# Fileset [phono3py_mlp_eval_fc3_disp.yaml.xz](https://mdr.nims.go.jp/filesets/9566fde3-1c00-4028-aaf3-a0598de782cd/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for RbNdSe2 / R-3m (166) / materials id 10779](https://mdr.nims.go.jp/datasets/90586eae-6da4-4d46-b444-1e85c964d0e7) ## Fulltext phono3py: version: "3.21.0" frequency\_unit\_conversion\_factor: 15.633302 symmetry\_tolerance: 1.00000e-05 space\_group: type: "R-3m" number: 166 Hall\_symbol: "-R 3 2\\"" primitive\_matrix: - \[ 0.666666666666667, -0.333333333333333, -0.333333333333333 \] - \[ 0.333333333333333, 0.333333333333333, -0.666666666666667 \] - \[ 0.333333333333333, 0.333333333333333, 0.333333333333333 \] supercell\_matrix: - \[ 3, 0, 0 \] - \[ 0, 3, 0 \] - \[ 0, 0, 1 \] primitive\_cell: lattice: - \[ 2.157947478825407, 1.245891557796920, 7.898112683333324 \] # a - \[ -2.157947478825402, 1.245891557796920, 7.898112683333324 \] # b - \[ 0.000000000000001, -2.491783115593844, 7.898112683333324 \] # c points: - symbol: Se # 1 coordinates: \[ 0.233942289264204, 0.233942289264205, 0.233942289264204 \] mass: 78.960000 - symbol: Se # 2 coordinates: \[ 0.766057710735796, 0.766057710735795, 0.766057710735796 \] mass: 78.960000 - symbol: Rb # 3 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.000000000000000 \] mass: 85.467800 - symbol: Nd # 4 coordinates: \[ 0.500000000000000, 0.500000000000001, 0.500000000000000 \] mass: 144.242000 reciprocal\_lattice: # without 2pi - \[ 0.231701653958768, 0.133773012284776, 0.042204175440132 \] # a\* - \[ -0.231701653958768, 0.133773012284776, 0.042204175440132 \] # b\* - \[ -0.000000000000000, -0.267546024569553, 0.042204175440132 \] # c\* unit\_cell: lattice: - \[ 4.315894957650809, 0.000000000000000, 0.000000000000000 \] # a - \[ -2.157947478825403, 3.737674673390764, 0.000000000000000 \] # b - \[ 0.000000000000000, 0.000000000000000, 23.694338049999999 \] # c points: - symbol: Se # 1 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.233942289264204 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 2 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.099391044069129 \] mass: 78.960000 reduced\_to: 2 - symbol: Se # 3 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.567275622597538 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 4 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.432724377402462 \] mass: 78.960000 reduced\_to: 2 - symbol: Se # 5 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.900608955930871 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 6 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.766057710735796 \] mass: 78.960000 reduced\_to: 2 - symbol: Rb # 7 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.000000000000000 \] mass: 85.467800 reduced\_to: 7 - symbol: Rb # 8 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.333333333333333 \] mass: 85.467800 reduced\_to: 7 - symbol: Rb # 9 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.666666666666667 \] mass: 85.467800 reduced\_to: 7 - symbol: Nd # 10 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.166666666666667 \] mass: 144.242000 reduced\_to: 10 - symbol: Nd # 11 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.500000000000000 \] mass: 144.242000 reduced\_to: 10 - symbol: Nd # 12 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.833333333333333 \] mass: 144.242000 reduced\_to: 10 supercell: lattice: - \[ 12.947684872952429, 0.000000000000000, 0.000000000000000 \] # a - \[ -6.473842436476209, 11.213024020172293, 0.000000000000000 \] # b - \[ 0.000000000000000, 0.000000000000000, 23.694338049999999 \] # c points: - symbol: Se # 1 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.233942289264204 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 2 coordinates: \[ 0.333333333333333, 0.000000000000000, 0.233942289264204 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 3 coordinates: \[ 0.666666666666667, 0.000000000000000, 0.233942289264204 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 4 coordinates: \[ 0.000000000000000, 0.333333333333333, 0.233942289264204 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 5 coordinates: \[ 0.333333333333333, 0.333333333333333, 0.233942289264204 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 6 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.233942289264204 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 7 coordinates: \[ 0.000000000000000, 0.666666666666667, 0.233942289264204 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 8 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.233942289264204 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 9 coordinates: \[ 0.666666666666667, 0.666666666666667, 0.233942289264204 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 10 coordinates: \[ 0.222222222222222, 0.111111111111111, 0.099391044069129 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 11 coordinates: \[ 0.555555555555556, 0.111111111111111, 0.099391044069129 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 12 coordinates: \[ 0.888888888888889, 0.111111111111111, 0.099391044069129 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 13 coordinates: \[ 0.222222222222222, 0.444444444444444, 0.099391044069129 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 14 coordinates: \[ 0.555555555555556, 0.444444444444444, 0.099391044069129 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 15 coordinates: \[ 0.888888888888889, 0.444444444444444, 0.099391044069129 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 16 coordinates: \[ 0.222222222222222, 0.777777777777778, 0.099391044069129 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 17 coordinates: \[ 0.555555555555556, 0.777777777777778, 0.099391044069129 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 18 coordinates: \[ 0.888888888888889, 0.777777777777778, 0.099391044069129 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 19 coordinates: \[ 0.222222222222222, 0.111111111111111, 0.567275622597538 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 20 coordinates: \[ 0.555555555555556, 0.111111111111111, 0.567275622597538 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 21 coordinates: \[ 0.888888888888889, 0.111111111111111, 0.567275622597538 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 22 coordinates: \[ 0.222222222222222, 0.444444444444444, 0.567275622597538 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 23 coordinates: \[ 0.555555555555556, 0.444444444444444, 0.567275622597538 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 24 coordinates: \[ 0.888888888888889, 0.444444444444444, 0.567275622597538 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 25 coordinates: \[ 0.222222222222222, 0.777777777777778, 0.567275622597538 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 26 coordinates: \[ 0.555555555555556, 0.777777777777778, 0.567275622597538 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 27 coordinates: \[ 0.888888888888889, 0.777777777777778, 0.567275622597538 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 28 coordinates: \[ 0.111111111111111, 0.222222222222222, 0.432724377402462 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 29 coordinates: \[ 0.444444444444444, 0.222222222222222, 0.432724377402462 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 30 coordinates: \[ 0.777777777777778, 0.222222222222222, 0.432724377402462 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 31 coordinates: \[ 0.111111111111111, 0.555555555555556, 0.432724377402462 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 32 coordinates: \[ 0.444444444444444, 0.555555555555556, 0.432724377402462 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 33 coordinates: \[ 0.777777777777778, 0.555555555555556, 0.432724377402462 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 34 coordinates: \[ 0.111111111111111, 0.888888888888889, 0.432724377402462 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 35 coordinates: \[ 0.444444444444444, 0.888888888888889, 0.432724377402462 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 36 coordinates: \[ 0.777777777777778, 0.888888888888889, 0.432724377402462 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 37 coordinates: \[ 0.111111111111111, 0.222222222222222, 0.900608955930871 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 38 coordinates: \[ 0.444444444444444, 0.222222222222222, 0.900608955930871 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 39 coordinates: \[ 0.777777777777778, 0.222222222222222, 0.900608955930871 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 40 coordinates: \[ 0.111111111111111, 0.555555555555556, 0.900608955930871 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 41 coordinates: \[ 0.444444444444444, 0.555555555555556, 0.900608955930871 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 42 coordinates: \[ 0.777777777777778, 0.555555555555556, 0.900608955930871 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 43 coordinates: \[ 0.111111111111111, 0.888888888888889, 0.900608955930871 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 44 coordinates: \[ 0.444444444444444, 0.888888888888889, 0.900608955930871 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 45 coordinates: \[ 0.777777777777778, 0.888888888888889, 0.900608955930871 \] mass: 78.960000 reduced\_to: 1 - symbol: Se # 46 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.766057710735796 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 47 coordinates: \[ 0.333333333333333, 0.000000000000000, 0.766057710735796 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 48 coordinates: \[ 0.666666666666667, 0.000000000000000, 0.766057710735796 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 49 coordinates: \[ 0.000000000000000, 0.333333333333333, 0.766057710735796 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 50 coordinates: \[ 0.333333333333333, 0.333333333333333, 0.766057710735796 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 51 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.766057710735796 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 52 coordinates: \[ 0.000000000000000, 0.666666666666667, 0.766057710735796 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 53 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.766057710735796 \] mass: 78.960000 reduced\_to: 10 - symbol: Se # 54 coordinates: \[ 0.666666666666667, 0.666666666666667, 0.766057710735796 \] mass: 78.960000 reduced\_to: 10 - symbol: Rb # 55 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.000000000000000 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 56 coordinates: \[ 0.333333333333333, 0.000000000000000, 0.000000000000000 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 57 coordinates: \[ 0.666666666666667, 0.000000000000000, 0.000000000000000 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 58 coordinates: \[ 0.000000000000000, 0.333333333333333, 0.000000000000000 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 59 coordinates: \[ 0.333333333333333, 0.333333333333333, 0.000000000000000 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 60 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.000000000000000 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 61 coordinates: \[ 0.000000000000000, 0.666666666666667, 0.000000000000000 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 62 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.000000000000000 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 63 coordinates: \[ 0.666666666666667, 0.666666666666667, 0.000000000000000 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 64 coordinates: \[ 0.222222222222222, 0.111111111111111, 0.333333333333333 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 65 coordinates: \[ 0.555555555555556, 0.111111111111111, 0.333333333333333 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 66 coordinates: \[ 0.888888888888889, 