# Fileset [phono3py_mlp_eval_fc3_disp.yaml.xz](https://mdr.nims.go.jp/filesets/fd53c500-1387-41c1-a1e7-b63b953a0464/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 Rb2PtS2 / Immm (71) / materials id 7929](https://mdr.nims.go.jp/datasets/4feaea98-fed1-4aaa-9f2a-5cc9af702936) ## Fulltext phono3py: version: "3.21.0" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "Immm" number: 71 Hall_symbol: "-I 2 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 3, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ -1.820975725000000, 3.604046160000001, 4.924142509999999 ] # a - [ 1.820975725000000, -3.604046160000001, 4.924142509999999 ] # b - [ 1.820975725000000, 3.604046160000001, -4.924142509999999 ] # c points: - symbol: S # 1 coordinates: [ 0.208267467131097, 0.500000000000000, 0.708267467131097 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.791732532868903, 0.500000000000000, 0.291732532868903 ] mass: 32.065000 - symbol: Rb # 3 coordinates: [ 0.308388366059052, 0.808388366059052, 0.500000000000000 ] mass: 85.467800 - symbol: Rb # 4 coordinates: [ 0.691611633940948, 0.191611633940948, 0.500000000000000 ] mass: 85.467800 - symbol: Pt # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 195.084000 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.138732962288141, 0.101540521823768 ] # a* - [ 0.274578069952031, 0.000000000000000, 0.101540521823768 ] # b* - [ 0.274578069952031, 0.138732962288141, 0.000000000000000 ] # c*unit_cell: lattice: - [ 3.641951450000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.208092320000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.848285019999999 ] # c points: - symbol: S # 1 coordinates: [ 0.500000000000000, 0.208267467131097, 0.000000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.500000000000000, 0.791732532868903, 0.000000000000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.000000000000000, 0.708267467131097, 0.500000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.000000000000000, 0.291732532868903, 0.500000000000000 ] mass: 32.065000 reduced_to: 2 - symbol: Rb # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.808388366059052 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.191611633940948 ] mass: 85.467800 reduced_to: 6 - symbol: Rb # 7 coordinates: [ 0.500000000000000, 0.000000000000000, 0.308388366059052 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.691611633940948 ] mass: 85.467800 reduced_to: 6 - symbol: Pt # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 195.084000 reduced_to: 9 - symbol: Pt # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 195.084000 reduced_to: 9supercell: lattice: - [ 10.925854350000003, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.416184640000003, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.696570039999997 ] # c points: - symbol: S # 1 coordinates: [ 0.166666666666667, 0.104133733565549, 0.000000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.500000000000000, 0.104133733565549, 0.000000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.833333333333333, 0.104133733565549, 0.000000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.166666666666667, 0.604133733565549, 0.000000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 5 coordinates: [ 0.500000000000000, 0.604133733565549, 0.000000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 6 coordinates: [ 0.833333333333333, 0.604133733565549, 0.000000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 7 coordinates: [ 0.166666666666667, 0.104133733565549, 0.500000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 8 coordinates: [ 0.500000000000000, 0.104133733565549, 0.500000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 9 coordinates: [ 0.833333333333333, 0.104133733565549, 0.500000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 10 coordinates: [ 0.166666666666667, 0.604133733565549, 0.500000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 11 coordinates: [ 0.500000000000000, 0.604133733565549, 0.500000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 12 coordinates: [ 0.833333333333333, 0.604133733565549, 0.500000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 13 coordinates: [ 0.166666666666667, 0.395866266434451, 0.000000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.500000000000000, 0.395866266434451, 0.000000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 15 coordinates: [ 0.833333333333333, 0.395866266434451, 0.000000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 16 coordinates: [ 0.166666666666667, 0.895866266434451, 0.000000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 17 coordinates: [ 0.500000000000000, 0.895866266434451, 0.000000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 18 coordinates: [ 0.833333333333333, 0.895866266434451, 0.000000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 19 coordinates: [ 0.166666666666667, 0.395866266434451, 0.500000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 20 coordinates: [ 0.500000000000000, 0.395866266434451, 0.500000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 21 coordinates: [ 0.833333333333333, 0.395866266434451, 0.500000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 22 coordinates: [ 0.166666666666667, 0.895866266434451, 0.500000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 23 coordinates: [ 0.500000000000000, 0.895866266434451, 0.500000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 24 coordinates: [ 0.833333333333333, 0.895866266434451, 0.500000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 25 coordinates: [ 0.000000000000000, 0.354133733565549, 0.250000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 26 coordinates: [ 0.333333333333333, 0.354133733565549, 0.250000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 27 coordinates: [ 0.666666666666667, 0.354133733565549, 0.250000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 28 coordinates: [ 0.000000000000000, 0.854133733565549, 0.250000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 29 coordinates: [ 0.333333333333333, 0.854133733565549, 0.250000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 30 coordinates: [ 0.666666666666667, 0.854133733565549, 0.250000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 31 coordinates: [ 0.000000000000000, 0.354133733565549, 0.750000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 32 coordinates: [ 0.333333333333333, 0.354133733565549, 0.750000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 33 coordinates: [ 0.666666666666667, 0.354133733565549, 0.750000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 34 coordinates: [ 0.000000000000000, 0.854133733565549, 0.750000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 35 coordinates: [ 0.333333333333333, 0.854133733565549, 0.750000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 36 coordinates: [ 0.666666666666667, 0.854133733565549, 0.750000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 37 coordinates: [ 0.000000000000000, 0.145866266434451, 0.250000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 38 coordinates: [ 0.333333333333333, 0.145866266434451, 0.250000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 39 coordinates: [ 0.666666666666667, 0.145866266434451, 0.250000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 40 coordinates: [ 0.000000000000000, 0.645866266434451, 0.250000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 41 coordinates: [ 0.333333333333333, 0.645866266434451, 0.250000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 42 coordinates: [ 0.666666666666667, 0.645866266434451, 0.250000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 43 coordinates: [ 0.000000000000000, 0.145866266434451, 0.750000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 44 coordinates: [ 0.333333333333333, 0.145866266434451, 0.750000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 45 coordinates: [ 0.666666666666667, 0.145866266434451, 0.750000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 46 coordinates: [ 0.000000000000000, 0.645866266434451, 0.750000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 47 coordinates: [ 0.333333333333333, 0.645866266434451, 0.750000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 48 coordinates: [ 0.666666666666667, 0.645866266434451, 0.750000000000000 ] mass: 32.065000 reduced_to: 13 - symbol: Rb # 49 coordinates: [ 0.000000000000000, 0.250000000000000, 0.404194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 50 coordinates: [ 0.333333333333333, 0.250000000000000, 0.404194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 51 coordinates: [ 0.666666666666667, 0.250000000000000, 0.404194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 52 coordinates: [ 0.000000000000000, 0.750000000000000, 0.404194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 53 coordinates: [ 0.333333333333333, 0.750000000000000, 0.404194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 54 coordinates: [ 0.666666666666667, 0.750000000000000, 0.404194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 55 coordinates: [ 0.000000000000000, 0.250000000000000, 0.904194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 56 coordinates: [ 0.333333333333333, 0.250000000000000, 0.904194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 57 coordinates: [ 0.666666666666667, 0.250000000000000, 0.904194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 58 coordinates: [ 0.000000000000000, 0.750000000000000, 0.904194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 59 coordinates: [ 0.333333333333333, 0.750000000000000, 0.904194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 60 coordinates: [ 0.666666666666667, 0.750000000000000, 0.904194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 61 coordinates: [ 0.000000000000000, 0.250000000000000, 0.095805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 62 coordinates: [ 0.333333333333333, 0.250000000000000, 0.095805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 63 coordinates: [ 0.666666666666667, 0.250000000000000, 0.095805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 64 coordinates: [ 0.000000000000000, 0.750000000000000, 0.095805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 65 coordinates: [ 0.333333333333333, 0.750000000000000, 0.095805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 66 coordinates: [ 0.666666666666667, 0.750000000000000, 0.095805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 67 coordinates: [ 0.000000000000000, 0.250000000000000, 0.595805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 68 coordinates: [ 0.333333333333333, 0.250000000000000, 0.595805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 69 coordinates: [ 0.666666666666667, 0.250000000000000, 0.595805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 70 coordinates: [ 0.000000000000000, 0.750000000000000, 0.595805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 71 coordinates: [ 0.333333333333333, 0.750000000000000, 0.595805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 72 coordinates: [ 0.666666666666667, 0.750000000000000, 0.595805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 73 coordinates: [ 0.166666666666667, 0.000000000000000, 0.154194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.154194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 75 coordinates: [ 0.833333333333333, 0.000000000000000, 0.154194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 76 coordinates: [ 0.166666666666667, 0.500000000000000, 0.154194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 77 coordinates: [ 0.500000000000000, 0.500000000000000, 0.154194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 78 coordinates: [ 0.833333333333333, 0.500000000000000, 0.154194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 79 coordinates: [ 0.166666666666667, 0.000000000000000, 0.654194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 80 coordinates: [ 0.500000000000000, 0.000000000000000, 0.654194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 81 coordinates: [ 0.833333333333333, 0.000000000000000, 0.654194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 82 coordinates: [ 0.166666666666667, 0.500000000000000, 0.654194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 83 coordinates: [ 0.500000000000000, 0.500000000000000, 0.654194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 84 coordinates: [ 0.833333333333333, 0.500000000000000, 0.654194183029526 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 85 coordinates: [ 0.166666666666667, 0.000000000000000, 0.345805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 86 coordinates: [ 0.500000000000000, 0.000000000000000, 0.345805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 87 coordinates: [ 0.833333333333333, 0.000000000000000, 0.345805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 88 coordinates: [ 0.166666666666667, 0.500000000000000, 0.345805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 89 coordinates: [ 0.500000000000000, 0.500000000000000, 0.345805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 90 coordinates: [ 0.833333333333333, 0.500000000000000, 0.345805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 91 coordinates: [ 0.166666666666667, 0.000000000000000, 0.845805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 92 coordinates: [ 0.500000000000000, 0.000000000000000, 0.845805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 93 coordinates: [ 0.833333333333333, 0.000000000000000, 0.845805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 94 coordinates: [ 0.166666666666667, 0.500000000000000, 0.845805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 95 coordinates: [ 0.500000000000000, 0.500000000000000, 0.845805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Rb # 96 coordinates: [ 0.833333333333333, 0.500000000000000, 0.845805816970474 ] mass: 85.467800 reduced_to: 61 - symbol: Pt # 97 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 98 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 99 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 100 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 101 coordinates: [ 0.333333333333333, 0.500000000000000, 0.000000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 102 coordinates: [ 0.666666666666667, 0.500000000000000, 0.000000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 103 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 104 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 105 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 106 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 107 coordinates: [ 0.333333333333333, 0.500000000000000, 0.500000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 108 coordinates: [ 0.666666666666667, 0.500000000000000, 0.500000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 109 coordinates: [ 0.166666666666667, 0.250000000000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 110 coordinates: [ 0.500000000000000, 0.250000000000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 111 coordinates: [ 0.833333333333333, 0.250000000000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 112 coordinates: [ 0.166666666666667, 0.750000000000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 113 coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 114 coordinates: [ 0.833333333333333, 0.750000000000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 115 coordinates: [ 0.166666666666667, 0.250000000000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 116 coordinates: [ 0.500000000000000, 0.250000000000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 117 coordinates: [ 0.833333333333333, 0.250000000000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 118 coordinates: [ 0.166666666666667, 0.750000000000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 119 coordinates: [ 0.500000000000000, 0.750000000000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 97 - symbol: Pt # 120 coordinates: [ 0.833333333333333, 0.750000000000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 97nac: born_effective_charge: - # 1 (S) - [ -1.493859692000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.187216512000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.802293380000000 ] - # 2 (S) - [ -1.493859692000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.187216512000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.802293380000000 ] - # 3 (Rb) - [ 0.863188428000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.285871678000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.455905050000000 ] - # 4 (Rb) - [ 0.863188428000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.285871678000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.455905050000000 ] - # 5 (Pt) - [ 1.261342528000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.197310332000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.307223340000000 ] dielectric_constant: - [ 6.175866860000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.847546350000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.837189590000000 ] unit_conversion_factor: 14.399652displacement_pairs:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 1 paired_with: - atom: 1 pair_distance: 0.00000000 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 19, 20, 21, 22 ] - atom: 2 pair_distance: 3.64195145 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 23, 24, 25, 26 ] - atom: 3 pair_distance: 3.64195145 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 27, 28, 29, 30 ] - atom: 4 pair_distance: 7.20809232 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 31, 32, 33, 34 ] - atom: 5 pair_distance: 8.07591513 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 35, 36, 37, 38 ] - atom: 6 pair_distance: 8.07591513 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 39, 40, 41, 42 ] - atom: 7 pair_distance: 9.84828502 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 43, 44, 45, 46 ] - atom: 8 pair_distance: 10.50012039 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 47, 48, 49, 50 ] - atom: 9 pair_distance: 10.50012039 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 51, 52, 53, 54 ] - atom: 10 pair_distance: 12.20431533 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 55, 56, 57, 58 ] - atom: 11 pair_distance: 12.73613454 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 59, 60, 61, 62 ] - atom: 12 pair_distance: 12.73613454 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 63, 64, 65, 66 ] - atom: 13 pair_distance: 4.20567006 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 67, 68, 69, 70 ] - atom: 14 pair_distance: 5.56340462 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 71, 72, 73, 74 ] - atom: 15 pair_distance: 5.56340462 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 75, 76, 77, 78 ] - atom: 16 pair_distance: 3.00242226 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 79, 80, 81, 82 ] - atom: 17 pair_distance: 4.71999468 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 83, 84, 85, 86 ] - atom: 18 pair_distance: 4.71999468 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 87, 88, 89, 90 ] - atom: 19 pair_distance: 10.70870573 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 91, 92, 93, 94 ] - atom: 20 pair_distance: 11.31106489 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 95, 96, 97, 98 ] - atom: 21 pair_distance: 11.31106489 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 99, 100, 101, 102 ] - atom: 22 pair_distance: 10.29578833 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 103, 104, 105, 106 ] - atom: 23 pair_distance: 10.92094628 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 107, 108, 109, 110 ] - atom: 24 pair_distance: 10.92094628 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 111, 112, 113, 114 ] - atom: 25 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 115, 116, 117, 118, 119, 120 ] - atom: 26 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 121, 122, 123, 124, 125, 126 ] - atom: 27 pair_distance: 8.19023208 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 127, 128, 129, 130, 131, 132 ] - atom: 28 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 133, 134, 135, 136, 137, 138 ] - atom: 29 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 139, 140, 141, 142, 143, 144 ] - atom: 30 pair_distance: 8.19023208 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 145, 146, 147, 148, 149, 150 ] - atom: 37 pair_distance: 5.28441892 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 151, 152, 153, 154, 155, 156 ] - atom: 38 pair_distance: 5.28441892 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 157, 158, 159, 160, 161, 162 ] - atom: 39 pair_distance: 7.37920755 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 163, 164, 165, 166, 167, 168 ] - atom: 40 pair_distance: 8.43851628 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 169, 170, 171, 172, 173, 174 ] - atom: 41 pair_distance: 8.43851628 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 175, 176, 177, 178, 179, 180 ] - atom: 42 pair_distance: 9.88616092 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 181, 182, 183, 184, 185, 186 ] - atom: 49 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 187, 188, 189, 190, 191, 192 ] - atom: 50 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 193, 194, 195, 196, 197, 198 ] - atom: 51 pair_distance: 9.88164032 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 199, 200, 201, 202, 203, 204 ] - atom: 52 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 205, 206, 207, 208, 209, 210 ] - atom: 53 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 211, 212, 213, 214, 215, 216 ] - atom: 54 pair_distance: 10.92192988 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 217, 218, 219, 220, 221, 222 ] - atom: 55 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 223, 224, 225, 226, 227, 228 ] - atom: 56 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 229, 230, 231, 232, 233, 234 ] - atom: 57 pair_distance: 6.15031959 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 235, 236, 237, 238, 239, 240 ] - atom: 58 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 241, 242, 243, 244, 245, 246 ] - atom: 59 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 247, 248, 249, 250, 251, 252 ] - atom: 60 pair_distance: 7.71156066 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 253, 254, 255, 256, 257, 258 ] - atom: 73 pair_distance: 3.38785923 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 259, 260, 261, 262, 263, 264 ] - atom: 74 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 265, 266, 267, 268, 269, 270 ] - atom: 75 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 271, 272, 273, 274, 275, 276 ] - atom: 76 pair_distance: 6.46470790 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 277, 278, 279, 280, 281, 282 ] - atom: 77 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 283, 284, 285, 286, 287, 288 ] - atom: 78 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 289, 290, 291, 292, 293, 294 ] - atom: 79 pair_distance: 6.97466297 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 295, 296, 297, 298, 299, 300 ] - atom: 80 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 301, 302, 303, 304, 305, 306 ] - atom: 81 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 307, 308, 309, 310, 311, 312 ] - atom: 82 pair_distance: 8.88598794 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 313, 314, 315, 316, 317, 318 ] - atom: 83 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 319, 320, 321, 322, 323, 324 ] - atom: 84 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 325, 326, 327, 328, 329, 330 ] - atom: 97 pair_distance: 2.35999734 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 331, 332, 333, 334 ] - atom: 98 pair_distance: 2.35999734 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 335, 336, 337, 338 ] - atom: 99 pair_distance: 5.66543980 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 339, 340, 341, 342 ] - atom: 100 pair_distance: 5.99036272 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 343, 344, 345, 346 ] - atom: 101 pair_distance: 5.99036272 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 347, 348, 349, 350 ] - atom: 102 pair_distance: 7.90013077 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 351, 352, 353, 354 ] - atom: 103 pair_distance: 10.12710745 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 355, 356, 357, 358 ] - atom: 104 pair_distance: 10.12710745 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 359, 360, 361, 362 ] - atom: 105 pair_distance: 11.36159874 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 363, 364, 365, 366 ] - atom: 106 pair_distance: 11.52706222 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 367, 368, 369, 370 ] - atom: 107 pair_distance: 11.52706222 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 371, 372, 373, 374 ] - atom: 108 pair_distance: 12.62540233 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 375, 376, 377, 378 ] - atom: 109 pair_distance: 5.35435287 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 379, 380, 381, 382, 383, 384 ] - atom: 110 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 385, 386, 387, 388, 389, 390 ] - atom: 111 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 391, 392, 393, 394, 395, 396 ] - atom: 112 pair_distance: 7.09301286 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 397, 398, 399, 400, 401, 402 ] - atom: 113 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 403, 404, 405, 406, 407, 408 ] - atom: 114 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 409, 410, 411, 412, 413, 414 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 2 paired_with: - atom: 1 pair_distance: 0.00000000 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 415, 416, 417, 418 ] - atom: 2 pair_distance: 3.64195145 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 419, 420, 421, 422 ] - atom: 3 pair_distance: 3.64195145 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 423, 424, 425, 426 ] - atom: 4 pair_distance: 7.20809232 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 427, 428, 429, 430 ] - atom: 5 pair_distance: 8.07591513 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 431, 432, 433, 434 ] - atom: 6 pair_distance: 8.07591513 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 435, 436, 437, 438 ] - atom: 7 pair_distance: 9.84828502 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 439, 440, 441, 442 ] - atom: 8 pair_distance: 10.50012039 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 443, 444, 445, 446 ] - atom: 9 pair_distance: 10.50012039 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 447, 448, 449, 450 ] - atom: 10 pair_distance: 12.20431533 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 451, 452, 453, 454 ] - atom: 11 pair_distance: 12.73613454 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 455, 456, 457, 458 ] - atom: 12 pair_distance: 12.73613454 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 459, 460, 461, 462 ] - atom: 13 pair_distance: 4.20567006 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 463, 464, 465, 466 ] - atom: 14 pair_distance: 5.56340462 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 467, 468, 469, 470 ] - atom: 15 pair_distance: 5.56340462 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 471, 472, 473, 474 ] - atom: 16 pair_distance: 3.00242226 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 475, 476, 477, 478 ] - atom: 17 pair_distance: 4.71999468 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 479, 480, 481, 482 ] - atom: 18 pair_distance: 4.71999468 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 483, 484, 485, 486 ] - atom: 19 pair_distance: 10.70870573 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 487, 488, 489, 490 ] - atom: 20 pair_distance: 11.31106489 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 491, 492, 493, 494 ] - atom: 21 pair_distance: 11.31106489 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 495, 496, 497, 498 ] - atom: 22 pair_distance: 10.29578833 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 499, 500, 501, 502 ] - atom: 23 pair_distance: 10.92094628 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 503, 504, 505, 506 ] - atom: 24 pair_distance: 10.92094628 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 507, 508, 509, 510 ] - atom: 25 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 511, 512, 513, 514, 515, 516 ] - atom: 26 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 517, 518, 519, 520, 521, 522 ] - atom: 27 pair_distance: 8.19023208 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 523, 524, 525, 526, 527, 528 ] - atom: 28 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 529, 530, 531, 532, 533, 534 ] - atom: 29 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 535, 536, 537, 538, 539, 540 ] - atom: 30 pair_distance: 8.19023208 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 541, 542, 543, 544, 545, 546 ] - atom: 37 pair_distance: 5.28441892 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 547, 548, 549, 550, 551, 552 ] - atom: 38 pair_distance: 5.28441892 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 553, 554, 555, 556, 557, 558 ] - atom: 39 pair_distance: 7.37920755 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 559, 560, 561, 562, 563, 564 ] - atom: 40 pair_distance: 8.43851628 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 565, 566, 567, 568, 569, 570 ] - atom: 41 pair_distance: 8.43851628 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 571, 572, 573, 574, 575, 576 ] - atom: 42 pair_distance: 9.88616092 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 577, 578, 579, 580, 581, 582 ] - atom: 49 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 583, 584, 585, 586, 587, 588 ] - atom: 50 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 589, 590, 591, 592, 593, 594 ] - atom: 51 pair_distance: 9.88164032 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 595, 596, 597, 598, 599, 600 ] - atom: 52 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 601, 602, 603, 604, 605, 606 ] - atom: 53 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 607, 608, 609, 610, 611, 612 ] - atom: 54 pair_distance: 10.92192988 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 613, 614, 615, 616, 617, 618 ] - atom: 55 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 619, 620, 621, 622, 623, 624 ] - atom: 56 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 625, 626, 627, 628, 629, 630 ] - atom: 57 pair_distance: 6.15031959 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 631, 632, 633, 634, 635, 636 ] - atom: 58 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 637, 638, 639, 640, 641, 642 ] - atom: 59 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 643, 644, 645, 646, 647, 648 ] - atom: 60 pair_distance: 7.71156066 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 649, 650, 651, 652, 653, 654 ] - atom: 73 pair_distance: 3.38785923 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 655, 656, 657, 658, 659, 660 ] - atom: 74 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 661, 662, 663, 664, 665, 666 ] - atom: 75 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 667, 668, 669, 670, 671, 672 ] - atom: 76 pair_distance: 6.46470790 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 673, 674, 675, 676, 677, 678 ] - atom: 77 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 679, 680, 681, 682, 683, 684 ] - atom: 78 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 685, 686, 687, 688, 689, 690 ] - atom: 79 pair_distance: 6.97466297 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 691, 692, 693, 694, 695, 696 ] - atom: 80 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 697, 698, 699, 700, 701, 702 ] - atom: 81 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 703, 704, 705, 706, 707, 708 ] - atom: 82 pair_distance: 8.88598794 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 709, 710, 711, 712, 713, 714 ] - atom: 83 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 715, 716, 717, 718, 719, 720 ] - atom: 84 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 721, 722, 723, 724, 725, 726 ] - atom: 97 pair_distance: 2.35999734 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 727, 728, 729, 730 ] - atom: 98 pair_distance: 2.35999734 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 731, 732, 733, 734 ] - atom: 99 pair_distance: 5.66543980 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 735, 736, 737, 738 ] - atom: 100 pair_distance: 5.99036272 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 739, 740, 741, 742 ] - atom: 101 pair_distance: 5.99036272 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 743, 744, 745, 746 ] - atom: 102 pair_distance: 7.90013077 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 747, 748, 749, 750 ] - atom: 103 pair_distance: 10.12710745 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 751, 752, 753, 754 ] - atom: 104 pair_distance: 10.12710745 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 755, 756, 757, 758 ] - atom: 105 pair_distance: 11.36159874 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 759, 760, 761, 762 ] - atom: 106 pair_distance: 11.52706222 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 763, 764, 765, 766 ] - atom: 107 pair_distance: 11.52706222 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 767, 768, 769, 770 ] - atom: 108 pair_distance: 12.62540233 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 771, 772, 773, 774 ] - atom: 109 pair_distance: 5.35435287 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 775, 776, 777, 778, 779, 780 ] - atom: 110 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 781, 782, 783, 784, 785, 786 ] - atom: 111 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 787, 788, 789, 790, 791, 792 ] - atom: 112 pair_distance: 7.09301286 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 793, 794, 795, 796, 797, 798 ] - atom: 113 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 799, 800, 801, 802, 803, 804 ] - atom: 114 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 805, 806, 807, 808, 809, 810 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] displacement_id: 3 paired_with: - atom: 1 pair_distance: 0.00000000 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 811, 812 ] - atom: 2 pair_distance: 3.64195145 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 813, 814, 815, 816 ] - atom: 4 pair_distance: 7.20809232 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 817, 818 ] - atom: 5 pair_distance: 8.07591513 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 819, 820, 821, 822 ] - atom: 7 pair_distance: 9.84828502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 823, 824 ] - atom: 8 pair_distance: 10.50012039 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 825, 826, 827, 828 ] - atom: 10 pair_distance: 12.20431533 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 829, 830 ] - atom: 11 pair_distance: 12.73613454 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 831, 832, 833, 834 ] - atom: 13 pair_distance: 4.20567006 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 835, 836 ] - atom: 14 pair_distance: 5.56340462 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 837, 838, 839, 840 ] - atom: 16 pair_distance: 3.00242226 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 841, 842 ] - atom: 17 pair_distance: 4.71999468 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 843, 844, 845, 846 ] - atom: 19 pair_distance: 10.70870573 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 847, 848 ] - atom: 20 pair_distance: 11.31106489 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 849, 850, 851, 852 ] - atom: 22 pair_distance: 10.29578833 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 853, 854 ] - atom: 23 pair_distance: 10.92094628 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 855, 856, 857, 858 ] - atom: 25 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 859, 860, 861, 862, 863, 864 ] - atom: 27 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 865, 866, 867, 868 ] - atom: 28 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 869, 870, 871, 872, 873, 874 ] - atom: 30 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 875, 876, 877, 878 ] - atom: 37 pair_distance: 5.28441892 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 879, 880, 881, 882, 883, 884 ] - atom: 39 pair_distance: 7.37920755 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 885, 886, 887, 888 ] - atom: 40 pair_distance: 8.43851628 