 and  63 =>    3.78533atoms  40 and  55 =>    3.78955atoms  46 and  58 =>    3.78955atoms   2 and   6 =>    3.78984atoms   5 and   6 =>    3.78984atoms  51 and  55 =>    3.78987atoms  57 and  58 =>    3.78987atoms  44 and  47 =>    3.79016atoms   1 and   2 =>    3.79085atoms   1 and   5 =>    3.79085atoms  11 and  27 =>    3.79139atoms   8 and  12 =>    3.79307atoms  14 and  15 =>    3.79307atoms   4 and  27 =>    3.79462atoms  13 and  27 =>    3.79462atoms  19 and  23 =>    3.79588atoms  25 and  26 =>    3.79588atoms  28 and  32 =>    3.79776atoms  31 and  32 =>    3.79776atoms  50 and  63 =>    3.79954atoms  53 and  60 =>    3.79954atoms   4 and  32 =>    3.79979atoms  13 and  32 =>    3.79979atoms  34 and  60 =>    3.79992atoms  37 and  63 =>    3.79992atoms  12 and  28 =>    3.80035atoms  15 and  31 =>    3.80035atoms  18 and  19 =>    3.80112atoms  21 and  25 =>    3.80112atoms  40 and  56 =>    3.80151atoms  46 and  62 =>    3.80151atoms  11 and  12 =>    3.80426atoms  11 and  15 =>    3.80426atoms  20 and  32 =>    3.80558atoms  29 and  32 =>    3.80558atoms  60 and  63 =>    3.80671atoms   7 and  30 =>    3.80794atoms  10 and  24 =>    3.80794atoms   3 and  29 =>    3.80828atoms   9 and  20 =>    3.80828atoms   7 and   8 =>    3.80838atoms  10 and  14 =>    3.80838atoms   4 and  30 =>    3.80967atoms  13 and  24 =>    3.80967atoms   8 and  24 =>    3.81154atoms  14 and  30 =>    3.81154atoms   1 and   8 =>    3.81284atoms   1 and  14 =>    3.81284atoms  34 and  37 =>    3.81343atoms  19 and  20 =>    3.81362atoms  25 and  29 =>    3.81362atoms   2 and   5 =>    3.81366atoms  50 and  51 =>    3.81368atoms  53 and  57 =>    3.81368atoms  36 and  52 =>    3.81436atoms  45 and  61 =>    3.81436atoms  43 and  44 =>    3.81496atoms  43 and  47 =>    3.81496atoms   2 and  17 =>    3.81658atoms   5 and  17 =>    3.81658atoms  34 and  46 =>    3.81716atoms  37 and  40 =>    3.81716atoms  36 and  39 =>    3.81915atoms  42 and  45 =>    3.81915atoms  33 and  59 =>    3.82186atoms  39 and  51 =>    3.82328atoms  42 and  57 =>    3.82328atoms   2 and  25 =>    3.82337atoms   5 and  19 =>    3.82337atoms  16 and  32 =>    3.82354atoms   2 and   3 =>    3.82535atoms   5 and   9 =>    3.82535atoms  34 and  38 =>    3.82539atoms  37 and  38 =>    3.82539atoms  23 and  26 =>    3.82639atoms  17 and  24 =>    3.82732atoms  17 and  30 =>    3.82732atoms   7 and  11 =>    3.82789atoms  10 and  11 =>    3.82789atoms  35 and  63 =>    3.82954atoms  41 and  60 =>    3.82954atoms  48 and  54 =>    3.83049atoms  19 and  31 =>    3.83129atoms  25 and  28 =>    3.83129atoms  40 and  52 =>    3.83142atoms  46 and  61 =>    3.83142atoms  49 and  52 =>    3.83193atoms  49 and  61 =>    3.83193atoms  50 and  62 =>    3.83290atoms  53 and  56 =>    3.83290atoms   2 and  15 =>    3.83366atoms   5 and  12 =>    3.83366atoms  36 and  51 =>    3.83426atoms  45 and  57 =>    3.83426atoms   4 and   8 =>    3.83435atoms  13 and  14 =>    3.83435atoms  43 and  55 =>    3.83463atoms  43 and  58 =>    3.83463atoms   3 and  31 =>    3.83509atoms   9 and  28 =>    3.83509atoms  39 and  62 =>    3.83521atoms  42 and  56 =>    3.83521atoms  34 and  35 =>    3.83562atoms  37 and  