0.111111111111111, 0.333333333333333 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 67 coordinates: \[ 0.222222222222222, 0.444444444444444, 0.333333333333333 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 68 coordinates: \[ 0.555555555555556, 0.444444444444444, 0.333333333333333 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 69 coordinates: \[ 0.888888888888889, 0.444444444444444, 0.333333333333333 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 70 coordinates: \[ 0.222222222222222, 0.777777777777778, 0.333333333333333 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 71 coordinates: \[ 0.555555555555556, 0.777777777777778, 0.333333333333333 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 72 coordinates: \[ 0.888888888888889, 0.777777777777778, 0.333333333333333 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 73 coordinates: \[ 0.111111111111111, 0.222222222222222, 0.666666666666667 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 74 coordinates: \[ 0.444444444444444, 0.222222222222222, 0.666666666666667 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 75 coordinates: \[ 0.777777777777778, 0.222222222222222, 0.666666666666667 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 76 coordinates: \[ 0.111111111111111, 0.555555555555556, 0.666666666666667 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 77 coordinates: \[ 0.444444444444444, 0.555555555555556, 0.666666666666667 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 78 coordinates: \[ 0.777777777777778, 0.555555555555556, 0.666666666666667 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 79 coordinates: \[ 0.111111111111111, 0.888888888888889, 0.666666666666667 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 80 coordinates: \[ 0.444444444444444, 0.888888888888889, 0.666666666666667 \] mass: 85.467800 reduced\_to: 55 - symbol: Rb # 81 coordinates: \[ 0.777777777777778, 0.888888888888889, 0.666666666666667 \] mass: 85.467800 reduced\_to: 55 - symbol: Nd # 82 coordinates: \[ 0.111111111111111, 0.222222222222222, 0.166666666666667 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 83 coordinates: \[ 0.444444444444444, 0.222222222222222, 0.166666666666667 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 84 coordinates: \[ 0.777777777777778, 0.222222222222222, 0.166666666666667 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 85 coordinates: \[ 0.111111111111111, 0.555555555555556, 0.166666666666667 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 86 coordinates: \[ 0.444444444444444, 0.555555555555556, 0.166666666666667 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 87 coordinates: \[ 0.777777777777778, 0.555555555555556, 0.166666666666667 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 88 coordinates: \[ 0.111111111111111, 0.888888888888889, 0.166666666666667 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 89 coordinates: \[ 0.444444444444444, 0.888888888888889, 0.166666666666667 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 90 coordinates: \[ 0.777777777777778, 0.888888888888889, 0.166666666666667 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 91 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.500000000000000 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 92 coordinates: \[ 0.333333333333333, 0.000000000000000, 0.500000000000000 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 93 coordinates: \[ 0.666666666666667, 0.000000000000000, 0.500000000000000 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 94 coordinates: \[ 0.000000000000000, 0.333333333333333, 0.500000000000000 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 95 coordinates: \[ 0.333333333333333, 0.333333333333333, 0.500000000000000 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 96 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.500000000000000 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 97 coordinates: \[ 0.000000000000000, 0.666666666666667, 0.500000000000000 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 98 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.500000000000000 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 99 coordinates: \[ 0.666666666666667, 0.666666666666667, 0.500000000000000 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 100 coordinates: \[ 0.222222222222222, 0.111111111111111, 0.833333333333333 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 101 coordinates: \[ 0.555555555555556, 0.111111111111111, 0.833333333333333 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 102 coordinates: \[ 0.888888888888889, 0.111111111111111, 0.833333333333333 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 103 coordinates: \[ 0.222222222222222, 0.444444444444444, 0.833333333333333 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 104 coordinates: \[ 0.555555555555556, 0.444444444444444, 0.833333333333333 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 105 coordinates: \[ 0.888888888888889, 0.444444444444444, 0.833333333333333 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 106 coordinates: \[ 0.222222222222222, 0.777777777777778, 0.833333333333333 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 107 coordinates: \[ 0.555555555555556, 0.777777777777778, 0.833333333333333 \] mass: 144.242000 reduced\_to: 82 - symbol: Nd # 108 coordinates: \[ 0.888888888888889, 0.777777777777778, 0.833333333333333 \] mass: 144.242000 reduced\_to: 82 nac: born\_effective\_charge: - # 1 (Se) - \[ -2.979133800000000, 0.000000000000000, 0.000000000000000 \] - \[ 0.000000000000000, -2.979133800000000, 0.000000000000000 \] - \[ 0.000000000000000, 0.000000000000000, -1.870907140000000 \] - # 2 (Se) - \[ -2.979133800000000, 0.000000000000000, 0.000000000000000 \] - \[ 0.000000000000000, -2.979133800000000, 0.000000000000000 \] - \[ 0.000000000000000, 0.000000000000000, -1.870907140000000 \] - # 3 (Rb) - \[ 1.093756609999999, -0.000000000000000, 0.000000000000000 \] - \[ 0.000000000000000, 1.093756609999999, 0.000000000000000 \] - \[ 0.000000000000000, 0.000000000000000, 1.897946790000000 \] - # 4 (Nd) - \[ 4.864510990000002, -0.000000000000000, 0.000000000000000 \] - \[ 0.000000000000000, 4.864510990000002, 0.000000000000000 \] - \[ 0.000000000000000, 0.000000000000000, 1.843867490000000 \] dielectric\_constant: - \[ 6.819223120000003, 0.000000000000000, 0.000000000000000 \] - \[ 0.000000000000000, 6.819223120000003, 0.000000000000000 \] - \[ 0.000000000000000, 0.000000000000000, 4.638779069999999 \] unit\_conversion\_factor: 14.399652 displacement\_pairs: - atom: 1 displacement: \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] displacement\_id: 1 paired\_with: - atom: 1 pair\_distance: 0.00000000 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 13, 14, 15, 16, 17, 18 \] - atom: 2 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 19, 20, 21, 22, 23, 24 \] - atom: 3 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 25, 26, 27, 28, 29, 30 \] - atom: 4 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 31, 32, 33, 34, 35, 36 \] - atom: 5 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 37, 38, 39, 40, 41, 42 \] - atom: 6 pair\_distance: 7.47534935 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 43, 44, 45, 46, 47, 48 \] - atom: 7 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 49, 50, 51, 52, 53, 54 \] - atom: 8 pair\_distance: 7.47534935 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 55, 56, 57, 58, 59, 60 \] - atom: 9 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 61, 62, 63, 64, 65, 66 \] - atom: 10 pair\_distance: 4.04635414 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 67, 68, 69, 70, 71, 72 \] - atom: 11 pair\_distance: 7.32303765 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 73, 74, 75, 76, 77, 78 \] - atom: 12 pair\_distance: 4.04635414 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 79, 80, 81, 82, 83, 84 \] - atom: 13 pair\_distance: 5.91607396 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 85, 86, 87, 88, 89, 90 \] - atom: 14 pair\_distance: 7.32303765 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 91, 92, 93, 94, 95, 96 \] - atom: 15 pair\_distance: 7.32303765 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 97, 98, 99, 100, 101, 102 \] - atom: 16 pair\_distance: 5.91607396 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 103, 104, 105, 106, 107, 108 \] - atom: 17 pair\_distance: 5.91607396 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 109, 110, 111, 112, 113, 114 \] - atom: 18 pair\_distance: 4.04635414 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 115, 116, 117, 118, 119, 120 \] - atom: 19 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 121, 122, 123, 124, 125, 126 \] - atom: 20 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 127, 128, 129, 130, 131, 132 \] - atom: 21 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 133, 134, 135, 136, 137, 138 \] - atom: 22 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 139, 140, 141, 142, 143, 144 \] - atom: 23 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 145, 146, 147, 148, 149, 150 \] - atom: 24 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 151, 152, 153, 154, 155, 156 \] - atom: 25 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 157, 158, 159, 160, 161, 162 \] - atom: 26 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 163, 164, 165, 166, 167, 168 \] - atom: 27 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 169, 170, 171, 172, 173, 174 \] - atom: 28 pair\_distance: 5.32852487 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 175, 176, 177, 178, 179, 180 \] - atom: 29 pair\_distance: 6.85712232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 181, 182, 183, 184, 185, 186 \] - atom: 30 pair\_distance: 6.85712232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 187, 188, 189, 190, 191, 192 \] - atom: 31 pair\_distance: 8.10228831 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 193, 194, 195, 196, 197, 198 \] - atom: 32 pair\_distance: 8.10228831 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 199, 200, 201, 202, 203, 204 \] - atom: 33 pair\_distance: 6.85712232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 205, 206, 207, 208, 209, 210 \] - atom: 34 pair\_distance: 5.32852487 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 211, 212, 213, 214, 215, 216 \] - atom: 35 pair\_distance: 8.10228831 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 217, 218, 219, 220, 221, 222 \] - atom: 36 pair\_distance: 5.32852487 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 223, 224, 225, 226, 227, 228 \] - atom: 37 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 229, 230, 231, 232, 233, 234 \] - atom: 38 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 235, 236, 237, 238, 239, 240 \] - atom: 39 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 241, 242, 243, 244, 245, 246 \] - atom: 40 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 247, 248, 249, 250, 251, 252 \] - atom: 41 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 253, 254, 255, 256, 257, 258 \] - atom: 42 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 259, 260, 261, 262, 263, 264 \] - atom: 43 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 265, 266, 267, 268, 269, 270 \] - atom: 44 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 271, 272, 273, 274, 275, 276 \] - atom: 45 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 277, 278, 279, 280, 281, 282 \] - atom: 46 pair\_distance: 11.08621537 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 283, 284, 285, 286, 287, 288 \] - atom: 47 pair\_distance: 11.89668528 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 289, 290, 291, 292, 293, 294 \] - atom: 48 pair\_distance: 11.89668528 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 295, 296, 297, 298, 299, 300 \] - atom: 49 pair\_distance: 11.89668528 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 301, 302, 