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 889, 890, 891, 892, 893, 894 ] - atom: 42 pair_distance: 9.88616092 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 895, 896, 897, 898 ] - atom: 49 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 899, 900, 901, 902, 903, 904 ] - atom: 51 pair_distance: 9.88164032 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 905, 906, 907, 908 ] - atom: 52 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 909, 910, 911, 912, 913, 914 ] - atom: 54 pair_distance: 10.92192988 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 915, 916, 917, 918 ] - atom: 55 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 919, 920, 921, 922, 923, 924 ] - atom: 57 pair_distance: 6.15031959 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 925, 926, 927, 928 ] - atom: 58 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 929, 930, 931, 932, 933, 934 ] - atom: 60 pair_distance: 7.71156066 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 935, 936, 937, 938 ] - atom: 73 pair_distance: 3.38785923 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 939, 940, 941, 942 ] - atom: 74 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 943, 944, 945, 946, 947, 948 ] - atom: 76 pair_distance: 6.46470790 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 949, 950, 951, 952 ] - atom: 77 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 953, 954, 955, 956, 957, 958 ] - atom: 79 pair_distance: 6.97466297 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 959, 960, 961, 962 ] - atom: 80 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 963, 964, 965, 966, 967, 968 ] - atom: 82 pair_distance: 8.88598794 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 969, 970, 971, 972 ] - atom: 83 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 973, 974, 975, 976, 977, 978 ] - atom: 97 pair_distance: 2.35999734 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 979, 980, 981, 982 ] - atom: 99 pair_distance: 5.66543980 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 983, 984 ] - atom: 100 pair_distance: 5.99036272 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 985, 986, 987, 988 ] - atom: 102 pair_distance: 7.90013077 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 989, 990 ] - atom: 103 pair_distance: 10.12710745 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 991, 992, 993, 994 ] - atom: 105 pair_distance: 11.36159874 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 995, 996 ] - atom: 106 pair_distance: 11.52706222 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 997, 998, 999, 1000 ] - atom: 108 pair_distance: 12.62540233 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 1001, 1002 ] - atom: 109 pair_distance: 5.35435287 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1003, 1004, 1005, 1006 ] - atom: 110 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1007, 1008, 1009, 1010, 1011, 1012 ] - atom: 112 pair_distance: 7.09301286 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1013, 1014, 1015, 1016 ] - atom: 113 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1017, 1018, 1019, 1020, 1021, 1022 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_id: 4 paired_with: - atom: 1 pair_distance: 0.00000000 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 1023, 1024 ] - atom: 2 pair_distance: 3.64195145 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1025, 1026, 1027, 1028 ] - atom: 4 pair_distance: 7.20809232 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 1029, 1030 ] - atom: 5 pair_distance: 8.07591513 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1031, 1032, 1033, 1034 ] - atom: 7 pair_distance: 9.84828502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 1035, 1036 ] - atom: 8 pair_distance: 10.50012039 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1037, 1038, 1039, 1040 ] - atom: 10 pair_distance: 12.20431533 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 1041, 1042 ] - atom: 11 pair_distance: 12.73613454 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1043, 1044, 1045, 1046 ] - atom: 13 pair_distance: 4.20567006 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 1047, 1048 ] - atom: 14 pair_distance: 5.56340462 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1049, 1050, 1051, 1052 ] - atom: 16 pair_distance: 3.00242226 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 1053, 1054 ] - atom: 17 pair_distance: 4.71999468 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1055, 1056, 1057, 1058 ] - atom: 19 pair_distance: 10.70870573 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 1059, 1060 ] - atom: 20 pair_distance: 11.31106489 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1061, 1062, 1063, 1064 ] - atom: 22 pair_distance: 10.29578833 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 1065, 1066 ] - atom: 23 pair_distance: 10.92094628 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1067, 1068, 1069, 1070 ] - atom: 25 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1071, 1072, 1073, 1074, 1075, 1076 ] - atom: 27 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1077, 1078, 1079, 1080 ] - atom: 28 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1081, 1082, 1083, 1084, 1085, 1086 ] - atom: 30 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1087, 1088, 1089, 1090 ] - atom: 37 pair_distance: 5.28441892 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1091, 1092, 1093, 1094, 1095, 1096 ] - atom: 39 pair_distance: 7.37920755 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1097, 1098, 1099, 1100 ] - atom: 40 pair_distance: 8.43851628 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1101, 1102, 1103, 1104, 1105, 1106 ] - atom: 42 pair_distance: 9.88616092 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1107, 1108, 1109, 1110 ] - atom: 49 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1111, 1112, 1113, 1114, 1115, 1116 ] - atom: 51 pair_distance: 9.88164032 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1117, 1118, 1119, 1120 ] - atom: 52 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1121, 1122, 1123, 1124, 1125, 1126 ] - atom: 54 pair_distance: 10.92192988 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1127, 1128, 1129, 1130 ] - atom: 55 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1131, 1132, 1133, 1134, 1135, 1136 ] - atom: 57 pair_distance: 6.15031959 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1137, 1138, 1139, 1140 ] - atom: 58 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1141, 1142, 1143, 1144, 1145, 1146 ] - atom: 60 pair_distance: 7.71156066 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1147, 1148, 1149, 1150 ] - atom: 73 pair_distance: 3.38785923 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1151, 1152, 1153, 1154 ] - atom: 74 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1155, 1156, 1157, 1158, 1159, 1160 ] - atom: 76 pair_distance: 6.46470790 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1161, 1162, 1163, 1164 ] - atom: 77 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1165, 1166, 1167, 1168, 1169, 1170 ] - atom: 79 pair_distance: 6.97466297 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1171, 1172, 1173, 1174 ] - atom: 80 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1175, 1176, 1177, 1178, 1179, 1180 ] - atom: 82 pair_distance: 8.88598794 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1181, 1182, 1183, 1184 ] - atom: 83 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1185, 1186, 1187, 1188, 1189, 1190 ] - atom: 97 pair_distance: 2.35999734 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1191, 1192, 1193, 1194 ] - atom: 99 pair_distance: 5.66543980 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 1195, 1196 ] - atom: 100 pair_distance: 5.99036272 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1197, 1198, 1199, 1200 ] - atom: 102 pair_distance: 7.90013077 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 1201, 1202 ] - atom: 103 pair_distance: 10.12710745 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1203, 1204, 1205, 1206 ] - atom: 105 pair_distance: 11.36159874 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 1207, 1208 ] - atom: 106 pair_distance: 11.52706222 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1209, 1210, 1211, 1212 ] - atom: 108 pair_distance: 12.62540233 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 1213, 1214 ] - atom: 109 pair_distance: 5.35435287 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1215, 1216, 1217, 1218 ] - atom: 110 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1219, 1220, 1221, 1222, 1223, 1224 ] - atom: 112 pair_distance: 7.09301286 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1225, 1226, 1227, 1228 ] - atom: 113 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1229, 1230, 1231, 1232, 1233, 1234 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_id: 5 paired_with: - atom: 1 pair_distance: 0.00000000 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1235, 1236, 1237, 1238 ] - atom: 2 pair_distance: 3.64195145 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1239, 1240, 1241, 1242, 1243, 1244 ] - atom: 4 pair_distance: 7.20809232 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1245, 1246, 1247, 1248 ] - atom: 5 pair_distance: 8.07591513 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1249, 1250, 1251, 1252, 1253, 1254 ] - atom: 7 pair_distance: 9.84828502 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1255, 1256, 1257, 1258 ] - atom: 8 pair_distance: 10.50012039 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1259, 1260, 1261, 1262, 1263, 1264 ] - atom: 10 pair_distance: 12.20431533 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1265, 1266, 1267, 1268 ] - atom: 11 pair_distance: 12.73613454 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1269, 1270, 1271, 1272, 1273, 1274 ] - atom: 13 pair_distance: 4.20567006 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1275, 1276, 1277, 1278 ] - atom: 14 pair_distance: 5.56340462 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1279, 1280, 1281, 1282, 1283, 1284 ] - atom: 16 pair_distance: 3.00242226 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1285, 1286, 1287, 1288 ] - atom: 17 pair_distance: 4.71999468 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1289, 1290, 1291, 1292, 1293, 1294 ] - atom: 19 pair_distance: 10.70870573 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1295, 1296, 1297, 1298 ] - atom: 20 pair_distance: 11.31106489 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1299, 1300, 1301, 1302, 1303, 1304 ] - atom: 22 pair_distance: 10.29578833 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1305, 1306, 1307, 1308 ] - atom: 23 pair_distance: 10.92094628 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1309, 1310, 1311, 1312, 1313, 1314 ] - atom: 25 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1315, 1316, 1317, 1318, 1319, 1320 ] - atom: 27 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1321, 1322, 1323, 1324 ] - atom: 28 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1325, 1326, 1327, 1328, 1329, 1330 ] - atom: 30 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1331, 1332, 1333, 1334 ] - atom: 31 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1335, 1336, 1337, 1338, 1339, 1340 ] - atom: 33 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1341, 1342, 1343, 1344 ] - atom: 34 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1345, 1346, 1347, 1348, 1349, 1350 ] - atom: 36 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1351, 1352, 1353, 1354 ] - atom: 37 pair_distance: 5.28441892 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1355, 1356, 1357, 1358, 1359, 1360 ] - atom: 39 pair_distance: 7.37920755 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1361, 1362, 1363, 1364 ] - atom: 40 pair_distance: 8.43851628 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1365, 1366, 1367, 1368, 1369, 1370 ] - atom: 42 pair_distance: 9.88616092 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1371, 1372, 1373, 1374 ] - atom: 43 pair_distance: 5.28441892 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1375, 1376, 1377, 1378, 1379, 1380 ] - atom: 45 pair_distance: 7.37920755 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1381, 1382, 1383, 1384 ] - atom: 46 pair_distance: 8.43851628 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1385, 1386, 1387, 1388, 1389, 1390 ] - atom: 48 pair_distance: 9.88616092 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1391, 1392, 1393, 1394 ] - atom: 49 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1395, 1396, 1397, 1398, 1399, 1400 ] - atom: 51 pair_distance: 9.88164032 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1401, 1402, 1403, 1404 ] - atom: 52 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1405, 1406, 1407, 1408, 1409, 1410 ] - atom: 54 pair_distance: 10.92192988 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1411, 1412, 1413, 1414 ] - atom: 55 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1415, 1416, 1417, 1418, 1419, 1420 ] - atom: 57 pair_distance: 6.15031959 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1421, 1422, 1423, 1424 ] - atom: 58 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1425, 1426, 1427, 1428, 1429, 1430 ] - atom: 60 pair_distance: 7.71156066 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1431, 1432, 1433, 1434 ] - atom: 61 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1435, 1436, 1437, 1438, 1439, 1440 ] - atom: 63 pair_distance: 6.15031959 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1441, 1442, 1443, 1444 ] - atom: 64 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1445, 1446, 1447, 1448, 1449, 1450 ] - atom: 66 pair_distance: 7.71156066 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1451, 1452, 1453, 1454 ] - atom: 67 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1455, 1456, 1457, 1458, 1459, 1460 ] - atom: 69 pair_distance: 9.88164032 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1461, 1462, 1463, 1464 ] - atom: 70 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1465, 1466, 1467, 1468, 1469, 1470 ] - atom: 72 pair_distance: 10.92192988 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1471, 1472, 1473, 1474 ] - atom: 73 pair_distance: 3.38785923 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1475, 1476, 1477, 1478 ] - atom: 74 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1479, 1480, 1481, 1482, 1483, 1484 ] - atom: 76 pair_distance: 6.46470790 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1485, 1486, 1487, 1488 ] - atom: 77 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1489, 1490, 1491, 1492, 1493, 1494 ] - atom: 79 pair_distance: 6.97466297 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1495, 1496, 1497, 1498 ] - atom: 80 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1499, 1500, 1501, 1502, 1503, 1504 ] - atom: 82 pair_distance: 8.88598794 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1505, 1506, 1507, 1508 ] - atom: 83 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1509, 1510, 1511, 1512, 1513, 1514 ] - atom: 85 pair_distance: 6.97466297 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1515, 1516, 1517, 1518 ] - atom: 86 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1519, 1520, 1521, 1522, 1523, 1524 ] - atom: 88 pair_distance: 8.88598794 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1525, 1526, 1527, 1528 ] - atom: 89 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1529, 1530, 1531, 1532, 1533, 1534 ] - atom: 91 pair_distance: 3.38785923 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1535, 1536, 1537, 1538 ] - atom: 92 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1539, 1540, 1541, 1542, 1543, 1544 ] - atom: 94 pair_distance: 6.46470790 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1545, 1546, 1547, 1548 ] - atom: 95 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1549, 1550, 1551, 1552, 1553, 1554 ] - atom: 97 pair_distance: 2.35999734 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1555, 1556, 1557, 1558, 1559, 1560 ] - atom: 99 pair_distance: 5.66543980 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1561, 1562, 1563, 1564 ] - atom: 100 pair_distance: 5.99036272 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1565, 1566, 1567, 1568, 1569, 1570 ] - atom: 102 pair_distance: 7.90013077 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1571, 1572, 1573, 1574 ] - atom: 103 pair_distance: 10.12710745 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1575, 1576, 1577, 1578, 1579, 1580 ] - atom: 105 pair_distance: 11.36159874 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1581, 1582, 1583, 1584 ] - atom: 106 pair_distance: 11.52706222 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1585, 1586, 1587, 1588, 1589, 1590 ] - atom: 108 pair_distance: 12.62540233 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1591, 1592, 1593, 1594 ] - atom: 109 pair_distance: 5.35435287 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1595, 1596, 1597, 1598 ] - atom: 110 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1599, 1600, 1601, 1602, 1603, 1604 ] - atom: 112 pair_distance: 7.09301286 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1605, 1606, 1607, 1608 ] - atom: 113 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1609, 1610, 1611, 1612, 1613, 1614 ] - atom: 115 pair_distance: 5.35435287 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1615, 1616, 1617, 1618 ] - atom: 116 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1619, 1620, 1621, 1622, 1623, 1624 ] - atom: 118 pair_distance: 7.09301286 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1625, 1626, 1627, 1628 ] - atom: 119 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1629, 1630, 1631, 1632, 1633, 1634 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_id: 6 paired_with: - atom: 1 pair_distance: 0.00000000 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1635, 1636, 1637, 1638 ] - atom: 2 pair_distance: 3.64195145 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1639, 1640, 1641, 1642, 1643, 1644 ] - atom: 4 pair_distance: 7.20809232 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1645, 1646, 1647, 1648 ] - atom: 5 pair_distance: 8.07591513 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1649, 