📄 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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