# Fileset [phono3py_mlp_eval_fc3_disp.yaml.xz](https://mdr.nims.go.jp/filesets/76914354-e1e3-4971-bc44-6682e7d39249/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 LiBeH3 / Cmcm (63) / materials id 977148](https://mdr.nims.go.jp/datasets/590340b8-989e-4df4-a1b7-65bd021dda0d) ## Fulltext phono3py: version: "3.21.0" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "Cmcm" number: 63 Hall_symbol: "-C 2c 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.036250570000000, -2.896423759999999, 0.000000000000000 ] # a - 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symbol: H # 78 coordinates: [ 0.375989701199656, 0.770544047186768, 0.250000000000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 79 coordinates: [ 0.178656564564441, 0.172406646727249, 0.099319544705160 ] mass: 1.007940 reduced_to: 79 - symbol: H # 80 coordinates: [ 0.178656564564441, 0.672406646727248, 0.099319544705160 ] mass: 1.007940 reduced_to: 79 - symbol: H # 81 coordinates: [ 0.321343435435559, 0.422406646727248, 0.099319544705160 ] mass: 1.007940 reduced_to: 81 - symbol: H # 82 coordinates: [ 0.321343435435559, 0.922406646727248, 0.099319544705160 ] mass: 1.007940 reduced_to: 81 - symbol: H # 83 coordinates: [ 0.000000000000000, 0.404467330384691, 0.096930647188857 ] mass: 1.007940 reduced_to: 83 - symbol: H # 84 coordinates: [ 0.000000000000000, 0.904467330384691, 0.096930647188857 ] mass: 1.007940 reduced_to: 83 - symbol: H # 85 coordinates: [ 0.500000000000000, 0.345532669615309, 0.903069352811143 ] mass: 1.007940 reduced_to: 49 - symbol: H # 86 coordinates: [ 0.500000000000000, 0.845532669615309, 0.903069352811143 ] mass: 1.007940 reduced_to: 49 - symbol: H # 87 coordinates: [ 0.678656564564441, 0.077593353272752, 0.900680455294840 ] mass: 1.007940 reduced_to: 51 - symbol: H # 88 coordinates: [ 0.678656564564441, 0.577593353272752, 0.900680455294840 ] mass: 1.007940 reduced_to: 51 - symbol: H # 89 coordinates: [ 0.821343435435559, 0.327593353272752, 0.900680455294840 ] mass: 1.007940 reduced_to: 53 - symbol: H # 90 coordinates: [ 0.821343435435559, 0.827593353272752, 0.900680455294840 ] mass: 1.007940 reduced_to: 53 - symbol: H # 91 coordinates: [ 0.500000000000000, 0.042797013251437, 0.750000000000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 92 coordinates: [ 0.500000000000000, 0.542797013251437, 0.750000000000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 93 coordinates: [ 0.624010298800344, 0.229455952813232, 0.750000000000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 94 coordinates: [ 0.624010298800344, 0.729455952813232, 0.750000000000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 95 coordinates: [ 0.875989701199656, 0.479455952813232, 0.750000000000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 96 coordinates: [ 0.875989701199656, 0.979455952813232, 0.750000000000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 97 coordinates: [ 0.678656564564441, 0.077593353272752, 0.599319544705160 ] mass: 1.007940 reduced_to: 61 - symbol: H # 98 coordinates: [ 0.678656564564441, 0.577593353272752, 0.599319544705160 ] mass: 1.007940 reduced_to: 61 - symbol: H # 99 coordinates: [ 0.821343435435559, 0.327593353272752, 0.599319544705160 ] mass: 1.007940 reduced_to: 63 - symbol: H # 100 coordinates: [ 0.821343435435559, 0.827593353272752, 0.599319544705160 ] mass: 1.007940 reduced_to: 63 - symbol: H # 101 coordinates: [ 0.500000000000000, 0.345532669615309, 0.596930647188857 ] mass: 1.007940 reduced_to: 65 - symbol: H # 102 coordinates: [ 0.500000000000000, 0.845532669615309, 0.596930647188857 ] mass: 1.007940 reduced_to: 65 - symbol: H # 103 coordinates: [ 0.500000000000000, 0.154467330384690, 0.403069352811143 ] mass: 1.007940 reduced_to: 67 - symbol: H # 104 coordinates: [ 0.500000000000000, 0.654467330384691, 0.403069352811143 ] mass: 1.007940 reduced_to: 67 - symbol: H # 105 coordinates: [ 0.678656564564441, 0.422406646727248, 0.400680455294840 ] mass: 1.007940 reduced_to: 69 - symbol: H # 106 coordinates: [ 0.678656564564441, 0.922406646727248, 0.400680455294840 ] mass: 1.007940 reduced_to: 69 - symbol: H # 107 coordinates: [ 0.821343435435559, 0.172406646727249, 0.400680455294840 ] mass: 1.007940 reduced_to: 71 - symbol: H # 108 coordinates: [ 0.821343435435559, 0.672406646727248, 0.400680455294840 ] mass: 1.007940 reduced_to: 71 - symbol: H # 109 coordinates: [ 0.500000000000000, 0.457202986748563, 