303, 304, 305, 306 \] - atom: 50 pair\_distance: 11.89668528 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 307, 308, 309, 310, 311, 312 \] - atom: 51 pair\_distance: 13.37105153 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 313, 314, 315, 316, 317, 318 \] - atom: 52 pair\_distance: 11.89668528 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 319, 320, 321, 322, 323, 324 \] - atom: 53 pair\_distance: 13.37105153 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 325, 326, 327, 328, 329, 330 \] - atom: 54 pair\_distance: 11.89668528 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 331, 332, 333, 334, 335, 336 \] - atom: 55 pair\_distance: 5.54310769 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 337, 338, 339, 340, 341, 342 \] - atom: 56 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 343, 344, 345, 346, 347, 348 \] - atom: 57 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 349, 350, 351, 352, 353, 354 \] - atom: 58 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 355, 356, 357, 358, 359, 360 \] - atom: 59 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 361, 362, 363, 364, 365, 366 \] - atom: 60 pair\_distance: 9.30628232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 367, 368, 369, 370, 371, 372 \] - atom: 61 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 373, 374, 375, 376, 377, 378 \] - atom: 62 pair\_distance: 9.30628232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 379, 380, 381, 382, 383, 384 \] - atom: 63 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 385, 386, 387, 388, 389, 390 \] - atom: 64 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 391, 392, 393, 394, 395, 396 \] - atom: 65 pair\_distance: 7.00063784 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 397, 398, 399, 400, 401, 402 \] - atom: 66 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 403, 404, 405, 406, 407, 408 \] - atom: 67 pair\_distance: 5.51198521 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 409, 410, 411, 412, 413, 414 \] - atom: 68 pair\_distance: 7.00063784 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 415, 416, 417, 418, 419, 420 \] - atom: 69 pair\_distance: 7.00063784 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 421, 422, 423, 424, 425, 426 \] - atom: 70 pair\_distance: 5.51198521 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 427, 428, 429, 430, 431, 432 \] - atom: 71 pair\_distance: 5.51198521 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 433, 434, 435, 436, 437, 438 \] - atom: 72 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 439, 440, 441, 442, 443, 444 \] - atom: 73 pair\_distance: 10.55155938 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 445, 446, 447, 448, 449, 450 \] - atom: 74 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 451, 452, 453, 454, 455, 456 \] - atom: 75 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 457, 458, 459, 460, 461, 462 \] - atom: 76 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 463, 464, 465, 466, 467, 468 \] - atom: 77 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 469, 470, 471, 472, 473, 474 \] - atom: 78 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 475, 476, 477, 478, 479, 480 \] - atom: 79 pair\_distance: 10.55155938 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 481, 482, 483, 484, 485, 486 \] - atom: 80 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 487, 488, 489, 490, 491, 492 \] - atom: 81 pair\_distance: 10.55155938 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 493, 494, 495, 496, 497, 498 \] - atom: 82 pair\_distance: 2.95803698 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 499, 500, 501, 502, 503, 504 \] - atom: 83 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 505, 506, 507, 508, 509, 510 \] - atom: 84 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 511, 512, 513, 514, 515, 516 \] - atom: 85 pair\_distance: 6.78261611 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 517, 518, 519, 520, 521, 522 \] - atom: 86 pair\_distance: 6.78261611 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 523, 524, 525, 526, 527, 528 \] - atom: 87 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 529, 530, 531, 532, 533, 534 \] - atom: 88 pair\_distance: 2.95803698 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 535, 536, 537, 538, 539, 540 \] - atom: 89 pair\_distance: 6.78261611 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 541, 542, 543, 544, 545, 546 \] - atom: 90 pair\_distance: 2.95803698 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 547, 548, 549, 550, 551, 552 \] - atom: 91 pair\_distance: 6.30406134 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 553, 554, 555, 556, 557, 558 \] - atom: 92 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 559, 560, 561, 562, 563, 564 \] - atom: 93 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 565, 566, 567, 568, 569, 570 \] - atom: 94 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 571, 572, 573, 574, 575, 576 \] - atom: 95 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 577, 578, 579, 580, 581, 582 \] - atom: 96 pair\_distance: 9.77865212 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 583, 584, 585, 586, 587, 588 \] - atom: 97 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 589, 590, 591, 592, 593, 594 \] - atom: 98 pair\_distance: 9.77865212 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 595, 596, 597, 598, 599, 600 \] - atom: 99 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 601, 602, 603, 604, 605, 606 \] - atom: 100 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 607, 608, 609, 610, 611, 612 \] - atom: 101 pair\_distance: 11.55699181 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 613, 614, 615, 616, 617, 618 \] - atom: 102 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 619, 620, 621, 622, 623, 624 \] - atom: 103 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 625, 626, 627, 628, 629, 630 \] - atom: 104 pair\_distance: 11.55699181 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 631, 632, 633, 634, 635, 636 \] - atom: 105 pair\_distance: 11.55699181 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 637, 638, 639, 640, 641, 642 \] - atom: 106 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 643, 644, 645, 646, 647, 648 \] - atom: 107 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 649, 650, 651, 652, 653, 654 \] - atom: 108 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 655, 656, 657, 658, 659, 660 \] - atom: 1 displacement: \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] displacement\_id: 2 paired\_with: - atom: 1 pair\_distance: 0.00000000 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 661, 662, 663, 664, 665, 666 \] - atom: 2 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 667, 668, 669, 670, 671, 672 \] - atom: 3 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 673, 674, 675, 676, 677, 678 \] - atom: 4 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 679, 680, 681, 682, 683, 684 \] - atom: 5 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 685, 686, 687, 688, 689, 690 \] - atom: 6 pair\_distance: 7.47534935 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 691, 692, 693, 694, 695, 696 \] - atom: 7 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 697, 698, 699, 700, 701, 702 \] - atom: 8 pair\_distance: 7.47534935 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 703, 704, 705, 706, 707, 708 \] - atom: 9 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 709, 710, 711, 712, 713, 714 \] - atom: 10 pair\_distance: 4.04635414 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 715, 716, 717, 718, 719, 720 \] - atom: 11 pair\_distance: 7.32303765 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 721, 722, 723, 724, 725, 726 \] - atom: 12 pair\_distance: 4.04635414 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 727, 728, 729, 730, 731, 732 \] - atom: 13 pair\_distance: 5.91607396 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 733, 734, 735, 736, 737, 738 \] - atom: 14 pair\_distance: 7.32303765 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 739, 740, 741, 742, 743, 744 \] - atom: 15 pair\_distance: 7.32303765 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 745, 746, 747, 748, 749, 750 \] - atom: 16 pair\_distance: 5.91607396 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 751, 752, 753, 754, 755, 756 \] - atom: 17 pair\_distance: 5.91607396 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 757, 758, 759, 760, 761, 762 \] - atom: 18 pair\_distance: 4.04635414 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 763, 764, 765, 766, 767, 768 \] - atom: 19 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 769, 770, 771, 772, 773, 774 \] - atom: 20 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 775, 776, 777, 778, 779, 780 \] - atom: 21 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 781, 782, 783, 784, 785, 786 \] - atom: 22 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 787, 788, 789, 790, 791, 792 \] - atom: 23 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 793, 794, 795, 796, 797, 798 \] - atom: 24 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 799, 800, 801, 802, 803, 804 \] - atom: 25 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 805, 806, 807, 808, 809, 810 \] - atom: 26 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 811, 812, 813, 814, 815, 816 \] - atom: 27 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 817, 818, 819, 820, 821, 822 \] - atom: 28 pair\_distance: 5.32852487 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 823, 824, 825, 826, 827, 828 \] - atom: 29 pair\_distance: 6.85712232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 829, 830, 831, 832, 833, 834 \] - atom: 30 pair\_distance: 6.85712232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 835, 836, 837, 838, 839, 840 \] - atom: 31 pair\_distance: 8.10228831 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 841, 842, 843, 844, 845, 846 \] - atom: 32 pair\_distance: 8.10228831 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 847, 848, 849, 850, 851, 852 \] - atom: 33 pair\_distance: 6.85712232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 853, 854, 855, 856, 857, 858 \] - atom: 34 pair\_distance: 5.32852487 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 859, 860, 861, 862, 863, 864 \] - atom: 35 pair\_distance: 8.10228831 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 865, 866, 867, 868, 869, 870 \] - atom: 36 pair\_distance: 5.32852487 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 871, 872, 873, 874, 875, 876 \] - atom: 37 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 877, 878, 879, 880, 881, 882 \] - atom: 38 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 883, 884, 885, 886, 887, 888 \] - atom: 39 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 889, 890, 891, 892, 893, 894 \] - atom: 40 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 895, 896, 897, 898, 899, 900 \] - atom: 41 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 901, 902, 903, 904, 905, 906 \] - atom: 42 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 907, 908, 909, 910, 911, 912 \] - atom: 43 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 913, 914, 915, 916, 917, 918 \] - atom: 44 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 919, 920, 921, 922, 923, 924 \] - atom: 45 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 925, 926, 927, 928, 929, 930 \] - atom: 46 pair\_distance: 11.08621537 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 931, 932, 933, 934, 935, 936 \] - atom: 47 pair\_distance: 11.89668528 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 937, 938, 939, 940, 941, 942 \] - atom: 48 pair\_distance: 11.89668528 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 943, 944, 945, 946, 947, 948 \] - atom: 49 pair\_distance: 11.89668528 