41 =>    3.83562atoms  51 and  54 =>    3.83570atoms  54 and  57 =>    3.83570atoms   3 and  26 =>    3.83595atoms   9 and  23 =>    3.83595atoms  35 and  51 =>    3.83629atoms  41 and  57 =>    3.83629atoms  18 and  31 =>    3.83693atoms  21 and  28 =>    3.83693atoms   3 and  18 =>    3.83757atoms   9 and  21 =>    3.83757atoms  51 and  63 =>    3.83807atoms  57 and  60 =>    3.83807atoms  19 and  22 =>    3.83856atoms  22 and  25 =>    3.83856atoms  43 and  49 =>    3.83913atoms   3 and   6 =>    3.84020atoms   6 and   9 =>    3.84020atoms  39 and  40 =>    3.84042atoms  42 and  46 =>    3.84042atoms  49 and  56 =>    3.84050atoms  49 and  62 =>    3.84050atoms  55 and  56 =>    3.84098atoms  58 and  62 =>    3.84098atoms   2 and  14 =>    3.84167atoms   5 and   8 =>    3.84167atoms  11 and  23 =>    3.84234atoms  11 and  26 =>    3.84234atoms  39 and  49 =>    3.84318atoms  42 and  49 =>    3.84318atoms  39 and  43 =>    3.84383atoms  42 and  43 =>    3.84383atoms   2 and  18 =>    3.84400atoms   5 and  21 =>    3.84400atoms   4 and  16 =>    3.84597atoms  13 and  16 =>    3.84597atoms  18 and  21 =>    3.84614atoms   8 and  31 =>    3.84675atoms  14 and  28 =>    3.84675atoms  36 and  59 =>    3.84683atoms  45 and  59 =>    3.84683atoms  35 and  38 =>    3.85039atoms  38 and  41 =>    3.85039atoms  44 and  51 =>    3.85197atoms  47 and  57 =>    3.85197atoms  35 and  47 =>    3.85268atoms  41 and  44 =>    3.85268atoms   2 and  30 =>    3.85411atoms   5 and  24 =>    3.85411atoms  59 and  62 =>    3.85427atoms  56 and  59 =>    3.85427atoms   4 and  20 =>    3.85538atoms  13 and  29 =>    3.85538atoms   1 and  20 =>    3.85571atoms   1 and  29 =>    3.85571atoms   3 and  16 =>    3.85630atoms   9 and  16 =>    3.85630atoms   6 and  32 =>    3.85637atoms  36 and  62 =>    3.85661atoms  45 and  56 =>    3.85661atoms  44 and  59 =>    3.85668atoms  47 and  59 =>    3.85668atoms  51 and  52 =>    3.85732atoms  57 and  61 =>    3.85732atoms  52 and  55 =>    3.85768atoms  58 and  61 =>    3.85768atoms  40 and  63 =>    3.85852atoms  46 and  60 =>    3.85852atoms  35 and  57 =>    3.85890atoms  41 and  51 =>    3.85890atoms  34 and  62 =>    3.85900atoms  37 and  56 =>    3.85900atoms   1 and   4 =>    3.85910atoms   1 and  13 =>    3.85910atoms   4 and  26 =>    3.86002atoms  13 and  23 =>    3.86002atoms   4 and   7 =>    3.86013atoms  10 and  13 =>    3.86013atoms  52 and  56 =>    3.86021atoms  61 and  62 =>    3.86021atoms  39 and  61 =>    3.86027atoms  42 and  52 =>    3.86027atoms  34 and  49 =>    3.86082atoms  37 and  49 =>    3.86082atoms  33 and  36 =>    3.86125atoms  33 and  45 =>    3.86125atoms  23 and  24 =>    3.86201atoms  26 and  30 =>    3.86201atoms  34 and  57 =>    3.86230atoms  37 and  51 =>    3.86230atoms  52 and  64 =>    3.86254atoms  61 and  64 =>    3.86254atoms  33 and  49 =>    3.86311atoms  51 and  64 =>    3.86312atoms  57 and  64 =>    3.86312atoms  36 and  45 =>    3.86352atoms  59 and  60 =>    3.86374atoms  59 and  63 =>    3.86374atoms  35 and  48 =>    3.86375atoms  41 and  48 =>    3.86375atoms  12 and  19 =>    3.86617atoms  15 and  25 =>    3.86617

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