0.250000000000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 110 coordinates: [ 0.500000000000000, 0.957202986748563, 0.250000000000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 111 coordinates: [ 0.624010298800344, 0.270544047186768, 0.250000000000000 ] mass: 1.007940 reduced_to: 75 - symbol: H # 112 coordinates: [ 0.624010298800344, 0.770544047186768, 0.250000000000000 ] mass: 1.007940 reduced_to: 75 - symbol: H # 113 coordinates: [ 0.875989701199656, 0.020544047186768, 0.250000000000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 114 coordinates: [ 0.875989701199656, 0.520544047186768, 0.250000000000000 ] mass: 1.007940 reduced_to: 77 - symbol: H # 115 coordinates: [ 0.678656564564441, 0.422406646727248, 0.099319544705160 ] mass: 1.007940 reduced_to: 79 - symbol: H # 116 coordinates: [ 0.678656564564441, 0.922406646727248, 0.099319544705160 ] mass: 1.007940 reduced_to: 79 - symbol: H # 117 coordinates: [ 0.821343435435559, 0.172406646727249, 0.099319544705160 ] mass: 1.007940 reduced_to: 81 - symbol: H # 118 coordinates: [ 0.821343435435559, 0.672406646727248, 0.099319544705160 ] mass: 1.007940 reduced_to: 81 - symbol: H # 119 coordinates: [ 0.500000000000000, 0.154467330384690, 0.096930647188857 ] mass: 1.007940 reduced_to: 83 - symbol: H # 120 coordinates: [ 0.500000000000000, 0.654467330384691, 0.096930647188857 ] mass: 1.007940 reduced_to: 83nac: born_effective_charge: - # 1 (Li) - [ 0.931377620000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.203367380000000, -0.144623460000000 ] - [ 0.000000000000000, -0.071491660000000, 1.117396648666667 ] - # 2 (Li) - [ 1.142294510000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.001096480000000, 0.065704560000000 ] - [ 0.000000000000000, 0.034081160000000, 1.122984458666667 ] - # 3 (Li) - [ 1.142294510000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.001096480000000, 0.065704560000000 ] - [ 0.000000000000000, 0.034081160000000, 1.122984458666667 ] - # 4 (Li) - [ 0.931377620000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.203367380000000, 0.144623460000000 ] - [ 0.000000000000000, 0.071491660000000, 1.117396648666667 ] - # 5 (Li) - [ 1.142294510000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.001096480000000, -0.065704560000000 ] - [ 0.000000000000000, -0.034081160000000, 1.122984458666667 ] - # 6 (Li) - [ 1.142294510000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.001096480000000, -0.065704560000000 ] - [ 0.000000000000000, -0.034081160000000, 1.122984458666667 ] - # 7 (Be) - [ 0.624097830000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.686914880000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.700327718666667 ] - # 8 (Be) - [ 0.633589590000000, -0.031165520000000, 0.000000000000000 ] - [ -0.021989050000000, 0.610958010000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.589902208666667 ] - # 9 (Be) - [ 0.633589590000000, 0.031165520000000, 0.000000000000000 ] - [ 0.021989050000000, 0.610958010000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.589902208666667 ] - # 10 (Be) - [ 0.624097830000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.686914880000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.700327718666667 ] - # 11 (Be) - [ 0.633589590000000, 0.031165520000000, 0.000000000000000 ] - [ 0.021989050000000, 0.610958010000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.589902208666667 ] - # 12 (Be) - [ 0.633589590000000, -0.031165520000000, 0.000000000000000 ] - [ -0.021989050000000, 0.610958010000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.589902208666667 ] - # 13 (H) - [ -0.482862930000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.674020610000000, -0.159581520000000 ] - [ 0.000000000000000, -0.158654800000000, -0.813615921333333 ] - # 14 (H) - [ -0.644986840000000, 0.071055400000000, -0.136740450000000 ] - [ 0.090950910000000, -0.549049660000000, 0.082032710000000 ] - [ -0.134650620000000, 0.077198490000000, -0.719024031333333 ] - # 15 (H) - [ -0.644986840000000, -0.071055400000000, 0.136740450000000 ] - [ -0.090950910000000, -0.549049660000000, 0.082032710000000 ] - [ 0.134650620000000, 0.077198490000000, -0.719024031333333 ] - # 16 (H) - [ -0.708231070000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.339920600000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.239953871333333 ] - # 17 (H) - [ -0.426669680000000, 0.160921530000000, 0.000000000000000 ] - [ 