1650, 1651, 1652, 1653, 1654 ] - atom: 7 pair_distance: 9.84828502 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1655, 1656, 1657, 1658 ] - atom: 8 pair_distance: 10.50012039 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1659, 1660, 1661, 1662, 1663, 1664 ] - atom: 10 pair_distance: 12.20431533 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1665, 1666, 1667, 1668 ] - atom: 11 pair_distance: 12.73613454 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1669, 1670, 1671, 1672, 1673, 1674 ] - atom: 13 pair_distance: 4.20567006 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1675, 1676, 1677, 1678 ] - atom: 14 pair_distance: 5.56340462 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1679, 1680, 1681, 1682, 1683, 1684 ] - atom: 16 pair_distance: 3.00242226 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1685, 1686, 1687, 1688 ] - atom: 17 pair_distance: 4.71999468 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1689, 1690, 1691, 1692, 1693, 1694 ] - atom: 19 pair_distance: 10.70870573 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1695, 1696, 1697, 1698 ] - atom: 20 pair_distance: 11.31106489 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1699, 1700, 1701, 1702, 1703, 1704 ] - atom: 22 pair_distance: 10.29578833 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1705, 1706, 1707, 1708 ] - atom: 23 pair_distance: 10.92094628 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1709, 1710, 1711, 1712, 1713, 1714 ] - atom: 25 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1715, 1716, 1717, 1718, 1719, 1720 ] - atom: 27 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1721, 1722, 1723, 1724 ] - atom: 28 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1725, 1726, 1727, 1728, 1729, 1730 ] - atom: 30 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1731, 1732, 1733, 1734 ] - atom: 31 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1735, 1736, 1737, 1738, 1739, 1740 ] - atom: 33 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1741, 1742, 1743, 1744 ] - atom: 34 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1745, 1746, 1747, 1748, 1749, 1750 ] - atom: 36 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1751, 1752, 1753, 1754 ] - atom: 37 pair_distance: 5.28441892 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1755, 1756, 1757, 1758, 1759, 1760 ] - atom: 39 pair_distance: 7.37920755 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1761, 1762, 1763, 1764 ] - atom: 40 pair_distance: 8.43851628 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1765, 1766, 1767, 1768, 1769, 1770 ] - atom: 42 pair_distance: 9.88616092 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1771, 1772, 1773, 1774 ] - atom: 43 pair_distance: 5.28441892 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1775, 1776, 1777, 1778, 1779, 1780 ] - atom: 45 pair_distance: 7.37920755 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1781, 1782, 1783, 1784 ] - atom: 46 pair_distance: 8.43851628 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1785, 1786, 1787, 1788, 1789, 1790 ] - atom: 48 pair_distance: 9.88616092 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1791, 1792, 1793, 1794 ] - atom: 49 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1795, 1796, 1797, 1798, 1799, 1800 ] - atom: 51 pair_distance: 9.88164032 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1801, 1802, 1803, 1804 ] - atom: 52 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1805, 1806, 1807, 1808, 1809, 1810 ] - atom: 54 pair_distance: 10.92192988 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1811, 1812, 1813, 1814 ] - atom: 55 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1815, 1816, 1817, 1818, 1819, 1820 ] - atom: 57 pair_distance: 6.15031959 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1821, 1822, 1823, 1824 ] - atom: 58 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1825, 1826, 1827, 1828, 1829, 1830 ] - atom: 60 pair_distance: 7.71156066 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1831, 1832, 1833, 1834 ] - atom: 61 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1835, 1836, 1837, 1838, 1839, 1840 ] - atom: 63 pair_distance: 6.15031959 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1841, 1842, 1843, 1844 ] - atom: 64 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1845, 1846, 1847, 1848, 1849, 1850 ] - atom: 66 pair_distance: 7.71156066 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1851, 1852, 1853, 1854 ] - atom: 67 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1855, 1856, 1857, 1858, 1859, 1860 ] - atom: 69 pair_distance: 9.88164032 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1861, 1862, 1863, 1864 ] - atom: 70 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1865, 1866, 1867, 1868, 1869, 1870 ] - atom: 72 pair_distance: 10.92192988 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1871, 1872, 1873, 1874 ] - atom: 73 pair_distance: 3.38785923 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1875, 1876, 1877, 1878 ] - atom: 74 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1879, 1880, 1881, 1882, 1883, 1884 ] - atom: 76 pair_distance: 6.46470790 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1885, 1886, 1887, 1888 ] - atom: 77 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1889, 1890, 1891, 1892, 1893, 1894 ] - atom: 79 pair_distance: 6.97466297 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1895, 1896, 1897, 1898 ] - atom: 80 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1899, 1900, 1901, 1902, 1903, 1904 ] - atom: 82 pair_distance: 8.88598794 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1905, 1906, 1907, 1908 ] - atom: 83 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1909, 1910, 1911, 1912, 1913, 1914 ] - atom: 85 pair_distance: 6.97466297 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1915, 1916, 1917, 1918 ] - atom: 86 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1919, 1920, 1921, 1922, 1923, 1924 ] - atom: 88 pair_distance: 8.88598794 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1925, 1926, 1927, 1928 ] - atom: 89 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1929, 1930, 1931, 1932, 1933, 1934 ] - atom: 91 pair_distance: 3.38785923 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1935, 1936, 1937, 1938 ] - atom: 92 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1939, 1940, 1941, 1942, 1943, 1944 ] - atom: 94 pair_distance: 6.46470790 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1945, 1946, 1947, 1948 ] - atom: 95 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1949, 1950, 1951, 1952, 1953, 1954 ] - atom: 97 pair_distance: 2.35999734 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1955, 1956, 1957, 1958, 1959, 1960 ] - atom: 99 pair_distance: 5.66543980 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1961, 1962, 1963, 1964 ] - atom: 100 pair_distance: 5.99036272 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1965, 1966, 1967, 1968, 1969, 1970 ] - atom: 102 pair_distance: 7.90013077 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1971, 1972, 1973, 1974 ] - atom: 103 pair_distance: 10.12710745 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1975, 1976, 1977, 1978, 1979, 1980 ] - atom: 105 pair_distance: 11.36159874 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1981, 1982, 1983, 1984 ] - atom: 106 pair_distance: 11.52706222 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1985, 1986, 1987, 1988, 1989, 1990 ] - atom: 108 pair_distance: 12.62540233 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1991, 1992, 1993, 1994 ] - atom: 109 pair_distance: 5.35435287 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1995, 1996, 1997, 1998 ] - atom: 110 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1999, 2000, 2001, 2002, 2003, 2004 ] - atom: 112 pair_distance: 7.09301286 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2005, 2006, 2007, 2008 ] - atom: 113 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2009, 2010, 2011, 2012, 2013, 2014 ] - atom: 115 pair_distance: 5.35435287 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2015, 2016, 2017, 2018 ] - atom: 116 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2019, 2020, 2021, 2022, 2023, 2024 ] - atom: 118 pair_distance: 7.09301286 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2025, 2026, 2027, 2028 ] - atom: 119 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2029, 2030, 2031, 2032, 2033, 2034 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 7 paired_with: - atom: 1 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2035, 2036, 2037, 2038, 2039, 2040 ] - atom: 2 pair_distance: 9.88164032 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2041, 2042, 2043, 2044, 2045, 2046 ] - atom: 3 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2047, 2048, 2049, 2050, 2051, 2052 ] - atom: 4 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2053, 2054, 2055, 2056, 2057, 2058 ] - atom: 5 pair_distance: 10.92192988 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2059, 2060, 2061, 2062, 2063, 2064 ] - atom: 6 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2065, 2066, 2067, 2068, 2069, 2070 ] - atom: 7 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2071, 2072, 2073, 2074, 2075, 2076 ] - atom: 8 pair_distance: 6.15031959 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2077, 2078, 2079, 2080, 2081, 2082 ] - atom: 9 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2083, 2084, 2085, 2086, 2087, 2088 ] - atom: 10 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2089, 2090, 2091, 2092, 2093, 2094 ] - atom: 11 pair_distance: 7.71156066 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2095, 2096, 2097, 2098, 2099, 2100 ] - atom: 12 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2101, 2102, 2103, 2104, 2105, 2106 ] - atom: 25 pair_distance: 3.38785923 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2107, 2108, 2109, 2110, 2111, 2112 ] - atom: 26 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2113, 2114, 2115, 2116, 2117, 2118 ] - atom: 27 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2119, 2120, 2121, 2122, 2123, 2124 ] - atom: 28 pair_distance: 6.46470790 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2125, 2126, 2127, 2128, 2129, 2130 ] - atom: 29 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2131, 2132, 2133, 2134, 2135, 2136 ] - atom: 30 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2137, 2138, 2139, 2140, 2141, 2142 ] - atom: 31 pair_distance: 6.97466297 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2143, 2144, 2145, 2146, 2147, 2148 ] - atom: 32 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2149, 2150, 2151, 2152, 2153, 2154 ] - atom: 33 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2155, 2156, 2157, 2158, 2159, 2160 ] - atom: 34 pair_distance: 8.88598794 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2161, 2162, 2163, 2164, 2165, 2166 ] - atom: 35 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2167, 2168, 2169, 2170, 2171, 2172 ] - atom: 36 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2173, 2174, 2175, 2176, 2177, 2178 ] - atom: 49 pair_distance: 0.00000000 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2179, 2180, 2181, 2182 ] - atom: 50 pair_distance: 3.64195145 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2183, 2184, 2185, 2186 ] - atom: 51 pair_distance: 3.64195145 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2187, 2188, 2189, 2190 ] - atom: 52 pair_distance: 7.20809232 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2191, 2192, 2193, 2194 ] - atom: 53 pair_distance: 8.07591513 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2195, 2196, 2197, 2198 ] - atom: 54 pair_distance: 8.07591513 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2199, 2200, 2201, 2202 ] - atom: 55 pair_distance: 9.84828502 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2203, 2204, 2205, 2206 ] - atom: 56 pair_distance: 10.50012039 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2207, 2208, 2209, 2210 ] - atom: 57 pair_distance: 10.50012039 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2211, 2212, 2213, 2214 ] - atom: 58 pair_distance: 12.20431533 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2215, 2216, 2217, 2218 ] - atom: 59 pair_distance: 12.73613454 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2219, 2220, 2221, 2222 ] - atom: 60 pair_distance: 12.73613454 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2223, 2224, 2225, 2226 ] - atom: 61 pair_distance: 6.07419305 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2227, 2228, 2229, 2230 ] - atom: 62 pair_distance: 7.08234648 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2231, 2232, 2233, 2234 ] - atom: 63 pair_distance: 7.08234648 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2235, 2236, 2237, 2238 ] - atom: 64 pair_distance: 9.42615596 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2239, 2240, 2241, 2242 ] - atom: 65 pair_distance: 10.10525737 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2243, 2244, 2245, 2246 ] - atom: 66 pair_distance: 10.10525737 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2247, 2248, 2249, 2250 ] - atom: 67 pair_distance: 3.77409197 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2251, 2252, 2253, 2254 ] - atom: 68 pair_distance: 5.24476697 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2255, 2256, 2257, 2258 ] - atom: 69 pair_distance: 5.24476697 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2259, 2260, 2261, 2262 ] - atom: 70 pair_distance: 8.13636068 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2263, 2264, 2265, 2266 ] - atom: 71 pair_distance: 8.91426808 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2267, 2268, 2269, 2270 ] - atom: 72 pair_distance: 8.91426808 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2271, 2272, 2273, 2274 ] - atom: 73 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2275, 2276, 2277, 2278, 2279, 2280 ] - atom: 74 pair_distance: 8.19023208 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2281, 2282, 2283, 2284, 2285, 2286 ] - atom: 75 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2287, 2288, 2289, 2290, 2291, 2292 ] - atom: 79 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2293, 2294, 2295, 2296, 2297, 2298 ] - atom: 80 pair_distance: 8.19023208 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2299, 2300, 2301, 2302, 2303, 2304 ] - atom: 81 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2305, 2306, 2307, 2308, 2309, 2310 ] - atom: 85 pair_distance: 4.19853755 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2311, 2312, 2313, 2314, 2315, 2316 ] - atom: 86 pair_distance: 6.64494833 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2317, 2318, 2319, 2320, 2321, 2322 ] - atom: 87 pair_distance: 4.19853755 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2323, 2324, 2325, 2326, 2327, 2328 ] - atom: 91 pair_distance: 9.58980627 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2329, 2330, 2331, 2332, 2333, 2334 ] - atom: 92 pair_distance: 10.88540330 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2335, 2336, 2337, 2338, 2339, 2340 ] - atom: 93 pair_distance: 9.58980627 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2341, 2342, 2343, 2344, 2345, 2346 ] - atom: 97 pair_distance: 8.73902029 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2347, 2348, 2349, 2350, 2351, 2352 ] - atom: 98 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2353, 2354, 2355, 2356, 2357, 2358 ] - atom: 99 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2359, 2360, 2361, 2362, 2363, 2364 ] - atom: 103 pair_distance: 4.06818034 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2365, 2366, 2367, 2368, 2369, 2370 ] - atom: 104 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2371, 2372, 2373, 2374, 2375, 2376 ] - atom: 105 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2377, 2378, 2379, 2380, 2381, 2382 ] - atom: 109 pair_distance: 3.54117324 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2383, 2384, 2385, 2386 ] - atom: 110 pair_distance: 6.25040228 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2387, 2388, 2389, 2390 ] - atom: 111 pair_distance: 3.54117324 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2391, 2392, 2393, 2394 ] - atom: 112 pair_distance: 8.03097147 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2395, 2396, 2397, 2398 ] - atom: 113 pair_distance: 9.54065635 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2399, 2400, 2401, 2402 ] - atom: 114 pair_distance: 8.03097147 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2403, 2404, 2405, 2406 ] - atom: 115 pair_distance: 7.05040717 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2407, 2408, 2409, 2410 ] - atom: 116 pair_distance: 8.73131502 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2411, 2412, 2413, 2414 ] - atom: 117 pair_distance: 7.05040717 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2415, 2416, 2417, 2418 ] - atom: 118 pair_distance: 10.08289820 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2419, 2420, 2421, 2422 ] - atom: 119 pair_distance: 11.32221078 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2423, 2424, 2425, 2426 ] - atom: 120 pair_distance: 10.08289820 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2427, 2428, 2429, 2430 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 8 paired_with: - atom: 1 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2431, 2432, 2433, 2434, 2435, 2436 ] - atom: 2 pair_distance: 9.88164032 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2437, 2438, 2439, 2440, 2441, 2442 ] - atom: 3 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2443, 2444, 2445, 2446, 2447, 2448 ] - atom: 4 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2449, 2450, 2451, 2452, 2453, 2454 ] - atom: 5 pair_distance: 10.92192988 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2455, 2456, 2457, 2458, 2459, 2460 ] - atom: 6 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2461, 2462, 2463, 2464, 2465, 2466 ] - atom: 7 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2467, 2468, 2469, 2470, 2471, 2472 ] - atom: 8 pair_distance: 6.15031959 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2473, 2474, 2475, 2476, 2477, 2478 ] - atom: 9 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2479, 