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 949, 950, 951, 952, 953, 954 \] - atom: 50 pair\_distance: 11.89668528 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 955, 956, 957, 958, 959, 960 \] - atom: 51 pair\_distance: 13.37105153 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 961, 962, 963, 964, 965, 966 \] - atom: 52 pair\_distance: 11.89668528 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 967, 968, 969, 970, 971, 972 \] - atom: 53 pair\_distance: 13.37105153 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 973, 974, 975, 976, 977, 978 \] - atom: 54 pair\_distance: 11.89668528 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 979, 980, 981, 982, 983, 984 \] - atom: 55 pair\_distance: 5.54310769 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 985, 986, 987, 988, 989, 990 \] - atom: 56 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 991, 992, 993, 994, 995, 996 \] - atom: 57 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 997, 998, 999, 1000, 1001, 1002 \] - atom: 58 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1003, 1004, 1005, 1006, 1007, 1008 \] - atom: 59 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1009, 1010, 1011, 1012, 1013, 1014 \] - atom: 60 pair\_distance: 9.30628232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1015, 1016, 1017, 1018, 1019, 1020 \] - atom: 61 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1021, 1022, 1023, 1024, 1025, 1026 \] - atom: 62 pair\_distance: 9.30628232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1027, 1028, 1029, 1030, 1031, 1032 \] - atom: 63 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1033, 1034, 1035, 1036, 1037, 1038 \] - atom: 64 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1039, 1040, 1041, 1042, 1043, 1044 \] - atom: 65 pair\_distance: 7.00063784 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1045, 1046, 1047, 1048, 1049, 1050 \] - atom: 66 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1051, 1052, 1053, 1054, 1055, 1056 \] - atom: 67 pair\_distance: 5.51198521 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1057, 1058, 1059, 1060, 1061, 1062 \] - atom: 68 pair\_distance: 7.00063784 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1063, 1064, 1065, 1066, 1067, 1068 \] - atom: 69 pair\_distance: 7.00063784 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1069, 1070, 1071, 1072, 1073, 1074 \] - atom: 70 pair\_distance: 5.51198521 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1075, 1076, 1077, 1078, 1079, 1080 \] - atom: 71 pair\_distance: 5.51198521 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1081, 1082, 1083, 1084, 1085, 1086 \] - atom: 72 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1087, 1088, 1089, 1090, 1091, 1092 \] - atom: 73 pair\_distance: 10.55155938 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1093, 1094, 1095, 1096, 1097, 1098 \] - atom: 74 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1099, 1100, 1101, 1102, 1103, 1104 \] - atom: 75 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1105, 1106, 1107, 1108, 1109, 1110 \] - atom: 76 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1111, 1112, 1113, 1114, 1115, 1116 \] - atom: 77 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1117, 1118, 1119, 1120, 1121, 1122 \] - atom: 78 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1123, 1124, 1125, 1126, 1127, 1128 \] - atom: 79 pair\_distance: 10.55155938 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1129, 1130, 1131, 1132, 1133, 1134 \] - atom: 80 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1135, 1136, 1137, 1138, 1139, 1140 \] - atom: 81 pair\_distance: 10.55155938 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1141, 1142, 1143, 1144, 1145, 1146 \] - atom: 82 pair\_distance: 2.95803698 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1147, 1148, 1149, 1150, 1151, 1152 \] - atom: 83 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1153, 1154, 1155, 1156, 1157, 1158 \] - atom: 84 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1159, 1160, 1161, 1162, 1163, 1164 \] - atom: 85 pair\_distance: 6.78261611 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1165, 1166, 1167, 1168, 1169, 1170 \] - atom: 86 pair\_distance: 6.78261611 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1171, 1172, 1173, 1174, 1175, 1176 \] - atom: 87 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1177, 1178, 1179, 1180, 1181, 1182 \] - atom: 88 pair\_distance: 2.95803698 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1183, 1184, 1185, 1186, 1187, 1188 \] - atom: 89 pair\_distance: 6.78261611 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1189, 1190, 1191, 1192, 1193, 1194 \] - atom: 90 pair\_distance: 2.95803698 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1195, 1196, 1197, 1198, 1199, 1200 \] - atom: 91 pair\_distance: 6.30406134 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1201, 1202, 1203, 1204, 1205, 1206 \] - atom: 92 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1207, 1208, 1209, 1210, 1211, 1212 \] - atom: 93 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1213, 1214, 1215, 1216, 1217, 1218 \] - atom: 94 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1219, 1220, 1221, 1222, 1223, 1224 \] - atom: 95 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1225, 1226, 1227, 1228, 1229, 1230 \] - atom: 96 pair\_distance: 9.77865212 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1231, 1232, 1233, 1234, 1235, 1236 \] - atom: 97 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1237, 1238, 1239, 1240, 1241, 1242 \] - atom: 98 pair\_distance: 9.77865212 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1243, 1244, 1245, 1246, 1247, 1248 \] - atom: 99 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1249, 1250, 1251, 1252, 1253, 1254 \] - atom: 100 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1255, 1256, 1257, 1258, 1259, 1260 \] - atom: 101 pair\_distance: 11.55699181 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1261, 1262, 1263, 1264, 1265, 1266 \] - atom: 102 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1267, 1268, 1269, 1270, 1271, 1272 \] - atom: 103 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1273, 1274, 1275, 1276, 1277, 1278 \] - atom: 104 pair\_distance: 11.55699181 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1279, 1280, 1281, 1282, 1283, 1284 \] - atom: 105 pair\_distance: 11.55699181 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1285, 1286, 1287, 1288, 1289, 1290 \] - atom: 106 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1291, 1292, 1293, 1294, 1295, 1296 \] - atom: 107 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1297, 1298, 1299, 1300, 1301, 1302 \] - atom: 108 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1303, 1304, 1305, 1306, 1307, 1308 \] - atom: 1 displacement: \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_id: 3 paired\_with: - atom: 1 pair\_distance: 0.00000000 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1309, 1310 \] - atom: 2 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1311, 1312, 1313, 1314, 1315, 1316 \] - atom: 6 pair\_distance: 7.47534935 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1317, 1318 \] - atom: 8 pair\_distance: 7.47534935 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1319, 1320 \] - atom: 10 pair\_distance: 4.04635414 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1321, 1322, 1323, 1324 \] - atom: 11 pair\_distance: 7.32303765 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1325, 1326, 1327, 1328 \] - atom: 13 pair\_distance: 5.91607396 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1329, 1330, 1331, 1332 \] - atom: 19 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1333, 1334, 1335, 1336 \] - atom: 20 pair\_distance: 10.28800591 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1337, 1338, 1339, 1340 \] - atom: 22 pair\_distance: 9.33895692 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1341, 1342, 1343, 1344 \] - atom: 28 pair\_distance: 5.32852487 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1345, 1346, 1347, 1348 \] - atom: 29 pair\_distance: 6.85712232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1349, 1350, 1351, 1352 \] - atom: 31 pair\_distance: 8.10228831 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1353, 1354, 1355, 1356 \] - atom: 37 pair\_distance: 8.28185771 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1357, 1358, 1359, 1360 \] - atom: 38 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1361, 1362, 1363, 1364 \] - atom: 40 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1365, 1366, 1367, 1368 \] - atom: 46 pair\_distance: 11.08621537 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1369, 1370 \] - atom: 47 pair\_distance: 11.89668528 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1371, 1372, 1373, 1374, 1375, 1376 \] - atom: 51 pair\_distance: 13.37105153 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1377, 1378 \] - atom: 53 pair\_distance: 13.37105153 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1379, 1380 \] - atom: 55 pair\_distance: 5.54310769 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1381, 1382 \] - atom: 56 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1383, 1384, 1385, 1386, 1387, 1388 \] - atom: 60 pair\_distance: 9.30628232 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1389, 1390 \] - atom: 62 pair\_distance: 9.30628232 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1391, 1392 \] - atom: 64 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1393, 1394, 1395, 1396 \] - atom: 65 pair\_distance: 7.00063784 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1397, 1398, 1399, 1400 \] - atom: 67 pair\_distance: 5.51198521 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1401, 1402, 1403, 1404 \] - atom: 73 pair\_distance: 10.55155938 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1405, 1406, 1407, 1408 \] - atom: 74 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1409, 1410, 1411, 1412 \] - atom: 76 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1413, 1414, 1415, 1416 \] - atom: 82 pair\_distance: 2.95803698 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1417, 1418, 1419, 1420 \] - atom: 83 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1421, 1422, 1423, 1424 \] - atom: 85 pair\_distance: 6.78261611 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1425, 1426, 1427, 1428 \] - atom: 91 pair\_distance: 6.30406134 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1429, 1430 \] - atom: 92 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1431, 1432, 1433, 1434, 1435, 1436 \] - atom: 96 pair\_distance: 9.77865212 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1437, 1438 \] - atom: 98 pair\_distance: 9.77865212 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1439, 1440 \] - atom: 100 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1441, 1442, 1443, 1444 \] - atom: 101 pair\_distance: 11.55699181 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1445, 1446, 1447, 1448 \] - atom: 103 pair\_distance: 10.72087265 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1449, 1450, 1451, 1452 \] - atom: 1 displacement: \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_id: 4 paired\_with: - atom: 1 pair\_distance: 0.00000000 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1453, 1454 \] - atom: 2 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1455, 1456, 1457, 1458, 1459, 1460 \] - atom: 6 pair\_distance: 7.47534935 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1461, 1462 \] - atom: 8 pair\_distance: 7.47534935 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1463, 1464 \] - atom: 10 pair\_distance: 4.04635414 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1465, 1466, 1467, 1468 \] - atom: 11 pair\_distance: 7.32303765 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1469, 1470, 1471, 1472 \] - atom: 13 pair\_distance: 5.91607396 