0.169190560000000, -0.615115390000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.250107931333333 ] - # 18 (H) - [ -0.426669680000000, -0.160921530000000, 0.000000000000000 ] - [ -0.169190560000000, -0.615115390000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.250107931333333 ] - # 19 (H) - [ -0.644986840000000, 0.071055400000000, 0.136740450000000 ] - [ 0.090950910000000, -0.549049660000000, -0.082032710000000 ] - [ 0.134650620000000, -0.077198490000000, -0.719024031333333 ] - # 20 (H) - [ -0.644986840000000, -0.071055400000000, -0.136740450000000 ] - [ -0.090950910000000, -0.549049660000000, -0.082032710000000 ] - [ -0.134650620000000, -0.077198490000000, -0.719024031333333 ] - # 21 (H) - [ -0.482862930000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.674020610000000, 0.159581520000000 ] - [ 0.000000000000000, 0.158654800000000, -0.813615921333333 ] - # 22 (H) - [ -0.482862930000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.674020610000000, 0.159581520000000 ] - [ 0.000000000000000, 0.158654800000000, -0.813615921333333 ] - # 23 (H) - [ -0.644986840000000, -0.071055400000000, -0.136740450000000 ] - [ -0.090950910000000, -0.549049660000000, -0.082032710000000 ] - [ -0.134650620000000, -0.077198490000000, -0.719024031333333 ] - # 24 (H) - [ -0.644986840000000, 0.071055400000000, 0.136740450000000 ] - [ 0.090950910000000, -0.549049660000000, -0.082032710000000 ] - [ 0.134650620000000, -0.077198490000000, -0.719024031333333 ] - # 25 (H) - [ -0.708231070000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.339920600000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.239953871333333 ] - # 26 (H) - [ -0.426669680000000, -0.160921530000000, 0.000000000000000 ] - [ -0.169190560000000, -0.615115390000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.250107931333333 ] - # 27 (H) - [ -0.426669680000000, 0.160921530000000, 0.000000000000000 ] - [ 0.169190560000000, -0.615115390000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.250107931333333 ] - # 28 (H) - [ -0.644986840000000, -0.071055400000000, 0.136740450000000 ] - [ -0.090950910000000, -0.549049660000000, 0.082032710000000 ] - [ 0.134650620000000, 0.077198490000000, -0.719024031333333 ] - # 29 (H) - [ -0.644986840000000, 0.071055400000000, -0.136740450000000 ] - [ 0.090950910000000, -0.549049660000000, 0.082032710000000 ] - [ -0.134650620000000, 0.077198490000000, -0.719024031333333 ] - # 30 (H) - [ -0.482862930000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.674020610000000, -0.159581520000000 ] - [ 0.000000000000000, -0.158654800000000, -0.813615921333333 ] dielectric_constant: - [ 3.456937080000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.450511170000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.612413670000000 ] 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: - [ 0.0065610392447671, 0.0075467055082749, 0.0000000000000000 ] - [ -0.0065610392447671, -0.0075467055082749, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_ids: [ 49, 50, 51 ] - atom: 2 pair_distance: 5.79284752 displacements: - [ 0.0065610392447671, 0.0075467055082749, 0.0000000000000000 ] - [ -0.0065610392447671, -0.0075467055082749, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_ids: [ 52, 53, 54 ] - atom: 3 pair_distance: 3.37119504 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 55, 56, 57, 58, 59, 60 ] - atom: 5 pair_distance: 3.31123306 displacements: - [ 0.0065610392447671, 0.0075467055082749, 0.0000000000000000 ] - [ -0.0065610392447671, -0.0075467055082749, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_ids: [ 61, 62, 63 ] - atom: 6 pair_distance: 6.67243185 displacements: - [ 0.0065610392447671, 0.0075467055082749, 0.0000000000000000 ] - [ -0.0065610392447671, -0.0075467055082749, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_ids: [ 64, 65, 66 ] - atom: 7 pair_distance: 4.12915556 displacements: - [ 0.0065610392447671, 0.0075467055082749, 0.0000000000000000 ] - [ -0.0065610392447671, -0.0075467055082749, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_ids: [ 67, 68, 69 ] - atom: 8 pair_distance: 7.11386027 displacements: - [ 0.0065610392447671, 0.0075467055082749, 0.0000000000000000 ] - [ -0.0065610392447671, -0.0075467055082749, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_ids: [ 70, 71, 72 ] - atom: 9 pair_distance: 5.33056110 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 73, 74, 75, 76, 77, 78 ] - atom: 11 pair_distance: 5.29284328 