2480, 2481, 2482, 2483, 2484 ] - atom: 10 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2485, 2486, 2487, 2488, 2489, 2490 ] - atom: 11 pair_distance: 7.71156066 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2491, 2492, 2493, 2494, 2495, 2496 ] - atom: 12 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2497, 2498, 2499, 2500, 2501, 2502 ] - atom: 25 pair_distance: 3.38785923 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2503, 2504, 2505, 2506, 2507, 2508 ] - atom: 26 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2509, 2510, 2511, 2512, 2513, 2514 ] - atom: 27 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2515, 2516, 2517, 2518, 2519, 2520 ] - atom: 28 pair_distance: 6.46470790 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2521, 2522, 2523, 2524, 2525, 2526 ] - atom: 29 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2527, 2528, 2529, 2530, 2531, 2532 ] - atom: 30 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2533, 2534, 2535, 2536, 2537, 2538 ] - atom: 31 pair_distance: 6.97466297 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2539, 2540, 2541, 2542, 2543, 2544 ] - atom: 32 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2545, 2546, 2547, 2548, 2549, 2550 ] - atom: 33 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2551, 2552, 2553, 2554, 2555, 2556 ] - atom: 34 pair_distance: 8.88598794 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2557, 2558, 2559, 2560, 2561, 2562 ] - atom: 35 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2563, 2564, 2565, 2566, 2567, 2568 ] - atom: 36 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2569, 2570, 2571, 2572, 2573, 2574 ] - atom: 49 pair_distance: 0.00000000 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2575, 2576, 2577, 2578 ] - atom: 50 pair_distance: 3.64195145 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2579, 2580, 2581, 2582 ] - atom: 51 pair_distance: 3.64195145 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2583, 2584, 2585, 2586 ] - atom: 52 pair_distance: 7.20809232 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2587, 2588, 2589, 2590 ] - atom: 53 pair_distance: 8.07591513 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2591, 2592, 2593, 2594 ] - atom: 54 pair_distance: 8.07591513 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2595, 2596, 2597, 2598 ] - atom: 55 pair_distance: 9.84828502 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2599, 2600, 2601, 2602 ] - atom: 56 pair_distance: 10.50012039 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2603, 2604, 2605, 2606 ] - atom: 57 pair_distance: 10.50012039 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2607, 2608, 2609, 2610 ] - atom: 58 pair_distance: 12.20431533 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2611, 2612, 2613, 2614 ] - atom: 59 pair_distance: 12.73613454 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2615, 2616, 2617, 2618 ] - atom: 60 pair_distance: 12.73613454 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2619, 2620, 2621, 2622 ] - atom: 61 pair_distance: 6.07419305 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2623, 2624, 2625, 2626 ] - atom: 62 pair_distance: 7.08234648 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2627, 2628, 2629, 2630 ] - atom: 63 pair_distance: 7.08234648 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2631, 2632, 2633, 2634 ] - atom: 64 pair_distance: 9.42615596 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2635, 2636, 2637, 2638 ] - atom: 65 pair_distance: 10.10525737 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2639, 2640, 2641, 2642 ] - atom: 66 pair_distance: 10.10525737 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2643, 2644, 2645, 2646 ] - atom: 67 pair_distance: 3.77409197 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2647, 2648, 2649, 2650 ] - atom: 68 pair_distance: 5.24476697 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2651, 2652, 2653, 2654 ] - atom: 69 pair_distance: 5.24476697 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2655, 2656, 2657, 2658 ] - atom: 70 pair_distance: 8.13636068 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2659, 2660, 2661, 2662 ] - atom: 71 pair_distance: 8.91426808 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2663, 2664, 2665, 2666 ] - atom: 72 pair_distance: 8.91426808 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2667, 2668, 2669, 2670 ] - atom: 73 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2671, 2672, 2673, 2674, 2675, 2676 ] - atom: 74 pair_distance: 8.19023208 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2677, 2678, 2679, 2680, 2681, 2682 ] - atom: 75 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2683, 2684, 2685, 2686, 2687, 2688 ] - atom: 79 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2689, 2690, 2691, 2692, 2693, 2694 ] - atom: 80 pair_distance: 8.19023208 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2695, 2696, 2697, 2698, 2699, 2700 ] - atom: 81 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2701, 2702, 2703, 2704, 2705, 2706 ] - atom: 85 pair_distance: 4.19853755 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2707, 2708, 2709, 2710, 2711, 2712 ] - atom: 86 pair_distance: 6.64494833 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2713, 2714, 2715, 2716, 2717, 2718 ] - atom: 87 pair_distance: 4.19853755 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2719, 2720, 2721, 2722, 2723, 2724 ] - atom: 91 pair_distance: 9.58980627 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2725, 2726, 2727, 2728, 2729, 2730 ] - atom: 92 pair_distance: 10.88540330 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2731, 2732, 2733, 2734, 2735, 2736 ] - atom: 93 pair_distance: 9.58980627 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2737, 2738, 2739, 2740, 2741, 2742 ] - atom: 97 pair_distance: 8.73902029 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2743, 2744, 2745, 2746, 2747, 2748 ] - atom: 98 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2749, 2750, 2751, 2752, 2753, 2754 ] - atom: 99 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2755, 2756, 2757, 2758, 2759, 2760 ] - atom: 103 pair_distance: 4.06818034 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2761, 2762, 2763, 2764, 2765, 2766 ] - atom: 104 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2767, 2768, 2769, 2770, 2771, 2772 ] - atom: 105 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2773, 2774, 2775, 2776, 2777, 2778 ] - atom: 109 pair_distance: 3.54117324 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2779, 2780, 2781, 2782 ] - atom: 110 pair_distance: 6.25040228 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2783, 2784, 2785, 2786 ] - atom: 111 pair_distance: 3.54117324 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2787, 2788, 2789, 2790 ] - atom: 112 pair_distance: 8.03097147 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2791, 2792, 2793, 2794 ] - atom: 113 pair_distance: 9.54065635 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2795, 2796, 2797, 2798 ] - atom: 114 pair_distance: 8.03097147 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2799, 2800, 2801, 2802 ] - atom: 115 pair_distance: 7.05040717 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2803, 2804, 2805, 2806 ] - atom: 116 pair_distance: 8.73131502 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2807, 2808, 2809, 2810 ] - atom: 117 pair_distance: 7.05040717 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2811, 2812, 2813, 2814 ] - atom: 118 pair_distance: 10.08289820 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2815, 2816, 2817, 2818 ] - atom: 119 pair_distance: 11.32221078 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2819, 2820, 2821, 2822 ] - atom: 120 pair_distance: 10.08289820 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2823, 2824, 2825, 2826 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] displacement_id: 9 paired_with: - atom: 1 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2827, 2828, 2829, 2830, 2831, 2832 ] - atom: 2 pair_distance: 9.88164032 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2833, 2834, 2835, 2836 ] - atom: 4 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2837, 2838, 2839, 2840, 2841, 2842 ] - atom: 5 pair_distance: 10.92192988 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2843, 2844, 2845, 2846 ] - atom: 7 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2847, 2848, 2849, 2850, 2851, 2852 ] - atom: 8 pair_distance: 6.15031959 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2853, 2854, 2855, 2856 ] - atom: 10 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2857, 2858, 2859, 2860, 2861, 2862 ] - atom: 11 pair_distance: 7.71156066 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2863, 2864, 2865, 2866 ] - atom: 13 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2867, 2868, 2869, 2870, 2871, 2872 ] - atom: 14 pair_distance: 9.88164032 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2873, 2874, 2875, 2876 ] - atom: 16 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2877, 2878, 2879, 2880, 2881, 2882 ] - atom: 17 pair_distance: 10.92192988 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2883, 2884, 2885, 2886 ] - atom: 19 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2887, 2888, 2889, 2890, 2891, 2892 ] - atom: 20 pair_distance: 6.15031959 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2893, 2894, 2895, 2896 ] - atom: 22 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2897, 2898, 2899, 2900, 2901, 2902 ] - atom: 23 pair_distance: 7.71156066 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2903, 2904, 2905, 2906 ] - atom: 25 pair_distance: 3.38785923 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2907, 2908, 2909, 2910 ] - atom: 26 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2911, 2912, 2913, 2914, 2915, 2916 ] - atom: 28 pair_distance: 6.46470790 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2917, 2918, 2919, 2920 ] - atom: 29 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2921, 2922, 2923, 2924, 2925, 2926 ] - atom: 31 pair_distance: 6.97466297 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2927, 2928, 2929, 2930 ] - atom: 32 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2931, 2932, 2933, 2934, 2935, 2936 ] - atom: 34 pair_distance: 8.88598794 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2937, 2938, 2939, 2940 ] - atom: 35 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2941, 2942, 2943, 2944, 2945, 2946 ] - atom: 37 pair_distance: 3.38785923 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2947, 2948, 2949, 2950 ] - atom: 38 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2951, 2952, 2953, 2954, 2955, 2956 ] - atom: 40 pair_distance: 6.46470790 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2957, 2958, 2959, 2960 ] - atom: 41 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2961, 2962, 2963, 2964, 2965, 2966 ] - atom: 43 pair_distance: 6.97466297 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2967, 2968, 2969, 2970 ] - atom: 44 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2971, 2972, 2973, 2974, 2975, 2976 ] - atom: 46 pair_distance: 8.88598794 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2977, 2978, 2979, 2980 ] - atom: 47 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2981, 2982, 2983, 2984, 2985, 2986 ] - atom: 49 pair_distance: 0.00000000 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2987, 2988, 2989, 2990 ] - atom: 50 pair_distance: 3.64195145 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2991, 2992, 2993, 2994, 2995, 2996 ] - atom: 52 pair_distance: 7.20809232 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2997, 2998, 2999, 3000 ] - atom: 53 pair_distance: 8.07591513 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3001, 3002, 3003, 3004, 3005, 3006 ] - atom: 55 pair_distance: 9.84828502 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3007, 3008, 3009, 3010 ] - atom: 56 pair_distance: 10.50012039 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3011, 3012, 3013, 3014, 3015, 3016 ] - atom: 58 pair_distance: 12.20431533 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3017, 3018, 3019, 3020 ] - atom: 59 pair_distance: 12.73613454 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3021, 3022, 3023, 3024, 3025, 3026 ] - atom: 61 pair_distance: 6.07419305 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3027, 3028, 3029, 3030 ] - atom: 62 pair_distance: 7.08234648 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3031, 3032, 3033, 3034, 3035, 3036 ] - atom: 64 pair_distance: 9.42615596 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3037, 3038, 3039, 3040 ] - atom: 65 pair_distance: 10.10525737 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3041, 3042, 3043, 3044, 3045, 3046 ] - atom: 67 pair_distance: 3.77409197 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3047, 3048, 3049, 3050 ] - atom: 68 pair_distance: 5.24476697 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3051, 3052, 3053, 3054, 3055, 3056 ] - atom: 70 pair_distance: 8.13636068 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3057, 3058, 3059, 3060 ] - atom: 71 pair_distance: 8.91426808 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3061, 3062, 3063, 3064, 3065, 3066 ] - atom: 73 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3067, 3068, 3069, 3070, 3071, 3072 ] - atom: 74 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3073, 3074, 3075, 3076 ] - atom: 76 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3077, 3078, 3079, 3080, 3081, 3082 ] - atom: 77 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3083, 3084, 3085, 3086 ] - atom: 79 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3087, 3088, 3089, 3090, 3091, 3092 ] - atom: 80 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3093, 3094, 3095, 3096 ] - atom: 82 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3097, 3098, 3099, 3100, 3101, 3102 ] - atom: 83 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3103, 3104, 3105, 3106 ] - atom: 85 pair_distance: 4.19853755 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3107, 3108, 3109, 3110, 3111, 3112 ] - atom: 86 pair_distance: 6.64494833 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3113, 3114, 3115, 3116 ] - atom: 88 pair_distance: 4.19853755 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3117, 3118, 3119, 3120, 3121, 3122 ] - atom: 89 pair_distance: 6.64494833 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3123, 3124, 3125, 3126 ] - atom: 91 pair_distance: 9.58980627 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 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: 10.88540330 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3133, 3134, 3135, 3136 ] - atom: 94 pair_distance: 9.58980627 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3137, 3138, 3139, 3140, 3141, 3142 ] - atom: 95 pair_distance: 10.88540330 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3143, 3144, 3145, 3146 ] - atom: 97 pair_distance: 8.73902029 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3147, 3148, 3149, 3150 ] - atom: 98 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3151, 3152, 3153, 3154, 3155, 3156 ] - atom: 100 pair_distance: 8.73902029 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3157, 3158, 3159, 3160 ] - atom: 101 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3161, 3162, 3163, 3164, 3165, 3166 ] - atom: 103 pair_distance: 4.06818034 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3167, 3168, 3169, 3170 ] - atom: 104 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3171, 3172, 3173, 3174, 3175, 3176 ] - atom: 106 pair_distance: 4.06818034 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3177, 3178, 3179, 3180 ] - atom: 107 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3181, 3182, 3183, 3184, 3185, 3186 ] - atom: 109 pair_distance: 3.54117324 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3187, 3188, 3189, 3190, 3191, 3192 ] - atom: 110 pair_distance: 6.25040228 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3193, 3194, 3195, 3196 ] - atom: 112 pair_distance: 8.03097147 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3197, 3198, 3199, 3200, 3201, 3202 ] - atom: 113 pair_distance: 9.54065635 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3203, 3204, 3205, 3206 ] - atom: 115 pair_distance: 7.05040717 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3207, 3208, 3209, 3210, 3211, 3212 ] - atom: 116 pair_distance: 8.73131502 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3213, 3214, 3215, 3216 ] - atom: 118 pair_distance: 10.08289820 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3217, 3218, 3219, 3220, 3221, 3222 ] - atom: 119 pair_distance: 11.32221078 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3223, 3224, 3225, 3226 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_id: 10 paired_with: - atom: 1 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3227, 3228, 3229, 3230, 3231, 3232 ] - atom: 2 pair_distance: 9.88164032 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3233, 3234, 3235, 3236 ] - atom: 4 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3237, 3238, 3239, 3240, 3241, 3242 ] - atom: 5 pair_distance: 10.92192988 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3243, 3244, 3245, 3246 ] - atom: 7 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3247, 3248, 3249, 3250, 3251, 3252 ] - atom: 8 pair_distance: 6.15031959 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3253, 3254, 3255, 3256 ] - atom: 10 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3257, 3258, 3259, 3260, 3261, 3262 ] - atom: 11 pair_distance: 7.71156066 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3263, 3264, 3265, 3266 ] - atom: 13 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3267, 3268, 3269, 3270, 3271, 3272 ] - atom: 14 pair_distance: 9.88164032 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3273, 3274, 3275, 3276 ] - atom: 16 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3277, 3278, 3279, 3280, 3281, 3282 ] - atom: 17 pair_distance: 10.92192988 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3283, 3284, 3285, 3286 ] - atom: 19 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3287, 3288, 3289, 3290, 3291, 3292 ] - atom: 