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1473, 1474, 1475, 1476 \] - atom: 19 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1477, 1478, 1479, 1480 \] - atom: 20 pair\_distance: 10.28800591 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1481, 1482, 1483, 1484 \] - atom: 22 pair\_distance: 9.33895692 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1485, 1486, 1487, 1488 \] - atom: 28 pair\_distance: 5.32852487 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1489, 1490, 1491, 1492 \] - atom: 29 pair\_distance: 6.85712232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1493, 1494, 1495, 1496 \] - atom: 31 pair\_distance: 8.10228831 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1497, 1498, 1499, 1500 \] - atom: 37 pair\_distance: 8.28185771 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1501, 1502, 1503, 1504 \] - atom: 38 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1505, 1506, 1507, 1508 \] - atom: 40 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1509, 1510, 1511, 1512 \] - atom: 46 pair\_distance: 11.08621537 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1513, 1514 \] - atom: 47 pair\_distance: 11.89668528 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1515, 1516, 1517, 1518, 1519, 1520 \] - atom: 51 pair\_distance: 13.37105153 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1521, 1522 \] - atom: 53 pair\_distance: 13.37105153 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1523, 1524 \] - atom: 55 pair\_distance: 5.54310769 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1525, 1526 \] - atom: 56 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1527, 1528, 1529, 1530, 1531, 1532 \] - atom: 60 pair\_distance: 9.30628232 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1533, 1534 \] - atom: 62 pair\_distance: 9.30628232 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1535, 1536 \] - atom: 64 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1537, 1538, 1539, 1540 \] - atom: 65 pair\_distance: 7.00063784 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1541, 1542, 1543, 1544 \] - atom: 67 pair\_distance: 5.51198521 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1545, 1546, 1547, 1548 \] - atom: 73 pair\_distance: 10.55155938 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1549, 1550, 1551, 1552 \] - atom: 74 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1553, 1554, 1555, 1556 \] - atom: 76 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1557, 1558, 1559, 1560 \] - atom: 82 pair\_distance: 2.95803698 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1561, 1562, 1563, 1564 \] - atom: 83 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1565, 1566, 1567, 1568 \] - atom: 85 pair\_distance: 6.78261611 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1569, 1570, 1571, 1572 \] - atom: 91 pair\_distance: 6.30406134 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1573, 1574 \] - atom: 92 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1575, 1576, 1577, 1578, 1579, 1580 \] - atom: 96 pair\_distance: 9.77865212 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1581, 1582 \] - atom: 98 pair\_distance: 9.77865212 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 1583, 1584 \] - atom: 100 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1585, 1586, 1587, 1588 \] - atom: 101 pair\_distance: 11.55699181 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1589, 1590, 1591, 1592 \] - atom: 103 pair\_distance: 10.72087265 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1593, 1594, 1595, 1596 \] - atom: 55 displacement: \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] displacement\_id: 5 paired\_with: - atom: 1 pair\_distance: 5.54310769 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1597, 1598, 1599, 1600, 1601, 1602 \] - atom: 2 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1603, 1604, 1605, 1606, 1607, 1608 \] - atom: 3 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1609, 1610, 1611, 1612, 1613, 1614 \] - atom: 4 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1615, 1616, 1617, 1618, 1619, 1620 \] - atom: 5 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1621, 1622, 1623, 1624, 1625, 1626 \] - atom: 6 pair\_distance: 9.30628232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1627, 1628, 1629, 1630, 1631, 1632 \] - atom: 7 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1633, 1634, 1635, 1636, 1637, 1638 \] - atom: 8 pair\_distance: 9.30628232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1639, 1640, 1641, 1642, 1643, 1644 \] - atom: 9 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1645, 1646, 1647, 1648, 1649, 1650 \] - atom: 10 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1651, 1652, 1653, 1654, 1655, 1656 \] - atom: 11 pair\_distance: 7.00063784 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1657, 1658, 1659, 1660, 1661, 1662 \] - atom: 12 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1663, 1664, 1665, 1666, 1667, 1668 \] - atom: 13 pair\_distance: 5.51198521 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1669, 1670, 1671, 1672, 1673, 1674 \] - atom: 14 pair\_distance: 7.00063784 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1675, 1676, 1677, 1678, 1679, 1680 \] - atom: 15 pair\_distance: 7.00063784 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1681, 1682, 1683, 1684, 1685, 1686 \] - atom: 16 pair\_distance: 5.51198521 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1687, 1688, 1689, 1690, 1691, 1692 \] - atom: 17 pair\_distance: 5.51198521 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1693, 1694, 1695, 1696, 1697, 1698 \] - atom: 18 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1699, 1700, 1701, 1702, 1703, 1704 \] - atom: 19 pair\_distance: 10.55155938 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1705, 1706, 1707, 1708, 1709, 1710 \] - atom: 20 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1711, 1712, 1713, 1714, 1715, 1716 \] - atom: 21 pair\_distance: 10.55155938 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1717, 1718, 1719, 1720, 1721, 1722 \] - atom: 22 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1723, 1724, 1725, 1726, 1727, 1728 \] - atom: 23 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1729, 1730, 1731, 1732, 1733, 1734 \] - atom: 24 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1735, 1736, 1737, 1738, 1739, 1740 \] - atom: 25 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1741, 1742, 1743, 1744, 1745, 1746 \] - atom: 26 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1747, 1748, 1749, 1750, 1751, 1752 \] - atom: 27 pair\_distance: 10.55155938 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1753, 1754, 1755, 1756, 1757, 1758 \] - atom: 55 pair\_distance: 0.00000000 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 1759, 1760, 1761 \] - atom: 56 pair\_distance: 4.31589496 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 1762, 1763, 1764 \] - atom: 57 pair\_distance: 4.31589496 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 1765, 1766, 1767 \] - atom: 58 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1768, 1769, 1770, 1771, 1772, 1773 \] - atom: 59 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1774, 1775, 1776, 1777, 1778, 1779 \] - atom: 60 pair\_distance: 7.47534935 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1780, 1781, 1782, 1783, 1784, 1785 \] - atom: 64 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1786, 1787, 1788, 1789, 1790, 1791 \] - atom: 65 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1792, 1793, 1794, 1795, 1796, 1797 \] - atom: 66 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1798, 1799, 1800, 1801, 1802, 1803 \] - atom: 67 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1804, 1805, 1806, 1807, 1808, 1809 \] - atom: 68 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1810, 1811, 1812, 1813, 1814, 1815 \] - atom: 69 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1816, 1817, 1818, 1819, 1820, 1821 \] - atom: 70 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1822, 1823, 1824, 1825, 1826, 1827 \] - atom: 71 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1828, 1829, 1830, 1831, 1832, 1833 \] - atom: 72 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1834, 1835, 1836, 1837, 1838, 1839 \] - atom: 82 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1840, 1841, 1842, 1843, 1844, 1845 \] - atom: 83 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1846, 1847, 1848, 1849, 1850, 1851 \] - atom: 84 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1852, 1853, 1854, 1855, 1856, 1857 \] - atom: 85 pair\_distance: 7.68491559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1858, 1859, 1860, 1861, 1862, 1863 \] - atom: 86 pair\_distance: 7.68491559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1864, 1865, 1866, 1867, 1868, 1869 \] - atom: 87 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1870, 1871, 1872, 1873, 1874, 1875 \] - atom: 88 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1876, 1877, 1878, 1879, 1880, 1881 \] - atom: 89 pair\_distance: 7.68491559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1882, 1883, 1884, 1885, 1886, 1887 \] - atom: 90 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1888, 1889, 1890, 1891, 1892, 1893 \] - atom: 91 pair\_distance: 11.84716902 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 1894, 1895, 1896 \] - atom: 92 pair\_distance: 12.60882085 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 1897, 1898, 1899 \] - atom: 93 pair\_distance: 12.60882085 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 1900, 1901, 1902 \] - atom: 94 pair\_distance: 12.60882085 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1903, 1904, 1905, 1906, 1907, 1908 \] - atom: 95 pair\_distance: 12.60882085 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1909, 1910, 1911, 1912, 1913, 1914 \] - atom: 96 pair\_distance: 14.00843538 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1915, 1916, 1917, 1918, 1919, 1920 \] - atom: 55 displacement: \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] displacement\_id: 6 paired\_with: - atom: 1 pair\_distance: 5.54310769 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1921, 1922, 1923, 1924, 1925, 1926 \] - atom: 2 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1927, 1928, 1929, 1930, 1931, 1932 \] - atom: 3 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1933, 1934, 1935, 1936, 1937, 1938 \] - atom: 4 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1939, 1940, 1941, 1942, 1943, 1944 \] - atom: 5 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1945, 1946, 1947, 1948, 1949, 1950 \] - atom: 6 pair\_distance: 9.30628232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1951, 1952, 1953, 1954, 1955, 1956 \] - atom: 7 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1957, 1958, 1959, 1960, 1961, 1962 \] - atom: 8 pair\_distance: 9.30628232 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1963, 1964, 1965, 1966, 1967, 1968 \] - atom: 9 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1969, 1970, 1971, 1972, 1973, 1974 \] - atom: 10 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1975, 1976, 1977, 1978, 1979, 1980 \] - atom: 11 pair\_distance: 7.00063784 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1981, 1982, 1983, 1984, 1985, 1986 \] - atom: 12 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1987, 1988, 1989, 1990, 1991, 1992 \] - atom: 13 pair\_distance: 5.51198521 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1993, 1994, 1995, 1996, 1997, 1998 \] - atom: 14 pair\_distance: 7.00063784 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1999, 2000, 2001, 2002, 2003, 2004 \] - atom: 15 pair\_distance: 7.00063784 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2005, 2006, 2007, 2008, 2009, 2010 \] - atom: 16 pair\_distance: 5.51198521 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2011, 