displacements: - [ 0.0065610392447671, 0.0075467055082749, 0.0000000000000000 ] - [ -0.0065610392447671, -0.0075467055082749, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_ids: [ 79, 80, 81 ] - atom: 12 pair_distance: 7.84673642 displacements: - [ 0.0065610392447671, 0.0075467055082749, 0.0000000000000000 ] - [ -0.0065610392447671, -0.0075467055082749, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_ids: [ 82, 83, 84 ] - atom: 13 pair_distance: 5.80974099 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 85, 86, 87, 88, 89, 90 ] - atom: 15 pair_distance: 3.31123306 displacements: - [ 0.0065610392447671, 0.0075467055082749, 0.0000000000000000 ] - [ -0.0065610392447671, -0.0075467055082749, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_ids: [ 91, 92, 93 ] - atom: 16 pair_distance: 6.67243185 displacements: - [ 0.0065610392447671, 0.0075467055082749, 0.0000000000000000 ] - [ -0.0065610392447671, -0.0075467055082749, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_ids: [ 94, 95, 96 ] - atom: 17 pair_distance: 3.37119504 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 97, 98, 99, 100, 101, 102 ] - atom: 19 pair_distance: 7.12762345 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 103, 104, 105, 106, 107, 108 ] - atom: 21 pair_distance: 5.29284328 displacements: - [ 0.0065610392447671, 0.0075467055082749, 0.0000000000000000 ] - [ -0.0065610392447671, -0.0075467055082749, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_ids: [ 109, 110, 111 ] - atom: 22 pair_distance: 7.84673642 displacements: - [ 0.0065610392447671, 0.0075467055082749, 0.0000000000000000 ] - [ -0.0065610392447671, -0.0075467055082749, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_ids: [ 112, 113, 114 ] - atom: 23 pair_distance: 5.33056110 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 25 pair_distance: 3.19474068 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 26 pair_distance: 3.93921624 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 27 pair_distance: 2.69807439 displacements: - 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atom: 101 pair_distance: 4.10024459 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16169, 16170, 16171, 16172, 16173, 16174 ] - atom: 102 pair_distance: 6.92539700 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16175, 16176, 16177, 16178, 16179, 16180 ] - atom: 103 pair_distance: 5.60241039 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16181, 16182, 16183, 16184, 16185, 16186 ] - atom: 104 pair_distance: 6.45799255 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16187, 16188, 16189, 16190, 16191, 16192 ] - atom: 105 pair_distance: 6.60457410 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16193, 16194, 16195, 16196, 16197, 16198 ] - atom: 106 pair_distance: 8.02812877 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16199, 16200, 16201, 16202, 16203, 16204 ] - atom: 107 pair_distance: 5.76503265 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16205, 16206, 16207, 16208, 16209, 16210 ] - atom: 108 pair_distance: 6.77954508 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16211, 16212, 16213, 16214, 16215, 16216 ] - atom: 109 pair_distance: 4.58838761 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16217, 16218, 16219, 16220, 16221, 16222 ] - atom: 110 pair_distance: 6.10025398 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16223, 16224, 16225, 16226, 16227, 16228 ] - atom: 111 pair_distance: 5.37415183 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16229, 16230, 16231, 16232, 16233, 16234 ] - atom: 112 pair_distance: 7.40141589 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16235, 16236, 16237, 16238, 16239, 16240 ] - atom: 113 pair_distance: 5.50190851 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16241, 16242, 16243, 16244, 16245, 16246 ] - atom: 114 pair_distance: 4.75535111 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16247, 16248, 16249, 16250, 16251, 16252 ] - atom: 115 pair_distance: 5.40938651 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16253, 16254, 16255, 16256, 16257, 16258 ] - atom: 116 pair_distance: 7.07756419 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16259, 16260, 16261, 16262, 16263, 16264 ] - atom: 117 pair_distance: 4.34472840 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16265, 16266, 16267, 16268, 16269, 16270 ] - atom: 118 pair_distance: 5.62168078 