20 pair_distance: 6.15031959 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3293, 3294, 3295, 3296 ] - atom: 22 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3297, 3298, 3299, 3300, 3301, 3302 ] - atom: 23 pair_distance: 7.71156066 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3303, 3304, 3305, 3306 ] - atom: 25 pair_distance: 3.38785923 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3307, 3308, 3309, 3310 ] - atom: 26 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3311, 3312, 3313, 3314, 3315, 3316 ] - atom: 28 pair_distance: 6.46470790 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3317, 3318, 3319, 3320 ] - atom: 29 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3321, 3322, 3323, 3324, 3325, 3326 ] - atom: 31 pair_distance: 6.97466297 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3327, 3328, 3329, 3330 ] - atom: 32 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3331, 3332, 3333, 3334, 3335, 3336 ] - atom: 34 pair_distance: 8.88598794 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3337, 3338, 3339, 3340 ] - atom: 35 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3341, 3342, 3343, 3344, 3345, 3346 ] - atom: 37 pair_distance: 3.38785923 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3347, 3348, 3349, 3350 ] - atom: 38 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3351, 3352, 3353, 3354, 3355, 3356 ] - atom: 40 pair_distance: 6.46470790 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3357, 3358, 3359, 3360 ] - atom: 41 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3361, 3362, 3363, 3364, 3365, 3366 ] - atom: 43 pair_distance: 6.97466297 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3367, 3368, 3369, 3370 ] - atom: 44 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3371, 3372, 3373, 3374, 3375, 3376 ] - atom: 46 pair_distance: 8.88598794 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3377, 3378, 3379, 3380 ] - atom: 47 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3381, 3382, 3383, 3384, 3385, 3386 ] - atom: 49 pair_distance: 0.00000000 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3387, 3388, 3389, 3390 ] - atom: 50 pair_distance: 3.64195145 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3391, 3392, 3393, 3394, 3395, 3396 ] - atom: 52 pair_distance: 7.20809232 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3397, 3398, 3399, 3400 ] - atom: 53 pair_distance: 8.07591513 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3401, 3402, 3403, 3404, 3405, 3406 ] - atom: 55 pair_distance: 9.84828502 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3407, 3408, 3409, 3410 ] - atom: 56 pair_distance: 10.50012039 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3411, 3412, 3413, 3414, 3415, 3416 ] - atom: 58 pair_distance: 12.20431533 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3417, 3418, 3419, 3420 ] - atom: 59 pair_distance: 12.73613454 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3421, 3422, 3423, 3424, 3425, 3426 ] - atom: 61 pair_distance: 6.07419305 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3427, 3428, 3429, 3430 ] - atom: 62 pair_distance: 7.08234648 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3431, 3432, 3433, 3434, 3435, 3436 ] - atom: 64 pair_distance: 9.42615596 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3437, 3438, 3439, 3440 ] - atom: 65 pair_distance: 10.10525737 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3441, 3442, 3443, 3444, 3445, 3446 ] - atom: 67 pair_distance: 3.77409197 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3447, 3448, 3449, 3450 ] - atom: 68 pair_distance: 5.24476697 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3451, 3452, 3453, 3454, 3455, 3456 ] - atom: 70 pair_distance: 8.13636068 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3457, 3458, 3459, 3460 ] - atom: 71 pair_distance: 8.91426808 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3461, 3462, 3463, 3464, 3465, 3466 ] - atom: 73 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3467, 3468, 3469, 3470, 3471, 3472 ] - atom: 74 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3473, 3474, 3475, 3476 ] - atom: 76 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3477, 3478, 3479, 3480, 3481, 3482 ] - atom: 77 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3483, 3484, 3485, 3486 ] - atom: 79 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3487, 3488, 3489, 3490, 3491, 3492 ] - atom: 80 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3493, 3494, 3495, 3496 ] - atom: 82 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3497, 3498, 3499, 3500, 3501, 3502 ] - atom: 83 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3503, 3504, 3505, 3506 ] - atom: 85 pair_distance: 4.19853755 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3507, 3508, 3509, 3510, 3511, 3512 ] - atom: 86 pair_distance: 6.64494833 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3513, 3514, 3515, 3516 ] - atom: 88 pair_distance: 4.19853755 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3517, 3518, 3519, 3520, 3521, 3522 ] - atom: 89 pair_distance: 6.64494833 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3523, 3524, 3525, 3526 ] - atom: 91 pair_distance: 9.58980627 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3527, 3528, 3529, 3530, 3531, 3532 ] - atom: 92 pair_distance: 10.88540330 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3533, 3534, 3535, 3536 ] - atom: 94 pair_distance: 9.58980627 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3537, 3538, 3539, 3540, 3541, 3542 ] - atom: 95 pair_distance: 10.88540330 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3543, 3544, 3545, 3546 ] - atom: 97 pair_distance: 8.73902029 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3547, 3548, 3549, 3550 ] - atom: 98 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3551, 3552, 3553, 3554, 3555, 3556 ] - atom: 100 pair_distance: 8.73902029 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3557, 3558, 3559, 3560 ] - atom: 101 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3561, 3562, 3563, 3564, 3565, 3566 ] - atom: 103 pair_distance: 4.06818034 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3567, 3568, 3569, 3570 ] - atom: 104 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3571, 3572, 3573, 3574, 3575, 3576 ] - atom: 106 pair_distance: 4.06818034 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3577, 3578, 3579, 3580 ] - atom: 107 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3581, 3582, 3583, 3584, 3585, 3586 ] - atom: 109 pair_distance: 3.54117324 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3587, 3588, 3589, 3590, 3591, 3592 ] - atom: 110 pair_distance: 6.25040228 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3593, 3594, 3595, 3596 ] - atom: 112 pair_distance: 8.03097147 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3597, 3598, 3599, 3600, 3601, 3602 ] - atom: 113 pair_distance: 9.54065635 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3603, 3604, 3605, 3606 ] - atom: 115 pair_distance: 7.05040717 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3607, 3608, 3609, 3610, 3611, 3612 ] - atom: 116 pair_distance: 8.73131502 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3613, 3614, 3615, 3616 ] - atom: 118 pair_distance: 10.08289820 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3617, 3618, 3619, 3620, 3621, 3622 ] - atom: 119 pair_distance: 11.32221078 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3623, 3624, 3625, 3626 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_id: 11 paired_with: - atom: 1 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3627, 3628, 3629, 3630, 3631, 3632 ] - atom: 2 pair_distance: 9.88164032 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3633, 3634, 3635, 3636 ] - atom: 4 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3637, 3638, 3639, 3640, 3641, 3642 ] - atom: 5 pair_distance: 10.92192988 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3643, 3644, 3645, 3646 ] - atom: 7 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3647, 3648, 3649, 3650, 3651, 3652 ] - atom: 8 pair_distance: 6.15031959 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3653, 3654, 3655, 3656 ] - atom: 10 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3657, 3658, 3659, 3660, 3661, 3662 ] - atom: 11 pair_distance: 7.71156066 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3663, 3664, 3665, 3666 ] - atom: 25 pair_distance: 3.38785923 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3667, 3668, 3669, 3670 ] - atom: 26 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3671, 3672, 3673, 3674, 3675, 3676 ] - atom: 28 pair_distance: 6.46470790 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3677, 3678, 3679, 3680 ] - atom: 29 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3681, 3682, 3683, 3684, 3685, 3686 ] - atom: 31 pair_distance: 6.97466297 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3687, 3688, 3689, 3690 ] - atom: 32 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3691, 3692, 3693, 3694, 3695, 3696 ] - atom: 34 pair_distance: 8.88598794 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3697, 3698, 3699, 3700 ] - atom: 35 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3701, 3702, 3703, 3704, 3705, 3706 ] - atom: 49 pair_distance: 0.00000000 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3707, 3708 ] - atom: 50 pair_distance: 3.64195145 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3709, 3710, 3711, 3712 ] - atom: 52 pair_distance: 7.20809232 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3713, 3714 ] - atom: 53 pair_distance: 8.07591513 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3715, 3716, 3717, 3718 ] - atom: 55 pair_distance: 9.84828502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3719, 3720 ] - atom: 56 pair_distance: 10.50012039 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3721, 3722, 3723, 3724 ] - atom: 58 pair_distance: 12.20431533 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3725, 3726 ] - atom: 59 pair_distance: 12.73613454 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3727, 3728, 3729, 3730 ] - atom: 61 pair_distance: 6.07419305 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3731, 3732 ] - atom: 62 pair_distance: 7.08234648 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3733, 3734, 3735, 3736 ] - atom: 64 pair_distance: 9.42615596 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3737, 3738 ] - atom: 65 pair_distance: 10.10525737 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3739, 3740, 3741, 3742 ] - atom: 67 pair_distance: 3.77409197 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3743, 3744 ] - atom: 68 pair_distance: 5.24476697 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3745, 3746, 3747, 3748 ] - atom: 70 pair_distance: 8.13636068 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3749, 3750 ] - atom: 71 pair_distance: 8.91426808 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3751, 3752, 3753, 3754 ] - atom: 73 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3755, 3756, 3757, 3758, 3759, 3760 ] - atom: 74 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3761, 3762, 3763, 3764 ] - atom: 79 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3765, 3766, 3767, 3768, 3769, 3770 ] - atom: 80 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3771, 3772, 3773, 3774 ] - atom: 85 pair_distance: 4.19853755 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3775, 3776, 3777, 3778, 3779, 3780 ] - atom: 86 pair_distance: 6.64494833 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3781, 3782, 3783, 3784 ] - atom: 91 pair_distance: 9.58980627 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3785, 3786, 3787, 3788, 3789, 3790 ] - atom: 92 pair_distance: 10.88540330 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3791, 3792, 3793, 3794 ] - atom: 97 pair_distance: 8.73902029 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3795, 3796, 3797, 3798 ] - atom: 98 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3799, 3800, 3801, 3802, 3803, 3804 ] - atom: 103 pair_distance: 4.06818034 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3805, 3806, 3807, 3808 ] - atom: 104 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3809, 3810, 3811, 3812, 3813, 3814 ] - atom: 109 pair_distance: 3.54117324 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3815, 3816, 3817, 3818 ] - atom: 110 pair_distance: 6.25040228 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3819, 3820 ] - atom: 112 pair_distance: 8.03097147 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3821, 3822, 3823, 3824 ] - atom: 113 pair_distance: 9.54065635 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3825, 3826 ] - atom: 115 pair_distance: 7.05040717 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3827, 3828, 3829, 3830 ] - atom: 116 pair_distance: 8.73131502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3831, 3832 ] - atom: 118 pair_distance: 10.08289820 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3833, 3834, 3835, 3836 ] - atom: 119 pair_distance: 11.32221078 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3837, 3838 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_id: 12 paired_with: - atom: 1 pair_distance: 8.43321971 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3839, 3840, 3841, 3842, 3843, 3844 ] - atom: 2 pair_distance: 9.88164032 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3845, 3846, 3847, 3848 ] - atom: 4 pair_distance: 9.63124766 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3849, 3850, 3851, 3852, 3853, 3854 ] - atom: 5 pair_distance: 10.92192988 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3855, 3856, 3857, 3858 ] - atom: 7 pair_distance: 3.36137030 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3859, 3860, 3861, 3862, 3863, 3864 ] - atom: 8 pair_distance: 6.15031959 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3865, 3866, 3867, 3868 ] - atom: 10 pair_distance: 5.73938561 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3869, 3870, 3871, 3872, 3873, 3874 ] - atom: 11 pair_distance: 7.71156066 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3875, 3876, 3877, 3878 ] - atom: 25 pair_distance: 3.38785923 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3879, 3880, 3881, 3882 ] - atom: 26 pair_distance: 4.97407283 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3883, 3884, 3885, 3886, 3887, 3888 ] - atom: 28 pair_distance: 6.46470790 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3889, 3890, 3891, 3892 ] - atom: 29 pair_distance: 7.41999047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3893, 3894, 3895, 3896, 3897, 3898 ] - atom: 31 pair_distance: 6.97466297 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3899, 3900, 3901, 3902 ] - atom: 32 pair_distance: 7.86827388 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3903, 3904, 3905, 3906, 3907, 3908 ] - atom: 34 pair_distance: 8.88598794 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3909, 3910, 3911, 3912 ] - atom: 35 pair_distance: 9.60336358 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3913, 3914, 3915, 3916, 3917, 3918 ] - atom: 49 pair_distance: 0.00000000 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3919, 3920 ] - atom: 50 pair_distance: 3.64195145 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3921, 3922, 3923, 3924 ] - atom: 52 pair_distance: 7.20809232 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3925, 3926 ] - atom: 53 pair_distance: 8.07591513 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3927, 3928, 3929, 3930 ] - atom: 55 pair_distance: 9.84828502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3931, 3932 ] - atom: 56 pair_distance: 10.50012039 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3933, 3934, 3935, 3936 ] - atom: 58 pair_distance: 12.20431533 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3937, 3938 ] - atom: 59 pair_distance: 12.73613454 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3939, 3940, 3941, 3942 ] - atom: 61 pair_distance: 6.07419305 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3943, 3944 ] - atom: 62 pair_distance: 7.08234648 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3945, 3946, 3947, 3948 ] - atom: 64 pair_distance: 9.42615596 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3949, 3950 ] - atom: 65 pair_distance: 10.10525737 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3951, 3952, 3953, 3954 ] - atom: 67 pair_distance: 3.77409197 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3955, 3956 ] - atom: 68 pair_distance: 5.24476697 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3957, 3958, 3959, 3960 ] - atom: 70 pair_distance: 8.13636068 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 3961, 3962 ] - atom: 71 pair_distance: 8.91426808 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3963, 3964, 3965, 3966 ] - atom: 73 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3967, 3968, 3969, 3970, 3971, 3972 ] - atom: 74 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3973, 3974, 3975, 3976 ] - atom: 79 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3977, 3978, 3979, 3980, 3981, 3982 ] - atom: 80 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3983, 3984, 3985, 3986 ] - atom: 85 pair_distance: 4.19853755 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3987, 3988, 3989, 3990, 3991, 3992 ] - atom: 86 pair_distance: 6.64494833 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3993, 3994, 3995, 3996 ] - atom: 91 pair_distance: 9.58980627 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3997, 3998, 3999, 4000, 4001, 4002 ] - atom: 92 pair_distance: 10.88540330 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4003, 4004, 4005, 4006 ] - atom: 97 pair_distance: 8.73902029 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4007, 4008, 4009, 4010 ] - atom: 98 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4011, 4012, 4013, 4014, 4015, 4016 ] - atom: 103 pair_distance: 4.06818034 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4017, 4018, 4019, 4020 ] - atom: 104 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4021, 4022, 4023, 4024, 4025, 4026 ] - atom: 109 pair_distance: 3.54117324 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4027, 4028, 4029, 4030 ] - atom: 