2012, 2013, 2014, 2015, 2016 \] - atom: 17 pair\_distance: 5.51198521 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2017, 2018, 2019, 2020, 2021, 2022 \] - atom: 18 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2023, 2024, 2025, 2026, 2027, 2028 \] - atom: 19 pair\_distance: 10.55155938 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2029, 2030, 2031, 2032, 2033, 2034 \] - atom: 20 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2035, 2036, 2037, 2038, 2039, 2040 \] - atom: 21 pair\_distance: 10.55155938 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2041, 2042, 2043, 2044, 2045, 2046 \] - atom: 22 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2047, 2048, 2049, 2050, 2051, 2052 \] - atom: 23 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2053, 2054, 2055, 2056, 2057, 2058 \] - atom: 24 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2059, 2060, 2061, 2062, 2063, 2064 \] - atom: 25 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2065, 2066, 2067, 2068, 2069, 2070 \] - atom: 26 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2071, 2072, 2073, 2074, 2075, 2076 \] - atom: 27 pair\_distance: 10.55155938 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2077, 2078, 2079, 2080, 2081, 2082 \] - atom: 55 pair\_distance: 0.00000000 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 2083, 2084, 2085 \] - atom: 56 pair\_distance: 4.31589496 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 2086, 2087, 2088 \] - atom: 57 pair\_distance: 4.31589496 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 2089, 2090, 2091 \] - atom: 58 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2092, 2093, 2094, 2095, 2096, 2097 \] - atom: 59 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2098, 2099, 2100, 2101, 2102, 2103 \] - atom: 60 pair\_distance: 7.47534935 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2104, 2105, 2106, 2107, 2108, 2109 \] - atom: 64 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2110, 2111, 2112, 2113, 2114, 2115 \] - atom: 65 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2116, 2117, 2118, 2119, 2120, 2121 \] - atom: 66 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2122, 2123, 2124, 2125, 2126, 2127 \] - atom: 67 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2128, 2129, 2130, 2131, 2132, 2133 \] - atom: 68 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2134, 2135, 2136, 2137, 2138, 2139 \] - atom: 69 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2140, 2141, 2142, 2143, 2144, 2145 \] - atom: 70 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2146, 2147, 2148, 2149, 2150, 2151 \] - atom: 71 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2152, 2153, 2154, 2155, 2156, 2157 \] - atom: 72 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2158, 2159, 2160, 2161, 2162, 2163 \] - atom: 82 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2164, 2165, 2166, 2167, 2168, 2169 \] - atom: 83 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2170, 2171, 2172, 2173, 2174, 2175 \] - atom: 84 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2176, 2177, 2178, 2179, 2180, 2181 \] - atom: 85 pair\_distance: 7.68491559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2182, 2183, 2184, 2185, 2186, 2187 \] - atom: 86 pair\_distance: 7.68491559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2188, 2189, 2190, 2191, 2192, 2193 \] - atom: 87 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2194, 2195, 2196, 2197, 2198, 2199 \] - atom: 88 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2200, 2201, 2202, 2203, 2204, 2205 \] - atom: 89 pair\_distance: 7.68491559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2206, 2207, 2208, 2209, 2210, 2211 \] - atom: 90 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2212, 2213, 2214, 2215, 2216, 2217 \] - atom: 91 pair\_distance: 11.84716902 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 2218, 2219, 2220 \] - atom: 92 pair\_distance: 12.60882085 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 2221, 2222, 2223 \] - atom: 93 pair\_distance: 12.60882085 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 2224, 2225, 2226 \] - atom: 94 pair\_distance: 12.60882085 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2227, 2228, 2229, 2230, 2231, 2232 \] - atom: 95 pair\_distance: 12.60882085 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2233, 2234, 2235, 2236, 2237, 2238 \] - atom: 96 pair\_distance: 14.00843538 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2239, 2240, 2241, 2242, 2243, 2244 \] - atom: 55 displacement: \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_id: 7 paired\_with: - atom: 1 pair\_distance: 5.54310769 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2245, 2246 \] - atom: 2 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2247, 2248, 2249, 2250, 2251, 2252 \] - atom: 6 pair\_distance: 9.30628232 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2253, 2254 \] - atom: 8 pair\_distance: 9.30628232 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2255, 2256 \] - atom: 10 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2257, 2258, 2259, 2260 \] - atom: 11 pair\_distance: 7.00063784 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2261, 2262, 2263, 2264 \] - atom: 13 pair\_distance: 5.51198521 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2265, 2266, 2267, 2268 \] - atom: 19 pair\_distance: 10.55155938 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2269, 2270, 2271, 2272 \] - atom: 20 pair\_distance: 12.18972124 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2273, 2274, 2275, 2276 \] - atom: 22 pair\_distance: 11.40010327 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2277, 2278, 2279, 2280 \] - atom: 28 pair\_distance: 10.55155938 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2281, 2282, 2283, 2284 \] - atom: 29 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2285, 2286, 2287, 2288 \] - atom: 31 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2289, 2290, 2291, 2292 \] - atom: 37 pair\_distance: 3.42856116 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2293, 2294, 2295, 2296 \] - atom: 38 pair\_distance: 5.51198521 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2297, 2298, 2299, 2300 \] - atom: 40 pair\_distance: 7.00063784 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2301, 2302, 2303, 2304 \] - atom: 46 pair\_distance: 5.54310769 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2305, 2306 \] - atom: 47 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2307, 2308, 2309, 2310, 2311, 2312 \] - atom: 51 pair\_distance: 9.30628232 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2313, 2314 \] - atom: 53 pair\_distance: 9.30628232 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2315, 2316 \] - atom: 55 pair\_distance: 0.00000000 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2317, 2318 \] - atom: 56 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2319, 2320, 2321, 2322, 2323, 2324 \] - atom: 60 pair\_distance: 7.47534935 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2325, 2326 \] - atom: 62 pair\_distance: 7.47534935 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2327, 2328 \] - atom: 64 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2329, 2330, 2331, 2332 \] - atom: 65 pair\_distance: 10.28800591 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2333, 2334, 2335, 2336 \] - atom: 67 pair\_distance: 9.33895692 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2337, 2338, 2339, 2340 \] - atom: 73 pair\_distance: 8.28185771 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2341, 2342, 2343, 2344 \] - atom: 74 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2345, 2346, 2347, 2348 \] - atom: 76 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2349, 2350, 2351, 2352 \] - atom: 82 pair\_distance: 4.66947846 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2353, 2354, 2355, 2356 \] - atom: 83 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2357, 2358, 2359, 2360 \] - atom: 85 pair\_distance: 7.68491559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2361, 2362, 2363, 2364 \] - atom: 91 pair\_distance: 11.84716902 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2365, 2366 \] - atom: 92 pair\_distance: 12.60882085 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2367, 2368, 2369, 2370, 2371, 2372 \] - atom: 96 pair\_distance: 14.00843538 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2373, 2374 \] - atom: 98 pair\_distance: 14.00843538 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2375, 2376 \] - atom: 100 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2377, 2378, 2379, 2380 \] - atom: 101 pair\_distance: 7.68491559 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2381, 2382, 2383, 2384 \] - atom: 103 pair\_distance: 6.35853587 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2385, 2386, 2387, 2388 \] - atom: 55 displacement: \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_id: 8 paired\_with: - atom: 1 pair\_distance: 5.54310769 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2389, 2390 \] - atom: 2 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2391, 2392, 2393, 2394, 2395, 2396 \] - atom: 6 pair\_distance: 9.30628232 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2397, 2398 \] - atom: 8 pair\_distance: 9.30628232 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2399, 2400 \] - atom: 10 pair\_distance: 3.42856116 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2401, 2402, 2403, 2404 \] - atom: 11 pair\_distance: 7.00063784 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2405, 2406, 2407, 2408 \] - atom: 13 pair\_distance: 5.51198521 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2409, 2410, 2411, 2412 \] - atom: 19 pair\_distance: 10.55155938 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2413, 2414, 2415, 2416 \] - atom: 20 pair\_distance: 12.18972124 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2417, 2418, 2419, 2420 \] - atom: 22 pair\_distance: 11.40010327 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2421, 2422, 2423, 2424 \] - atom: 28 pair\_distance: 10.55155938 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2425, 2426, 2427, 2428 \] - atom: 29 pair\_distance: 11.40010327 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2429, 2430, 2431, 2432 \] - atom: 31 pair\_distance: 12.18972124 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2433, 2434, 2435, 2436 \] - atom: 37 pair\_distance: 3.42856116 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2437, 2438, 2439, 2440 \] - atom: 38 pair\_distance: 5.51198521 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2441, 2442, 2443, 2444 \] - atom: 40 pair\_distance: 7.00063784 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2445, 2446, 2447, 2448 \] - atom: 46 pair\_distance: 5.54310769 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2449, 2450 \] - atom: 47 pair\_distance: 7.02516848 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2451, 2452, 2453, 2454, 2455, 2456 \] - atom: 51 pair\_distance: 9.30628232 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2457, 2458 \] - atom: 53 pair\_distance: 9.30628232 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2459, 2460 \] - atom: 55 pair\_distance: 0.00000000 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2461, 2462 \] - atom: 56 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2463, 2464, 2465, 2466, 2467, 2468 \] - atom: 60 pair\_distance: 7.47534935 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2469, 2470 \] - atom: 62 pair\_distance: 7.47534935 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2471, 2472 \] - atom: 64 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2473, 2474, 2475, 2476 \] - atom: 65 pair\_distance: 10.28800591 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2477, 2478, 2479, 2480 \] - atom: 67 pair\_distance: 9.33895692 