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16271, 16272, 16273, 16274, 16275, 16276 ] - atom: 119 pair_distance: 4.13838885 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16277, 16278, 16279, 16280, 16281, 16282 ] - atom: 120 pair_distance: 5.23879068 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16283, 16284, 16285, 16286, 16287, 16288 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_id: 34 paired_with: - 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atom: 3 pair_distance: 3.88372677 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16301, 16302, 16303, 16304, 16305, 16306 ] - atom: 4 pair_distance: 2.16058035 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16307, 16308, 16309, 16310, 16311, 16312 ] - atom: 5 pair_distance: 1.94066499 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16313, 16314, 16315, 16316, 16317, 16318 ] - atom: 6 pair_distance: 5.18729571 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16319, 16320, 16321, 16322, 16323, 16324 ] - atom: 7 pair_distance: 3.87240602 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16325, 16326, 16327, 16328, 16329, 16330 ] - atom: 8 pair_distance: 6.17554731 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16331, 16332, 16333, 16334, 16335, 16336 ] - atom: 9 pair_distance: 5.03584113 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16337, 16338, 16339, 16340, 16341, 16342 ] - atom: 10 pair_distance: 3.86580776 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16343, 16344, 16345, 16346, 16347, 16348 ] - atom: 11 pair_distance: 3.74733810 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16349, 16350, 16351, 16352, 16353, 16354 ] - atom: 12 pair_distance: 6.09790120 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16355, 16356, 16357, 16358, 16359, 16360 ] - atom: 13 pair_distance: 5.05511801 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16361, 16362, 16363, 16364, 16365, 16366 ] - atom: 14 pair_distance: 3.89088574 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16367, 16368, 16369, 16370, 16371, 16372 ] - atom: 15 pair_distance: 5.10880210 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16373, 16374, 16375, 16376, 16377, 16378 ] - atom: 16 pair_distance: 7.01724413 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16379, 16380, 16381, 16382, 16383, 16384 ] - atom: 17 pair_distance: 5.24405730 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16385, 16386, 16387, 16388, 16389, 16390 ] - atom: 18 pair_distance: 4.13338975 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16391, 16392, 16393, 16394, 16395, 16396 ] - atom: 19 pair_distance: 5.98586504 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16397, 16398, 16399, 16400, 16401, 16402 ] - atom: 20 pair_distance: 5.04136431 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16403, 16404, 16405, 16406, 16407, 16408 ] - atom: 21 pair_distance: 6.03127028 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16409, 16410, 16411, 16412, 16413, 16414 ] - atom: 22 pair_distance: 7.71479600 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16415, 16416, 16417, 16418, 16419, 16420 ] - atom: 23 pair_distance: 6.14625896 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16421, 16422, 16423, 16424, 16425, 16426 ] - atom: 24 pair_distance: 5.23080042 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16427, 16428, 16429, 16430, 16431, 16432 ] - atom: 25 pair_distance: 3.99025817 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16433, 16434, 16435, 16436, 16437, 16438 ] - atom: 26 pair_distance: 3.28907140 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16439, 16440, 16441, 16442, 16443, 16444 ] - atom: 27 pair_distance: 1.40896395 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16445, 16446, 16447, 16448, 16449, 16450 ] - atom: 28 pair_distance: 5.63160535 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16451, 16452, 16453, 16454, 16455, 16456 ] - atom: 29 pair_distance: 3.48878485 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16457, 16458, 16459, 16460, 16461, 16462 ] - atom: 30 pair_distance: 3.99986284 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 16463, 16464, 16465, 16466, 16467, 16468 ] - 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atom: 97 pair_distance: 6.58392672 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23425, 23426, 23427, 23428, 23429, 23430 ] - atom: 98 pair_distance: 4.79205885 