110 pair_distance: 6.25040228 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4031, 4032 ] - atom: 112 pair_distance: 8.03097147 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4033, 4034, 4035, 4036 ] - atom: 113 pair_distance: 9.54065635 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4037, 4038 ] - atom: 115 pair_distance: 7.05040717 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4039, 4040, 4041, 4042 ] - atom: 116 pair_distance: 8.73131502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4043, 4044 ] - atom: 118 pair_distance: 10.08289820 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4045, 4046, 4047, 4048 ] - atom: 119 pair_distance: 11.32221078 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4049, 4050 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 13 paired_with: - atom: 1 pair_distance: 2.35999734 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4051, 4052, 4053, 4054 ] - atom: 2 pair_distance: 5.66543980 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4055, 4056, 4057, 4058 ] - atom: 3 pair_distance: 2.35999734 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4059, 4060, 4061, 4062 ] - atom: 4 pair_distance: 5.99036272 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4063, 4064, 4065, 4066 ] - atom: 5 pair_distance: 7.90013077 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4067, 4068, 4069, 4070 ] - atom: 6 pair_distance: 5.99036272 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4071, 4072, 4073, 4074 ] - atom: 7 pair_distance: 10.12710745 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4075, 4076, 4077, 4078 ] - atom: 8 pair_distance: 11.36159874 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4079, 4080, 4081, 4082 ] - atom: 9 pair_distance: 10.12710745 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4083, 4084, 4085, 4086 ] - atom: 10 pair_distance: 11.52706222 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4087, 4088, 4089, 4090 ] - atom: 11 pair_distance: 12.62540233 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4091, 4092, 4093, 4094 ] - atom: 12 pair_distance: 11.52706222 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4095, 4096, 4097, 4098 ] - atom: 25 pair_distance: 7.09301286 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4099, 4100, 4101, 4102, 4103, 4104 ] - atom: 26 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4105, 4106, 4107, 4108, 4109, 4110 ] - atom: 27 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4111, 4112, 4113, 4114, 4115, 4116 ] - atom: 28 pair_distance: 5.35435287 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4117, 4118, 4119, 4120, 4121, 4122 ] - atom: 29 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4123, 4124, 4125, 4126, 4127, 4128 ] - atom: 30 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4129, 4130, 4131, 4132, 4133, 4134 ] - atom: 49 pair_distance: 8.73902029 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4135, 4136, 4137, 4138, 4139, 4140 ] - atom: 50 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4141, 4142, 4143, 4144, 4145, 4146 ] - atom: 51 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4147, 4148, 4149, 4150, 4151, 4152 ] - atom: 55 pair_distance: 4.06818034 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4153, 4154, 4155, 4156, 4157, 4158 ] - atom: 56 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4159, 4160, 4161, 4162, 4163, 4164 ] - atom: 57 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4165, 4166, 4167, 4168, 4169, 4170 ] - atom: 73 pair_distance: 3.54117324 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4171, 4172, 4173, 4174 ] - atom: 74 pair_distance: 6.25040228 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4175, 4176, 4177, 4178 ] - atom: 75 pair_distance: 3.54117324 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4179, 4180, 4181, 4182 ] - atom: 76 pair_distance: 8.03097147 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4183, 4184, 4185, 4186 ] - atom: 77 pair_distance: 9.54065635 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4187, 4188, 4189, 4190 ] - atom: 78 pair_distance: 8.03097147 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4191, 4192, 4193, 4194 ] - atom: 79 pair_distance: 7.05040717 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4195, 4196, 4197, 4198 ] - atom: 80 pair_distance: 8.73131502 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4199, 4200, 4201, 4202 ] - atom: 81 pair_distance: 7.05040717 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4203, 4204, 4205, 4206 ] - atom: 82 pair_distance: 10.08289820 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4207, 4208, 4209, 4210 ] - atom: 83 pair_distance: 11.32221078 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4211, 4212, 4213, 4214 ] - atom: 84 pair_distance: 10.08289820 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4215, 4216, 4217, 4218 ] - atom: 97 pair_distance: 0.00000000 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4219, 4220 ] - atom: 98 pair_distance: 3.64195145 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4221, 4222 ] - atom: 99 pair_distance: 3.64195145 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4223, 4224 ] - atom: 100 pair_distance: 7.20809232 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4225, 4226 ] - atom: 101 pair_distance: 8.07591513 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4227, 4228 ] - atom: 102 pair_distance: 8.07591513 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4229, 4230 ] - atom: 103 pair_distance: 9.84828502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4231, 4232 ] - atom: 104 pair_distance: 10.50012039 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4233, 4234 ] - atom: 105 pair_distance: 10.50012039 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4235, 4236 ] - atom: 106 pair_distance: 12.20431533 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4237, 4238 ] - atom: 107 pair_distance: 12.73613454 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4239, 4240 ] - atom: 108 pair_distance: 12.73613454 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4241, 4242 ] - atom: 109 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4243, 4244, 4245, 4246, 4247, 4248 ] - atom: 110 pair_distance: 8.19023208 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4249, 4250, 4251, 4252, 4253, 4254 ] - atom: 111 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4255, 4256, 4257, 4258, 4259, 4260 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 14 paired_with: - atom: 1 pair_distance: 2.35999734 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4261, 4262, 4263, 4264 ] - atom: 2 pair_distance: 5.66543980 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4265, 4266, 4267, 4268 ] - atom: 3 pair_distance: 2.35999734 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4269, 4270, 4271, 4272 ] - atom: 4 pair_distance: 5.99036272 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4273, 4274, 4275, 4276 ] - atom: 5 pair_distance: 7.90013077 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4277, 4278, 4279, 4280 ] - atom: 6 pair_distance: 5.99036272 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4281, 4282, 4283, 4284 ] - atom: 7 pair_distance: 10.12710745 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4285, 4286, 4287, 4288 ] - atom: 8 pair_distance: 11.36159874 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4289, 4290, 4291, 4292 ] - atom: 9 pair_distance: 10.12710745 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4293, 4294, 4295, 4296 ] - atom: 10 pair_distance: 11.52706222 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4297, 4298, 4299, 4300 ] - atom: 11 pair_distance: 12.62540233 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4301, 4302, 4303, 4304 ] - atom: 12 pair_distance: 11.52706222 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4305, 4306, 4307, 4308 ] - atom: 25 pair_distance: 7.09301286 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4309, 4310, 4311, 4312, 4313, 4314 ] - atom: 26 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4315, 4316, 4317, 4318, 4319, 4320 ] - atom: 27 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4321, 4322, 4323, 4324, 4325, 4326 ] - atom: 28 pair_distance: 5.35435287 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4327, 4328, 4329, 4330, 4331, 4332 ] - atom: 29 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4333, 4334, 4335, 4336, 4337, 4338 ] - atom: 30 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4339, 4340, 4341, 4342, 4343, 4344 ] - atom: 49 pair_distance: 8.73902029 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4345, 4346, 4347, 4348, 4349, 4350 ] - atom: 50 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4351, 4352, 4353, 4354, 4355, 4356 ] - atom: 51 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4357, 4358, 4359, 4360, 4361, 4362 ] - atom: 55 pair_distance: 4.06818034 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4363, 4364, 4365, 4366, 4367, 4368 ] - atom: 56 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4369, 4370, 4371, 4372, 4373, 4374 ] - atom: 57 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4375, 4376, 4377, 4378, 4379, 4380 ] - atom: 73 pair_distance: 3.54117324 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4381, 4382, 4383, 4384 ] - atom: 74 pair_distance: 6.25040228 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4385, 4386, 4387, 4388 ] - atom: 75 pair_distance: 3.54117324 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4389, 4390, 4391, 4392 ] - atom: 76 pair_distance: 8.03097147 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4393, 4394, 4395, 4396 ] - atom: 77 pair_distance: 9.54065635 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4397, 4398, 4399, 4400 ] - atom: 78 pair_distance: 8.03097147 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4401, 4402, 4403, 4404 ] - atom: 79 pair_distance: 7.05040717 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4405, 4406, 4407, 4408 ] - atom: 80 pair_distance: 8.73131502 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4409, 4410, 4411, 4412 ] - atom: 81 pair_distance: 7.05040717 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4413, 4414, 4415, 4416 ] - atom: 82 pair_distance: 10.08289820 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4417, 4418, 4419, 4420 ] - atom: 83 pair_distance: 11.32221078 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4421, 4422, 4423, 4424 ] - atom: 84 pair_distance: 10.08289820 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4425, 4426, 4427, 4428 ] - atom: 97 pair_distance: 0.00000000 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4429, 4430 ] - atom: 98 pair_distance: 3.64195145 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4431, 4432 ] - atom: 99 pair_distance: 3.64195145 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4433, 4434 ] - atom: 100 pair_distance: 7.20809232 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4435, 4436 ] - atom: 101 pair_distance: 8.07591513 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4437, 4438 ] - atom: 102 pair_distance: 8.07591513 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4439, 4440 ] - atom: 103 pair_distance: 9.84828502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4441, 4442 ] - atom: 104 pair_distance: 10.50012039 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4443, 4444 ] - atom: 105 pair_distance: 10.50012039 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4445, 4446 ] - atom: 106 pair_distance: 12.20431533 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4447, 4448 ] - atom: 107 pair_distance: 12.73613454 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4449, 4450 ] - atom: 108 pair_distance: 12.73613454 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4451, 4452 ] - atom: 109 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4453, 4454, 4455, 4456, 4457, 4458 ] - atom: 110 pair_distance: 8.19023208 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4459, 4460, 4461, 4462, 4463, 4464 ] - atom: 111 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4465, 4466, 4467, 4468, 4469, 4470 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] displacement_id: 15 paired_with: - atom: 1 pair_distance: 2.35999734 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4471, 4472, 4473, 4474 ] - atom: 2 pair_distance: 5.66543980 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4475, 4476 ] - atom: 4 pair_distance: 5.99036272 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4477, 4478, 4479, 4480 ] - atom: 5 pair_distance: 7.90013077 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4481, 4482 ] - atom: 7 pair_distance: 10.12710745 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4483, 4484, 4485, 4486 ] - atom: 8 pair_distance: 11.36159874 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4487, 4488 ] - atom: 10 pair_distance: 11.52706222 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4489, 4490, 4491, 4492 ] - atom: 11 pair_distance: 12.62540233 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4493, 4494 ] - atom: 13 pair_distance: 5.99036272 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4495, 4496, 4497, 4498 ] - atom: 14 pair_distance: 7.90013077 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4499, 4500 ] - atom: 16 pair_distance: 2.35999734 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4501, 4502, 4503, 4504 ] - atom: 17 pair_distance: 5.66543980 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4505, 4506 ] - atom: 19 pair_distance: 11.52706222 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4507, 4508, 4509, 4510 ] - atom: 20 pair_distance: 12.62540233 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4511, 4512 ] - atom: 22 pair_distance: 10.12710745 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4513, 4514, 4515, 4516 ] - atom: 23 pair_distance: 11.36159874 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4517, 4518 ] - atom: 25 pair_distance: 7.09301286 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4519, 4520, 4521, 4522 ] - atom: 26 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4523, 4524, 4525, 4526, 4527, 4528 ] - atom: 28 pair_distance: 5.35435287 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4529, 4530, 4531, 4532 ] - atom: 29 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4533, 4534, 4535, 4536, 4537, 4538 ] - atom: 37 pair_distance: 5.35435287 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4539, 4540, 4541, 4542 ] - atom: 38 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4543, 4544, 4545, 4546, 4547, 4548 ] - atom: 40 pair_distance: 7.09301286 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4549, 4550, 4551, 4552 ] - atom: 41 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4553, 4554, 4555, 4556, 4557, 4558 ] - atom: 49 pair_distance: 8.73902029 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4559, 4560, 4561, 4562 ] - atom: 50 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4563, 4564, 4565, 4566, 4567, 4568 ] - atom: 52 pair_distance: 8.73902029 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4569, 4570, 4571, 4572 ] - atom: 53 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4573, 4574, 4575, 4576, 4577, 4578 ] - atom: 55 pair_distance: 4.06818034 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4579, 4580, 4581, 4582 ] - atom: 56 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4583, 4584, 4585, 4586, 4587, 4588 ] - atom: 58 pair_distance: 4.06818034 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4589, 4590, 4591, 4592 ] - atom: 59 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4593, 4594, 4595, 4596, 4597, 4598 ] - atom: 73 pair_distance: 3.54117324 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4599, 4600, 4601, 4602, 4603, 4604 ] - atom: 74 pair_distance: 6.25040228 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4605, 4606, 4607, 4608 ] - atom: 76 pair_distance: 8.03097147 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4609, 4610, 4611, 4612, 4613, 4614 ] - atom: 77 pair_distance: 9.54065635 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4615, 4616, 4617, 4618 ] - atom: 79 pair_distance: 7.05040717 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4619, 4620, 4621, 4622, 4623, 4624 ] - atom: 80 pair_distance: 8.73131502 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4625, 4626, 4627, 4628 ] - atom: 82 pair_distance: 10.08289820 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4629, 4630, 4631, 4632, 4633, 4634 ] - atom: 83 pair_distance: 11.32221078 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4635, 4636, 4637, 4638 ] - atom: 97 pair_distance: 0.00000000 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4639, 4640 ] - atom: 98 pair_distance: 3.64195145 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4641, 4642, 4643, 4644 ] - atom: 100 pair_distance: 7.20809232 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4645, 4646 ] - atom: 101 pair_distance: 8.07591513 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4647, 4648, 4649, 4650 ] - atom: 103 pair_distance: 9.84828502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4651, 4652 ] - atom: 104 pair_distance: 10.50012039 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4653, 4654, 4655, 4656 ] - atom: 106 pair_distance: 12.20431533 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4657, 4658 ] - atom: 107 pair_distance: 12.73613454 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4659, 4660, 4661, 4662 ] - atom: 109 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4663, 4664, 4665, 4666, 4667, 4668 ] - atom: 110 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4669, 4670, 4671, 4672 ] - atom: 112 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4673, 4674, 4675, 4676, 4677, 4678 ] - atom: 113 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4679, 4680, 4681, 4682 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_id: 16 paired_with: - atom: 1 pair_distance: 2.35999734 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4683, 4684, 4685, 4686 ] - atom: 2 pair_distance: 5.66543980 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4687, 4688 ] - atom: 4 pair_distance: 5.99036272 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4689, 4690, 4691, 4692 ] - atom: 5 pair_distance: 7.90013077 