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2481, 2482, 2483, 2484 \] - atom: 73 pair\_distance: 8.28185771 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2485, 2486, 2487, 2488 \] - atom: 74 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2489, 2490, 2491, 2492 \] - atom: 76 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2493, 2494, 2495, 2496 \] - atom: 82 pair\_distance: 4.66947846 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2497, 2498, 2499, 2500 \] - atom: 83 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2501, 2502, 2503, 2504 \] - atom: 85 pair\_distance: 7.68491559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2505, 2506, 2507, 2508 \] - atom: 91 pair\_distance: 11.84716902 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2509, 2510 \] - atom: 92 pair\_distance: 12.60882085 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2511, 2512, 2513, 2514, 2515, 2516 \] - atom: 96 pair\_distance: 14.00843538 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2517, 2518 \] - atom: 98 pair\_distance: 14.00843538 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 2519, 2520 \] - atom: 100 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2521, 2522, 2523, 2524 \] - atom: 101 pair\_distance: 7.68491559 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2525, 2526, 2527, 2528 \] - atom: 103 pair\_distance: 6.35853587 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2529, 2530, 2531, 2532 \] - atom: 82 displacement: \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] displacement\_id: 9 paired\_with: - atom: 1 pair\_distance: 2.95803698 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2533, 2534, 2535, 2536, 2537, 2538 \] - atom: 2 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2539, 2540, 2541, 2542, 2543, 2544 \] - atom: 3 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2545, 2546, 2547, 2548, 2549, 2550 \] - atom: 4 pair\_distance: 2.95803698 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2551, 2552, 2553, 2554, 2555, 2556 \] - atom: 5 pair\_distance: 2.95803698 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2557, 2558, 2559, 2560, 2561, 2562 \] - atom: 6 pair\_distance: 6.78261611 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2563, 2564, 2565, 2566, 2567, 2568 \] - atom: 7 pair\_distance: 6.78261611 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2569, 2570, 2571, 2572, 2573, 2574 \] - atom: 8 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2575, 2576, 2577, 2578, 2579, 2580 \] - atom: 9 pair\_distance: 6.78261611 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2581, 2582, 2583, 2584, 2585, 2586 \] - atom: 19 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2587, 2588, 2589, 2590, 2591, 2592 \] - atom: 20 pair\_distance: 11.55699181 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2593, 2594, 2595, 2596, 2597, 2598 \] - atom: 21 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2599, 2600, 2601, 2602, 2603, 2604 \] - atom: 22 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2605, 2606, 2607, 2608, 2609, 2610 \] - atom: 23 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2611, 2612, 2613, 2614, 2615, 2616 \] - atom: 24 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2617, 2618, 2619, 2620, 2621, 2622 \] - atom: 25 pair\_distance: 11.55699181 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2623, 2624, 2625, 2626, 2627, 2628 \] - atom: 26 pair\_distance: 11.55699181 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2629, 2630, 2631, 2632, 2633, 2634 \] - atom: 27 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2635, 2636, 2637, 2638, 2639, 2640 \] - atom: 28 pair\_distance: 6.30406134 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2641, 2642, 2643, 2644, 2645, 2646 \] - atom: 29 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2647, 2648, 2649, 2650, 2651, 2652 \] - atom: 30 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2653, 2654, 2655, 2656, 2657, 2658 \] - atom: 31 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2659, 2660, 2661, 2662, 2663, 2664 \] - atom: 32 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2665, 2666, 2667, 2668, 2669, 2670 \] - atom: 33 pair\_distance: 9.77865212 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2671, 2672, 2673, 2674, 2675, 2676 \] - atom: 34 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2677, 2678, 2679, 2680, 2681, 2682 \] - atom: 35 pair\_distance: 9.77865212 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2683, 2684, 2685, 2686, 2687, 2688 \] - atom: 36 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2689, 2690, 2691, 2692, 2693, 2694 \] - atom: 55 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2695, 2696, 2697, 2698, 2699, 2700 \] - atom: 56 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2701, 2702, 2703, 2704, 2705, 2706 \] - atom: 57 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2707, 2708, 2709, 2710, 2711, 2712 \] - atom: 58 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2713, 2714, 2715, 2716, 2717, 2718 \] - atom: 59 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2719, 2720, 2721, 2722, 2723, 2724 \] - atom: 60 pair\_distance: 7.68491559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2725, 2726, 2727, 2728, 2729, 2730 \] - atom: 61 pair\_distance: 7.68491559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2731, 2732, 2733, 2734, 2735, 2736 \] - atom: 62 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2737, 2738, 2739, 2740, 2741, 2742 \] - atom: 63 pair\_distance: 7.68491559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2743, 2744, 2745, 2746, 2747, 2748 \] - atom: 73 pair\_distance: 11.84716902 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 2749, 2750, 2751 \] - atom: 74 pair\_distance: 12.60882085 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 2752, 2753, 2754 \] - atom: 75 pair\_distance: 12.60882085 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 2755, 2756, 2757 \] - atom: 76 pair\_distance: 12.60882085 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2758, 2759, 2760, 2761, 2762, 2763 \] - atom: 77 pair\_distance: 12.60882085 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2764, 2765, 2766, 2767, 2768, 2769 \] - atom: 78 pair\_distance: 14.00843538 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2770, 2771, 2772, 2773, 2774, 2775 \] - atom: 82 pair\_distance: 0.00000000 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 2776, 2777, 2778 \] - atom: 83 pair\_distance: 4.31589496 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 2779, 2780, 2781 \] - atom: 84 pair\_distance: 4.31589496 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 2782, 2783, 2784 \] - atom: 85 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2785, 2786, 2787, 2788, 2789, 2790 \] - atom: 86 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2791, 2792, 2793, 2794, 2795, 2796 \] - atom: 87 pair\_distance: 7.47534935 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2797, 2798, 2799, 2800, 2801, 2802 \] - atom: 91 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2803, 2804, 2805, 2806, 2807, 2808 \] - atom: 92 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2809, 2810, 2811, 2812, 2813, 2814 \] - atom: 93 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2815, 2816, 2817, 2818, 2819, 2820 \] - atom: 94 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2821, 2822, 2823, 2824, 2825, 2826 \] - atom: 95 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2827, 2828, 2829, 2830, 2831, 2832 \] - atom: 96 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2833, 2834, 2835, 2836, 2837, 2838 \] - atom: 97 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2839, 2840, 2841, 2842, 2843, 2844 \] - atom: 98 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2845, 2846, 2847, 2848, 2849, 2850 \] - atom: 99 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2851, 2852, 2853, 2854, 2855, 2856 \] - atom: 82 displacement: \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] displacement\_id: 10 paired\_with: - atom: 1 pair\_distance: 2.95803698 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2857, 2858, 2859, 2860, 2861, 2862 \] - atom: 2 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2863, 2864, 2865, 2866, 2867, 2868 \] - atom: 3 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2869, 2870, 2871, 2872, 2873, 2874 \] - atom: 4 pair\_distance: 2.95803698 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2875, 2876, 2877, 2878, 2879, 2880 \] - atom: 5 pair\_distance: 2.95803698 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2881, 2882, 2883, 2884, 2885, 2886 \] - atom: 6 pair\_distance: 6.78261611 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2887, 2888, 2889, 2890, 2891, 2892 \] - atom: 7 pair\_distance: 6.78261611 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2893, 2894, 2895, 2896, 2897, 2898 \] - atom: 8 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2899, 2900, 2901, 2902, 2903, 2904 \] - atom: 9 pair\_distance: 6.78261611 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2905, 2906, 2907, 2908, 2909, 2910 \] - atom: 19 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2911, 2912, 2913, 2914, 2915, 2916 \] - atom: 20 pair\_distance: 11.55699181 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2917, 2918, 2919, 2920, 2921, 2922 \] - atom: 21 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2923, 2924, 2925, 2926, 2927, 2928 \] - atom: 22 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2929, 2930, 2931, 2932, 2933, 2934 \] - atom: 23 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2935, 2936, 2937, 2938, 2939, 2940 \] - atom: 24 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2941, 2942, 2943, 2944, 2945, 2946 \] - atom: 25 pair\_distance: 11.55699181 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2947, 2948, 2949, 2950, 2951, 2952 \] - atom: 26 pair\_distance: 11.55699181 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2953, 2954, 2955, 2956, 2957, 2958 \] - atom: 27 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2959, 2960, 2961, 2962, 2963, 2964 \] - atom: 28 pair\_distance: 6.30406134 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2965, 2966, 2967, 2968, 2969, 2970 \] - atom: 29 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2971, 2972, 2973, 2974, 2975, 2976 \] - atom: 30 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2977, 2978, 2979, 2980, 2981, 2982 \] - atom: 31 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2983, 2984, 2985, 2986, 2987, 2988 \] - atom: 32 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2989, 2990, 2991, 2992, 2993, 2994 \] - atom: 33 pair\_distance: 9.77865212 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2995, 2996, 2997, 2998, 2999, 3000 \] - atom: 34 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3001, 3002, 3003, 3004, 3005, 3006 \] - atom: 35 pair\_distance: 9.77865212 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3007, 3008, 3009, 3010, 3011, 3012 \] - atom: 36 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3013, 3014, 3015, 3016, 3017, 3018 \] - atom: 55 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3019, 3020, 3021, 3022, 3023, 3024 \] - atom: 56 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3025, 3026, 3027, 3028, 3029, 3030 \] - atom: 57 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3031, 3032, 3033, 3034, 3035, 3036 \] - atom: 58 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3037, 3038, 3039, 3040, 3041, 3042 \] - atom: 59 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3043, 3044, 3045, 3046, 3047, 3048 \] - atom: 60 pair\_distance: 7.68491559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3049, 3050, 3051, 3052, 3053, 3054 \] - atom: 61 pair\_distance: 7.68491559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3055, 3056, 3057, 3058, 3059, 3060 \] - atom: 62 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3061, 3062, 3063, 3064, 3065, 3066 \] - atom: 63 