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23431, 23432, 23433, 23434, 23435, 23436 ] - atom: 99 pair_distance: 3.73337531 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23437, 23438, 23439, 23440, 23441, 23442 ] - atom: 100 pair_distance: 5.20681386 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23443, 23444, 23445, 23446, 23447, 23448 ] - atom: 101 pair_distance: 4.28344899 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23449, 23450, 23451, 23452, 23453, 23454 ] - atom: 102 pair_distance: 5.82483640 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23455, 23456, 23457, 23458, 23459, 23460 ] - atom: 103 pair_distance: 6.06036354 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23461, 23462, 23463, 23464, 23465, 23466 ] - atom: 104 pair_distance: 5.16356551 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23467, 23468, 23469, 23470, 23471, 23472 ] - atom: 105 pair_distance: 5.37415183 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23473, 23474, 23475, 23476, 23477, 23478 ] - atom: 106 pair_distance: 7.40141589 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23479, 23480, 23481, 23482, 23483, 23484 ] - atom: 107 pair_distance: 5.50190851 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23485, 23486, 23487, 23488, 23489, 23490 ] - atom: 108 pair_distance: 4.75535111 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23491, 23492, 23493, 23494, 23495, 23496 ] - atom: 109 pair_distance: 5.60882791 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23497, 23498, 23499, 23500, 23501, 23502 ] - atom: 110 pair_distance: 7.87585262 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23503, 23504, 23505, 23506, 23507, 23508 ] - atom: 111 pair_distance: 6.94780767 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23509, 23510, 23511, 23512, 23513, 23514 ] - atom: 112 pair_distance: 7.33397693 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23515, 23516, 23517, 23518, 23519, 23520 ] - atom: 113 pair_distance: 7.18048552 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23521, 23522, 23523, 23524, 23525, 23526 ] - atom: 114 pair_distance: 4.84948205 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23527, 23528, 23529, 23530, 23531, 23532 ] - atom: 115 pair_distance: 5.37415183 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23533, 23534, 23535, 23536, 23537, 23538 ] - atom: 116 pair_distance: 7.40141589 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23539, 23540, 23541, 23542, 23543, 23544 ] - atom: 117 pair_distance: 5.50190851 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23545, 23546, 23547, 23548, 23549, 23550 ] - atom: 118 pair_distance: 4.75535111 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23551, 23552, 23553, 23554, 23555, 23556 ] - atom: 119 pair_distance: 6.06036354 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23557, 23558, 23559, 23560, 23561, 23562 ] - atom: 120 pair_distance: 5.16356551 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 23563, 23564, 23565, 23566, 23567, 23568 ]displacement_pair_info: number_of_singles: 48 number_of_pairs: 23520 duplicated_supercell_ids: # 0 means perfect supercell - [ 2369, 55 ] - [ 2729, 56 ] - [ 3089, 57 ] - [ 3809, 58 ] - [ 4529, 59 ] - [ 5249, 60 ] - [ 2370, 415 ] - [ 2730, 416 ] - [ 3090, 417 ] - [ 3810, 418 ] - [ 4530, 419 ] - [ 5250, 420 ] - [ 2371, 777 ] - [ 2731, 778 ] - [ 3091, 779 ] - [ 3811, 780 ] - [ 4531, 781 ] - [ 5251, 782 ] - [ 2372, 1177 ] - [ 2732, 1178 ] - [ 3092, 1179 ] - [ 3812, 1180 ] - [ 4532, 1181 ] - [ 5252, 1182 ] - [ 2373, 1577 ] - [ 2733, 1578 ] - [ 3093, 1579 ] - [ 3813, 1580 ] - [ 4533, 1581 ] - [ 5253, 1582 ] - [ 2374, 1977 ] - [ 2734, 1978 ] - [ 3094, 1979 ] - [ 3814, 1980 ] - [ 4534, 1981 ] - [ 5254, 1982 ] - [ 5969, 121 ] - [ 6377, 122 ] - [ 5970, 481 ] - [ 6378, 482 ] - [ 7219, 1651 ] - [ 7619, 1652 ] - [ 7220, 2051 ] - [ 7620, 2052 ] - [ 8017, 133 ] - [ 8425, 134 ] - [ 8833, 135 ] - [ 9241, 136 ] - [ 9649, 137 ] - [ 10369, 138 ] - [ 8018, 493 ] - [ 8426, 494 ] - [ 8834, 495 ] - [ 9242, 496 ] - [ 9650, 497 ] - [ 10370, 498 ] - [ 8019, 857 ] - [ 8427, 858 ] - [ 8835, 859 ] - [ 9243, 860 ] - [ 9651, 861 ] - [ 10371, 862 ] - [ 8020, 1257 ] - [ 8428, 1258 ] - [ 8836, 1259 ] - [ 9244, 1260 ] - [ 9652, 1261 ] - [ 10372, 1262 ] - [ 8021, 1657 ] - [ 8429, 1658 ] - [ 8837, 1659 ] - [ 9245, 1660 ] - [ 9653, 1661 ] - [ 10373, 1662 ] - [ 8022, 2057 ] - [ 8430, 2058 ] - [ 8838, 2059 ] - [ 9246, 2060 ] - [ 9654, 2061 ] - [ 10374, 2062 ] - [ 11089, 193 ] - [ 11809, 194 ] - [ 11090, 553 ] - [ 11810, 554 ] - [ 13331, 1731 ] - [ 13731, 1732 ] - [ 13332, 2131 ] - [ 13732, 2132 ] - [ 14129, 205 ] - [ 14849, 206 ] - [ 15569, 207 ] - [ 16289, 208 ] - [ 17009, 209 ] - [ 17729, 210 ] - [ 14130, 565 ] - [ 14850, 566 ] - [ 15570, 567 ] - [ 16290, 568 ] - [ 17010, 569 ] - [ 17730, 570 ] - [ 14131, 937 ] - [ 14851, 938 ] - [ 15571, 939 ] - [ 16291, 940 ] - [ 17011, 941 ] - [ 17731, 942 ] - [ 14132, 1337 ] - [ 14852, 1338 ] - [ 15572, 1339 ] - [ 16292, 1340 ] - [ 17012, 1341 ] - [ 17732, 1342 ] - [ 14133, 1737 ] - [ 14853, 1738 ] - [ 15573, 1739 ] - [ 16293, 1740 ] - [ 17013, 1741 ] - [ 17733, 1742 ] - [ 14134, 2137 ] - [ 14854, 2138 ] - [ 15574, 2139 ] - [ 16294, 2140 ] - [ 17014, 2141 ] - [ 17734, 2142 ] - [ 18449, 229 ] - [ 18857, 230 ] - [ 18450, 589 ] - [ 18858, 590 ] - [ 19699, 1763 ] - [ 20099, 1764 ] - [ 19700, 2163 ] - [ 20100, 2164 ] - [ 20497, 241 ] - [ 20905, 242 ] - [ 21313, 243 ] - [ 21721, 244 ] - [ 22129, 245 ] - [ 22849, 246 ] - [ 20498, 601 ] - [ 20906, 602 ] - [ 21314, 603 ] - [ 21722, 604 ] - [ 22130, 605 ] - [ 22850, 606 ] - [ 20499, 969 ] - [ 20907, 970 ] - [ 21315, 971 ] - [ 21723, 972 ] - [ 22131, 973 ] - [ 22851, 974 ] - [ 20500, 1369 ] - [ 20908, 1370 ] - [ 21316, 1371 ] - [ 21724, 1372 ] - [ 22132, 1373 ] - [ 22852, 1374 ] - [ 20501, 1769 ] - [ 20909, 1770 ] - [ 21317, 1771 ] - [ 21725, 1772 ] - [ 22133, 1773 ] - [ 22853, 1774 ] - [ 20502, 2169 ] - [ 20910, 2170 ] - [ 21318, 2171 ] - [ 21726, 2172 ] - [ 22134, 2173 ] - [ 22854, 2174 ] - [ 5981, 2441 ] - [ 6389, 2442 ] - [ 6793, 2443 ] - [ 7009, 2444 ] - [ 7225, 2445 ] - [ 7625, 2446 ] - [ 5982, 2801 ] - [ 6390, 2802 ] - [ 6794, 2803 ] - [ 7010, 2804 ] - [ 7226, 2805 ] - [ 7626, 2806 ] - [ 5983, 3233 ] - [ 6391, 3234 ] - [ 6795, 3235 ] - [ 7011, 3236 ] - [ 7227, 3237 ] - [ 7627, 3238 ] - [ 5984, 3953 ] - [ 6392, 3954 ] - [ 6796, 3955 ] - [ 7012, 3956 ] - [ 7228, 3957 ] - [ 7628, 3958 ] - [ 5985, 4673 ] - [ 6393, 4674 ] - [ 6797, 4675 ] - [ 7013, 4676 ] - [ 7229, 4677 ] - [ 7629, 4678 ] - [ 5986, 5393 ] - [ 6394, 5394 ] - [ 6798, 5395 ] - [ 7014, 5396 ] - [ 7230, 5397 ] - [ 7630, 5398 ] - [ 8029, 2453 ] - [ 8437, 2454 ] - [ 8845, 2455 ] - [ 9253, 2456 ] - [ 9661, 2457 ] - [ 10381, 2458 ] - [ 8030, 2813 ] - [ 8438, 2814 ] - [ 8846, 2815 ] - [ 9254, 2816 ] - [ 9662, 2817 ] - [ 10382, 2818 ] - [ 8031, 3245 ] - [ 8439, 3246 ] - [ 8847, 3247 ] - [ 9255, 3248 ] - [ 9663, 3249 ] - [ 10383, 3250 ] - [ 8032, 3965 ] - [ 8440, 3966 ] - [ 8848, 3967 ] - [ 9256, 3968 ] - [ 9664, 3969 ] - [ 10384, 3970 ] - [ 8033, 4685 ] - [ 8441, 4686 ] - [ 8849, 4687 ] - [ 9257, 4688 ] - [ 9665, 4689 ] - [ 10385, 4690 ] - [ 8034, 5405 ] - [ 8442, 5406 ] - [ 8850, 5407 ] - [ 9258, 5408 ] - [ 9666, 5409 ] - [ 10386, 5410 ] - [ 11101, 2513 ] - [ 11821, 2514 ] - [ 12537, 2515 ] - [ 12937, 2516 ] - [ 13337, 2517 ] - [ 13737, 2518 ] - [ 11102, 2873 ] - [ 11822, 2874 ] - [ 12538, 2875 ] - [ 12938, 2876 ] - [ 13338, 2877 ] - [ 13738, 2878 ] - [ 11103, 3377 ] - [ 11823, 3378 ] - [ 12539, 3379 ] - [ 12939, 3380 ] - [ 13339, 3381 ] - [ 13739, 3382 ] - [ 11104, 4097 ] - [ 11824, 4098 ] - [ 12540, 4099 ] - [ 12940, 4100 ] - [ 13340, 4101 ] - [ 13740, 4102 ] - [ 11105, 4817 ] - [ 11825, 4818 ] - [ 12541, 4819 ] - [ 12941, 4820 ] - [ 13341, 4821 ] - [ 13741, 4822 ] - [ 11106, 5537 ] - [ 11826, 5538 ] - [ 12542, 5539 ] - [ 12942, 5540 ] - [ 13342, 5541 ] - [ 13742, 5542 ] - [ 14141, 2525 ] - [ 14861, 2526 ] - [ 15581, 2527 ] - [ 16301, 2528 ] - [ 17021, 2529 ] - [ 17741, 2530 ] - [ 14142, 2885 ] - [ 14862, 2886 ] - [ 15582, 2887 ] - [ 16302, 2888 ] - [ 17022, 2889 ] - [ 17742, 2890 ] - [ 14143, 3389 ] - [ 14863, 3390 ] - [ 15583, 3391 ] - [ 16303, 3392 ] - [ 17023, 3393 ] - [ 17743, 3394 ] - [ 14144, 4109 ] - [ 14864, 4110 ] - [ 15584, 4111 ] - [ 16304, 4112 ] - [ 17024, 4113 ] - [ 17744, 4114 ] - [ 14145, 4829 ] - [ 14865, 4830 ] - [ 15585, 4831 ] - [ 16305, 4832 ] - [ 17025, 4833 ] - [ 17745, 4834 ] - [ 14146, 5549 ] - [ 14866, 5550 ] - [ 15586, 5551 ] - [ 16306, 5552 ] - [ 17026, 5553 ] - [ 17746, 5554 ] - [ 18461, 2549 ] - [ 18869, 2550 ] - [ 19273, 2551 ] - [ 19489, 2552 ] - [ 19705, 2553 ] - [ 20105, 2554 ] - [ 18462, 2909 ] - [ 18870, 2910 ] - [ 19274, 2911 ] - [ 19490, 2912 ] - [ 19706, 2913 ] - [ 20106, 2914 ] - [ 18463, 3413 ] - [ 18871, 3414 ] - [ 19275, 3415 ] - [ 19491, 3416 ] - [ 19707, 3417 ] - [ 20107, 3418 ] - [ 