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4693, 4694 ] - atom: 7 pair_distance: 10.12710745 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4695, 4696, 4697, 4698 ] - atom: 8 pair_distance: 11.36159874 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4699, 4700 ] - atom: 10 pair_distance: 11.52706222 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4701, 4702, 4703, 4704 ] - atom: 11 pair_distance: 12.62540233 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4705, 4706 ] - atom: 13 pair_distance: 5.99036272 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4707, 4708, 4709, 4710 ] - atom: 14 pair_distance: 7.90013077 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4711, 4712 ] - atom: 16 pair_distance: 2.35999734 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4713, 4714, 4715, 4716 ] - atom: 17 pair_distance: 5.66543980 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4717, 4718 ] - atom: 19 pair_distance: 11.52706222 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4719, 4720, 4721, 4722 ] - atom: 20 pair_distance: 12.62540233 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4723, 4724 ] - atom: 22 pair_distance: 10.12710745 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4725, 4726, 4727, 4728 ] - atom: 23 pair_distance: 11.36159874 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4729, 4730 ] - atom: 25 pair_distance: 7.09301286 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4731, 4732, 4733, 4734 ] - atom: 26 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4735, 4736, 4737, 4738, 4739, 4740 ] - atom: 28 pair_distance: 5.35435287 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4741, 4742, 4743, 4744 ] - atom: 29 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4745, 4746, 4747, 4748, 4749, 4750 ] - atom: 37 pair_distance: 5.35435287 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4751, 4752, 4753, 4754 ] - atom: 38 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4755, 4756, 4757, 4758, 4759, 4760 ] - atom: 40 pair_distance: 7.09301286 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4761, 4762, 4763, 4764 ] - atom: 41 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4765, 4766, 4767, 4768, 4769, 4770 ] - atom: 49 pair_distance: 8.73902029 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4771, 4772, 4773, 4774 ] - atom: 50 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4775, 4776, 4777, 4778, 4779, 4780 ] - atom: 52 pair_distance: 8.73902029 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4781, 4782, 4783, 4784 ] - atom: 53 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4785, 4786, 4787, 4788, 4789, 4790 ] - atom: 55 pair_distance: 4.06818034 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4791, 4792, 4793, 4794 ] - atom: 56 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4795, 4796, 4797, 4798, 4799, 4800 ] - atom: 58 pair_distance: 4.06818034 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4801, 4802, 4803, 4804 ] - atom: 59 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4805, 4806, 4807, 4808, 4809, 4810 ] - atom: 73 pair_distance: 3.54117324 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4811, 4812, 4813, 4814, 4815, 4816 ] - atom: 74 pair_distance: 6.25040228 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4817, 4818, 4819, 4820 ] - atom: 76 pair_distance: 8.03097147 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4821, 4822, 4823, 4824, 4825, 4826 ] - atom: 77 pair_distance: 9.54065635 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4827, 4828, 4829, 4830 ] - atom: 79 pair_distance: 7.05040717 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4831, 4832, 4833, 4834, 4835, 4836 ] - atom: 80 pair_distance: 8.73131502 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4837, 4838, 4839, 4840 ] - atom: 82 pair_distance: 10.08289820 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4841, 4842, 4843, 4844, 4845, 4846 ] - atom: 83 pair_distance: 11.32221078 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4847, 4848, 4849, 4850 ] - atom: 97 pair_distance: 0.00000000 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4851, 4852 ] - atom: 98 pair_distance: 3.64195145 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4853, 4854, 4855, 4856 ] - atom: 100 pair_distance: 7.20809232 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4857, 4858 ] - atom: 101 pair_distance: 8.07591513 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4859, 4860, 4861, 4862 ] - atom: 103 pair_distance: 9.84828502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4863, 4864 ] - atom: 104 pair_distance: 10.50012039 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4865, 4866, 4867, 4868 ] - atom: 106 pair_distance: 12.20431533 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 4869, 4870 ] - atom: 107 pair_distance: 12.73613454 displacements: - [ 0.0048507678688373, 0.0000000000000000, 0.0087447156090210 ] - [ -0.0048507678688373, 0.0000000000000000, -0.0087447156090210 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 4871, 4872, 4873, 4874 ] - atom: 109 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4875, 4876, 4877, 4878, 4879, 4880 ] - atom: 110 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4881, 4882, 4883, 4884 ] - atom: 112 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4885, 4886, 4887, 4888, 4889, 4890 ] - atom: 113 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4891, 4892, 4893, 4894 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_id: 17 paired_with: - atom: 1 pair_distance: 2.35999734 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4895, 4896, 4897, 4898, 4899, 4900 ] - atom: 2 pair_distance: 5.66543980 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4901, 4902, 4903, 4904 ] - atom: 4 pair_distance: 5.99036272 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4905, 4906, 4907, 4908, 4909, 4910 ] - atom: 5 pair_distance: 7.90013077 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4911, 4912, 4913, 4914 ] - atom: 7 pair_distance: 10.12710745 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4915, 4916, 4917, 4918, 4919, 4920 ] - atom: 8 pair_distance: 11.36159874 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4921, 4922, 4923, 4924 ] - atom: 10 pair_distance: 11.52706222 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4925, 4926, 4927, 4928, 4929, 4930 ] - atom: 11 pair_distance: 12.62540233 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4931, 4932, 4933, 4934 ] - atom: 25 pair_distance: 7.09301286 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4935, 4936, 4937, 4938 ] - atom: 26 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4939, 4940, 4941, 4942, 4943, 4944 ] - atom: 28 pair_distance: 5.35435287 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4945, 4946, 4947, 4948 ] - atom: 29 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4949, 4950, 4951, 4952, 4953, 4954 ] - atom: 31 pair_distance: 7.09301286 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4955, 4956, 4957, 4958 ] - atom: 32 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4959, 4960, 4961, 4962, 4963, 4964 ] - atom: 34 pair_distance: 5.35435287 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4965, 4966, 4967, 4968 ] - atom: 35 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4969, 4970, 4971, 4972, 4973, 4974 ] - atom: 49 pair_distance: 8.73902029 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4975, 4976, 4977, 4978 ] - atom: 50 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4979, 4980, 4981, 4982, 4983, 4984 ] - atom: 55 pair_distance: 4.06818034 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4985, 4986, 4987, 4988 ] - atom: 56 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4989, 4990, 4991, 4992, 4993, 4994 ] - atom: 61 pair_distance: 4.06818034 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4995, 4996, 4997, 4998 ] - atom: 62 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4999, 5000, 5001, 5002, 5003, 5004 ] - atom: 67 pair_distance: 8.73902029 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5005, 5006, 5007, 5008 ] - atom: 68 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5009, 5010, 5011, 5012, 5013, 5014 ] - atom: 73 pair_distance: 3.54117324 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5015, 5016, 5017, 5018 ] - atom: 74 pair_distance: 6.25040228 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5019, 5020 ] - atom: 76 pair_distance: 8.03097147 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5021, 5022, 5023, 5024 ] - atom: 77 pair_distance: 9.54065635 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5025, 5026 ] - atom: 79 pair_distance: 7.05040717 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5027, 5028, 5029, 5030 ] - atom: 80 pair_distance: 8.73131502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5031, 5032 ] - atom: 82 pair_distance: 10.08289820 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5033, 5034, 5035, 5036 ] - atom: 83 pair_distance: 11.32221078 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5037, 5038 ] - atom: 85 pair_distance: 7.05040717 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5039, 5040, 5041, 5042 ] - atom: 86 pair_distance: 8.73131502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5043, 5044 ] - atom: 88 pair_distance: 10.08289820 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5045, 5046, 5047, 5048 ] - atom: 89 pair_distance: 11.32221078 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5049, 5050 ] - atom: 91 pair_distance: 3.54117324 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5051, 5052, 5053, 5054 ] - atom: 92 pair_distance: 6.25040228 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5055, 5056 ] - atom: 94 pair_distance: 8.03097147 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5057, 5058, 5059, 5060 ] - atom: 95 pair_distance: 9.54065635 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5061, 5062 ] - atom: 97 pair_distance: 0.00000000 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5063, 5064 ] - atom: 98 pair_distance: 3.64195145 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5065, 5066, 5067, 5068 ] - atom: 100 pair_distance: 7.20809232 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5069, 5070 ] - atom: 101 pair_distance: 8.07591513 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5071, 5072, 5073, 5074 ] - atom: 103 pair_distance: 9.84828502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5075, 5076 ] - atom: 104 pair_distance: 10.50012039 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5077, 5078, 5079, 5080 ] - atom: 106 pair_distance: 12.20431533 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5081, 5082 ] - atom: 107 pair_distance: 12.73613454 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5083, 5084, 5085, 5086 ] - atom: 109 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5087, 5088, 5089, 5090, 5091, 5092 ] - atom: 110 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5093, 5094, 5095, 5096 ] - atom: 115 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5097, 5098, 5099, 5100, 5101, 5102 ] - atom: 116 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5103, 5104, 5105, 5106 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_id: 18 paired_with: - atom: 1 pair_distance: 2.35999734 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5107, 5108, 5109, 5110, 5111, 5112 ] - atom: 2 pair_distance: 5.66543980 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5113, 5114, 5115, 5116 ] - atom: 4 pair_distance: 5.99036272 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5117, 5118, 5119, 5120, 5121, 5122 ] - atom: 5 pair_distance: 7.90013077 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5123, 5124, 5125, 5126 ] - atom: 7 pair_distance: 10.12710745 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5127, 5128, 5129, 5130, 5131, 5132 ] - atom: 8 pair_distance: 11.36159874 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5133, 5134, 5135, 5136 ] - atom: 10 pair_distance: 11.52706222 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5137, 5138, 5139, 5140, 5141, 5142 ] - atom: 11 pair_distance: 12.62540233 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5143, 5144, 5145, 5146 ] - atom: 25 pair_distance: 7.09301286 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5147, 5148, 5149, 5150 ] - atom: 26 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5151, 5152, 5153, 5154, 5155, 5156 ] - atom: 28 pair_distance: 5.35435287 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5157, 5158, 5159, 5160 ] - atom: 29 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5161, 5162, 5163, 5164, 5165, 5166 ] - atom: 31 pair_distance: 7.09301286 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5167, 5168, 5169, 5170 ] - atom: 32 pair_distance: 7.97337079 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5171, 5172, 5173, 5174, 5175, 5176 ] - atom: 34 pair_distance: 5.35435287 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5177, 5178, 5179, 5180 ] - atom: 35 pair_distance: 6.47556214 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5181, 5182, 5183, 5184, 5185, 5186 ] - atom: 49 pair_distance: 8.73902029 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5187, 5188, 5189, 5190 ] - atom: 50 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5191, 5192, 5193, 5194, 5195, 5196 ] - atom: 55 pair_distance: 4.06818034 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5197, 5198, 5199, 5200 ] - atom: 56 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5201, 5202, 5203, 5204, 5205, 5206 ] - atom: 61 pair_distance: 4.06818034 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5207, 5208, 5209, 5210 ] - atom: 62 pair_distance: 5.46021077 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5211, 5212, 5213, 5214, 5215, 5216 ] - atom: 67 pair_distance: 8.73902029 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5217, 5218, 5219, 5220 ] - atom: 68 pair_distance: 9.46753854 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5221, 5222, 5223, 5224, 5225, 5226 ] - atom: 73 pair_distance: 3.54117324 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5227, 5228, 5229, 5230 ] - atom: 74 pair_distance: 6.25040228 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5231, 5232 ] - atom: 76 pair_distance: 8.03097147 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5233, 5234, 5235, 5236 ] - atom: 77 pair_distance: 9.54065635 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5237, 5238 ] - atom: 79 pair_distance: 7.05040717 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5239, 5240, 5241, 5242 ] - atom: 80 pair_distance: 8.73131502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5243, 5244 ] - atom: 82 pair_distance: 10.08289820 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5245, 5246, 5247, 5248 ] - atom: 83 pair_distance: 11.32221078 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5249, 5250 ] - atom: 85 pair_distance: 7.05040717 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5251, 5252, 5253, 5254 ] - atom: 86 pair_distance: 8.73131502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5255, 5256 ] - atom: 88 pair_distance: 10.08289820 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5257, 5258, 5259, 5260 ] - atom: 89 pair_distance: 11.32221078 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5261, 5262 ] - atom: 91 pair_distance: 3.54117324 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5263, 5264, 5265, 5266 ] - atom: 92 pair_distance: 6.25040228 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5267, 5268 ] - atom: 94 pair_distance: 8.03097147 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5269, 5270, 5271, 5272 ] - atom: 95 pair_distance: 9.54065635 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5273, 5274 ] - atom: 97 pair_distance: 0.00000000 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5275, 5276 ] - atom: 98 pair_distance: 3.64195145 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5277, 5278, 5279, 5280 ] - atom: 100 pair_distance: 7.20809232 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5281, 5282 ] - atom: 101 pair_distance: 8.07591513 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5283, 5284, 5285, 5286 ] - atom: 103 pair_distance: 9.84828502 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5287, 5288 ] - atom: 104 pair_distance: 10.50012039 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5289, 5290, 5291, 5292 ] - atom: 106 pair_distance: 12.20431533 displacements: - [ 0.0040855934804492, 0.0053907610417793, 0.0073652984530802 ] - [ -0.0040855934804492, -0.0053907610417793, -0.0073652984530802 ] displacement_ids: [ 5293, 5294 ] - atom: 107 pair_distance: 12.73613454 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5295, 5296, 5297, 5298 ] - atom: 109 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5299, 5300, 5301, 5302, 5303, 5304 ] - atom: 110 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5305, 5306, 5307, 5308 ] - atom: 115 pair_distance: 6.36806727 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5309, 5310, 5311, 5312, 5313, 5314 ] - atom: 116 pair_distance: 8.19023208 displacements: - [ 0.0060401581883690, 0.0079697232737077, 0.0000000000000000 ] - [ -0.0060401581883690, -0.0079697232737077, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5315, 5316, 5317, 5318 ]displacement_pair_info: number_of_singles: 18 number_of_pairs: 5300 duplicated_supercell_ids: # 0 means perfect supercell - [ 2035, 187 ] - [ 2431, 188 ] - [ 2827, 189 ] - [ 3227, 190 ] - [ 3627, 191 ] - [ 3839, 192 ] - [ 2036, 583 ] - [ 2432, 584 ] - [ 2828, 585 ] - [ 3228, 586 ] - [ 3628, 587 ] - [ 3840, 588 ] - [ 2037, 899 ] - [ 2433, 900 ] - [ 2829, 901 ] - [ 3229, 902 ] - [ 3629, 903 ] - [ 3841, 904 ] - [ 2038, 1111 ] - [ 2434, 1112 ] - [ 2830, 1113 ] - [ 3230, 1114 ] - [ 3630, 1115 ] - [ 3842, 1116 ] - [ 2039, 1395 ] - [ 2435, 1396 ] - [ 2831, 1397 ] - [ 3231, 1398 ] - [ 3631, 1399 ] - [ 3843, 1400 ] - [ 2040, 1795 ] - [ 2436, 1796 ] - [ 2832, 1797 ] - [ 3232, 1798 ] - [ 3632, 1799 ] - [ 3844, 1800 ] - [ 4473, 981 ] - [ 4685, 982 ] - [ 4474, 1193 ] - [ 4686, 1194 ] - [ 4899, 1559 ] - [ 5111, 1560 ] - [ 4900, 1959 ] - [ 5112, 1960 ] - [ 4135, 2347 ] - [ 4345, 2348 ] - [ 4136, 2743 ] - [ 4346, 2744 ] - [ 4977, 3797 ] - [ 5189, 3798 ] - [ 4978, 4009 ] - [ 5190, 4010 ] - [ 1638, 0 ] - [ 1238, 0 ] - [ 1637, 0 ] - [ 1237, 0 ]