pair\_distance: 7.68491559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3067, 3068, 3069, 3070, 3071, 3072 \] - atom: 73 pair\_distance: 11.84716902 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 3073, 3074, 3075 \] - atom: 74 pair\_distance: 12.60882085 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 3076, 3077, 3078 \] - atom: 75 pair\_distance: 12.60882085 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 3079, 3080, 3081 \] - atom: 76 pair\_distance: 12.60882085 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3082, 3083, 3084, 3085, 3086, 3087 \] - atom: 77 pair\_distance: 12.60882085 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3088, 3089, 3090, 3091, 3092, 3093 \] - atom: 78 pair\_distance: 14.00843538 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3094, 3095, 3096, 3097, 3098, 3099 \] - atom: 82 pair\_distance: 0.00000000 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 3100, 3101, 3102 \] - atom: 83 pair\_distance: 4.31589496 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 3103, 3104, 3105 \] - atom: 84 pair\_distance: 4.31589496 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_ids: \[ 3106, 3107, 3108 \] - atom: 85 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3109, 3110, 3111, 3112, 3113, 3114 \] - atom: 86 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3115, 3116, 3117, 3118, 3119, 3120 \] - atom: 87 pair\_distance: 7.47534935 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3121, 3122, 3123, 3124, 3125, 3126 \] - atom: 91 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3127, 3128, 3129, 3130, 3131, 3132 \] - atom: 92 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3133, 3134, 3135, 3136, 3137, 3138 \] - atom: 93 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3139, 3140, 3141, 3142, 3143, 3144 \] - atom: 94 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3145, 3146, 3147, 3148, 3149, 3150 \] - atom: 95 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3151, 3152, 3153, 3154, 3155, 3156 \] - atom: 96 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3157, 3158, 3159, 3160, 3161, 3162 \] - atom: 97 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3163, 3164, 3165, 3166, 3167, 3168 \] - atom: 98 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3169, 3170, 3171, 3172, 3173, 3174 \] - atom: 99 pair\_distance: 10.28800591 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3175, 3176, 3177, 3178, 3179, 3180 \] - atom: 82 displacement: \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_id: 11 paired\_with: - atom: 1 pair\_distance: 2.95803698 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3181, 3182, 3183, 3184 \] - atom: 2 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3185, 3186, 3187, 3188 \] - atom: 6 pair\_distance: 6.78261611 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3189, 3190, 3191, 3192 \] - atom: 10 pair\_distance: 2.95803698 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3193, 3194, 3195, 3196 \] - atom: 11 pair\_distance: 6.78261611 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3197, 3198, 3199, 3200 \] - atom: 14 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3201, 3202, 3203, 3204 \] - atom: 19 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3205, 3206, 3207, 3208 \] - atom: 20 pair\_distance: 11.55699181 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3209, 3210, 3211, 3212 \] - atom: 23 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3213, 3214, 3215, 3216 \] - atom: 28 pair\_distance: 6.30406134 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3217, 3218 \] - atom: 29 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3219, 3220, 3221, 3222, 3223, 3224 \] - atom: 33 pair\_distance: 9.77865212 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3225, 3226 \] - atom: 35 pair\_distance: 9.77865212 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3227, 3228 \] - atom: 37 pair\_distance: 6.30406134 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3229, 3230 \] - atom: 38 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3231, 3232, 3233, 3234, 3235, 3236 \] - atom: 42 pair\_distance: 9.77865212 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3237, 3238 \] - atom: 44 pair\_distance: 9.77865212 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3239, 3240 \] - atom: 46 pair\_distance: 9.81377405 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3241, 3242, 3243, 3244 \] - atom: 47 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3245, 3246, 3247, 3248 \] - atom: 51 pair\_distance: 11.55699181 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3249, 3250, 3251, 3252 \] - atom: 55 pair\_distance: 4.66947846 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3253, 3254, 3255, 3256 \] - atom: 56 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3257, 3258, 3259, 3260 \] - atom: 60 pair\_distance: 7.68491559 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3261, 3262, 3263, 3264 \] - atom: 64 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3265, 3266, 3267, 3268 \] - atom: 65 pair\_distance: 7.68491559 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3269, 3270, 3271, 3272 \] - atom: 68 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3273, 3274, 3275, 3276 \] - atom: 73 pair\_distance: 11.84716902 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3277, 3278 \] - atom: 74 pair\_distance: 12.60882085 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3279, 3280, 3281, 3282, 3283, 3284 \] - atom: 78 pair\_distance: 14.00843538 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3285, 3286 \] - atom: 80 pair\_distance: 14.00843538 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3287, 3288 \] - atom: 82 pair\_distance: 0.00000000 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3289, 3290 \] - atom: 83 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3291, 3292, 3293, 3294, 3295, 3296 \] - atom: 87 pair\_distance: 7.47534935 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3297, 3298 \] - atom: 89 pair\_distance: 7.47534935 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3299, 3300 \] - atom: 91 pair\_distance: 8.28185771 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3301, 3302, 3303, 3304 \] - atom: 92 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3305, 3306, 3307, 3308 \] - atom: 96 pair\_distance: 10.28800591 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3309, 3310, 3311, 3312 \] - atom: 100 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3313, 3314, 3315, 3316 \] - atom: 101 pair\_distance: 10.28800591 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3317, 3318, 3319, 3320 \] - atom: 104 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3321, 3322, 3323, 3324 \] - atom: 82 displacement: \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_id: 12 paired\_with: - atom: 1 pair\_distance: 2.95803698 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3325, 3326, 3327, 3328 \] - atom: 2 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3329, 3330, 3331, 3332 \] - atom: 6 pair\_distance: 6.78261611 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3333, 3334, 3335, 3336 \] - atom: 10 pair\_distance: 2.95803698 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3337, 3338, 3339, 3340 \] - atom: 11 pair\_distance: 6.78261611 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3341, 3342, 3343, 3344 \] - atom: 14 pair\_distance: 5.23229702 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3345, 3346, 3347, 3348 \] - atom: 19 pair\_distance: 9.81377405 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3349, 3350, 3351, 3352 \] - atom: 20 pair\_distance: 11.55699181 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3353, 3354, 3355, 3356 \] - atom: 23 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3357, 3358, 3359, 3360 \] - atom: 28 pair\_distance: 6.30406134 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3361, 3362 \] - atom: 29 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3363, 3364, 3365, 3366, 3367, 3368 \] - atom: 33 pair\_distance: 9.77865212 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3369, 3370 \] - atom: 35 pair\_distance: 9.77865212 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3371, 3372 \] - atom: 37 pair\_distance: 6.30406134 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3373, 3374 \] - atom: 38 pair\_distance: 7.63990436 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3375, 3376, 3377, 3378, 3379, 3380 \] - atom: 42 pair\_distance: 9.77865212 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3381, 3382 \] - atom: 44 pair\_distance: 9.77865212 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3383, 3384 \] - atom: 46 pair\_distance: 9.81377405 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3385, 3386, 3387, 3388 \] - atom: 47 pair\_distance: 10.72087265 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3389, 3390, 3391, 3392 \] - atom: 51 pair\_distance: 11.55699181 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3393, 3394, 3395, 3396 \] - atom: 55 pair\_distance: 4.66947846 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3397, 3398, 3399, 3400 \] - atom: 56 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3401, 3402, 3403, 3404 \] - atom: 60 pair\_distance: 7.68491559 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3405, 3406, 3407, 3408 \] - atom: 64 pair\_distance: 4.66947846 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3409, 3410, 3411, 3412 \] - atom: 65 pair\_distance: 7.68491559 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3413, 3414, 3415, 3416 \] - atom: 68 pair\_distance: 6.35853587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3417, 3418, 3419, 3420 \] - atom: 73 pair\_distance: 11.84716902 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3421, 3422 \] - atom: 74 pair\_distance: 12.60882085 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3423, 3424, 3425, 3426, 3427, 3428 \] - atom: 78 pair\_distance: 14.00843538 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3429, 3430 \] - atom: 80 pair\_distance: 14.00843538 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3431, 3432 \] - atom: 82 pair\_distance: 0.00000000 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3433, 3434 \] - atom: 83 pair\_distance: 4.31589496 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3435, 3436, 3437, 3438, 3439, 3440 \] - atom: 87 pair\_distance: 7.47534935 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3441, 3442 \] - atom: 89 pair\_distance: 7.47534935 displacements: - \[ 0.0047952277012373, 0.0000000000000000, 0.0087752943707483 \] - \[ -0.0047952277012373, 0.0000000000000000, -0.0087752943707483 \] displacement\_ids: \[ 3443, 3444 \] - atom: 91 pair\_distance: 8.28185771 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3445, 3446, 3447, 3448 \] - atom: 92 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3449, 3450, 3451, 3452 \] - atom: 96 pair\_distance: 10.28800591 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3453, 3454, 3455, 3456 \] - atom: 100 pair\_distance: 8.28185771 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3457, 3458, 3459, 3460 \] - atom: 101 pair\_distance: 10.28800591 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3461, 3462, 3463, 3464 \] - atom: 104 pair\_distance: 9.33895692 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3465, 3466, 3467, 3468 \] displacement\_pair\_info: number\_of\_singles: 12 number\_of\_pairs: 3456 duplicated\_supercell\_ids: # 0 means perfect supercell - \[ 1597, 337 \] - \[ 1921, 338 \] - \[ 1598, 985 \] - \[ 1922, 986 \] - \[ 2533, 499 \] - \[ 2857, 500 \] - \[ 2534, 1147 \] - \[ 2858, 1148 \] - \[ 3183, 1419 \] - \[ 3327, 1420 \] - \[ 3184, 1563 \] - \[ 3328, 1564 \] - \[ 2695, 1840 \] - \[ 3019, 1841 \] - \[ 2696, 2164 \] - \[ 3020, 2165 \] - \[ 3255, 2355 \] - \[ 3399, 2356 \] - \[ 3256, 2499 \] - \[ 3400, 2500 \] - \[ 662, 0 \] - \[ 14, 0 \] - \[ 661, 0 \] - \[ 13, 0 \]