18464, 4133 ] - [ 18872, 4134 ] - [ 19276, 4135 ] - [ 19492, 4136 ] - [ 19708, 4137 ] - [ 20108, 4138 ] - [ 18465, 4853 ] - [ 18873, 4854 ] - [ 19277, 4855 ] - [ 19493, 4856 ] - [ 19709, 4857 ] - [ 20109, 4858 ] - [ 18466, 5573 ] - [ 18874, 5574 ] - [ 19278, 5575 ] - [ 19494, 5576 ] - [ 19710, 5577 ] - [ 20110, 5578 ] - [ 20509, 2561 ] - [ 20917, 2562 ] - [ 21325, 2563 ] - [ 21733, 2564 ] - [ 22141, 2565 ] - [ 22861, 2566 ] - [ 20510, 2921 ] - [ 20918, 2922 ] - [ 21326, 2923 ] - [ 21734, 2924 ] - [ 22142, 2925 ] - [ 22862, 2926 ] - [ 20511, 3425 ] - [ 20919, 3426 ] - [ 21327, 3427 ] - [ 21735, 3428 ] - [ 22143, 3429 ] - [ 22863, 3430 ] - [ 20512, 4145 ] - [ 20920, 4146 ] - [ 21328, 4147 ] - [ 21736, 4148 ] - [ 22144, 4149 ] - [ 22864, 4150 ] - [ 20513, 4865 ] - [ 20921, 4866 ] - [ 21329, 4867 ] - [ 21737, 4868 ] - [ 22145, 4869 ] - [ 22865, 4870 ] - [ 20514, 5585 ] - [ 20922, 5586 ] - [ 21330, 5587 ] - [ 21738, 5588 ] - [ 22146, 5589 ] - [ 22866, 5590 ] - [ 8907, 6831 ] - [ 9315, 6832 ] - [ 8908, 7047 ] - [ 9316, 7048 ] - [ 9797, 7309 ] - [ 10517, 7310 ] - [ 9798, 7709 ] - [ 10518, 7710 ] - [ 11233, 6137 ] - [ 11953, 6138 ] - [ 11234, 6545 ] - [ 11954, 6546 ] - [ 13411, 7379 ] - [ 13811, 7380 ] - [ 13412, 7779 ] - [ 13812, 7780 ] - [ 14273, 6149 ] - [ 14993, 6150 ] - [ 15713, 6151 ] - [ 16433, 6152 ] - [ 17153, 6153 ] - [ 17873, 6154 ] - [ 14274, 6557 ] - [ 14994, 6558 ] - [ 15714, 6559 ] - [ 16434, 6560 ] - [ 17154, 6561 ] - [ 17874, 6562 ] - [ 14275, 6881 ] - [ 14995, 6882 ] - [ 15715, 6883 ] - [ 16435, 6884 ] - [ 17155, 6885 ] - [ 17875, 6886 ] - [ 14276, 7097 ] - [ 14996, 7098 ] - [ 15716, 7099 ] - [ 16436, 7100 ] - [ 17156, 7101 ] - [ 17876, 7102 ] - [ 14277, 7385 ] - [ 14997, 7386 ] - [ 15717, 7387 ] - [ 16437, 7388 ] - [ 17157, 7389 ] - [ 17877, 7390 ] - [ 14278, 7785 ] - [ 14998, 7786 ] - [ 15718, 7787 ] - [ 16438, 7788 ] - [ 17158, 7789 ] - [ 17878, 7790 ] - [ 19779, 7411 ] - [ 20179, 7412 ] - [ 19780, 7811 ] - [ 20180, 7812 ] - [ 21387, 6911 ] - [ 21795, 6912 ] - [ 21388, 7127 ] - [ 21796, 7128 ] - [ 22277, 7421 ] - [ 22997, 7422 ] - [ 22278, 7821 ] - [ 22998, 7822 ] - [ 11245, 8185 ] - [ 11965, 8186 ] - [ 12617, 8187 ] - [ 13017, 8188 ] - [ 13417, 8189 ] - [ 13817, 8190 ] - [ 11246, 8593 ] - [ 11966, 8594 ] - [ 12618, 8595 ] - [ 13018, 8596 ] - [ 13418, 8597 ] - [ 13818, 8598 ] - [ 11247, 9001 ] - [ 11967, 9002 ] - [ 12619, 9003 ] - [ 13019, 9004 ] - [ 13419, 9005 ] - [ 13819, 9006 ] - [ 11248, 9409 ] - [ 11968, 9410 ] - [ 12620, 9411 ] - [ 13020, 9412 ] - [ 13420, 9413 ] - [ 13820, 9414 ] - [ 11249, 9937 ] - [ 11969, 9938 ] - [ 12621, 9939 ] - [ 13021, 9940 ] - [ 13421, 9941 ] - [ 13821, 9942 ] - [ 11250, 10657 ] - [ 11970, 10658 ] - [ 12622, 10659 ] - [ 13022, 10660 ] - [ 13422, 10661 ] - [ 13822, 10662 ] - [ 14285, 8197 ] - [ 15005, 8198 ] - [ 15725, 8199 ] - [ 16445, 8200 ] - [ 17165, 8201 ] - [ 17885, 8202 ] - [ 14286, 8605 ] - [ 15006, 8606 ] - [ 15726, 8607 ] - [ 16446, 8608 ] - [ 17166, 8609 ] - [ 17886, 8610 ] - [ 14287, 9013 ] - [ 15007, 9014 ] - [ 15727, 9015 ] - [ 16447, 9016 ] - [ 17167, 9017 ] - [ 17887, 9018 ] - [ 14288, 9421 ] - [ 15008, 9422 ] - [ 15728, 9423 ] - [ 16448, 9424 ] - [ 17168, 9425 ] - [ 17888, 9426 ] - [ 14289, 9949 ] - [ 15009, 9950 ] - [ 15729, 9951 ] - [ 16449, 9952 ] - [ 17169, 9953 ] - [ 17889, 9954 ] - [ 14290, 10669 ] - [ 15010, 10670 ] - [ 15730, 10671 ] - [ 16450, 10672 ] - [ 17170, 10673 ] - [ 17890, 10674 ] - [ 19311, 9039 ] - [ 19527, 9040 ] - [ 19312, 9447 ] - [ 19528, 9448 ] - [ 19789, 9977 ] - [ 20189, 9978 ] - [ 19790, 10697 ] - [ 20190, 10698 ] - [ 21395, 9047 ] - [ 21803, 9048 ] - [ 21396, 9455 ] - [ 21804, 9456 ] - [ 22289, 9989 ] - [ 23009, 9990 ] - [ 22290, 10709 ] - [ 23010, 10710 ] - [ 14417, 11389 ] - [ 15137, 11390 ] - [ 15857, 11391 ] - [ 16577, 11392 ] - [ 17297, 11393 ] - [ 18017, 11394 ] - [ 14418, 12109 ] - [ 15138, 12110 ] - [ 15858, 12111 ] - [ 16578, 12112 ] - [ 17298, 12113 ] - [ 18018, 12114 ] - [ 14419, 12697 ] - [ 15139, 12698 ] - [ 15859, 12699 ] - [ 16579, 12700 ] - [ 17299, 12701 ] - [ 18019, 12702 ] - [ 14420, 13097 ] - [ 15140, 13098 ] - [ 15860, 13099 ] - [ 16580, 13100 ] - [ 17300, 13101 ] - [ 18020, 13102 ] - [ 14421, 13497 ] - [ 15141, 13498 ] - [ 15861, 13499 ] - [ 16581, 13500 ] - [ 17301, 13501 ] - [ 18021, 13502 ] - [ 14422, 13897 ] - [ 15142, 13898 ] - [ 15862, 13899 ] - [ 16582, 13900 ] - [ 17302, 13901 ] - 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