# Fileset [phono3py_mlp_eval_fc3_disp.yaml.xz](https://mdr.nims.go.jp/filesets/6c82ce61-a995-4bdb-9ec2-99da00b02889/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 Cs2AgAuCl6 / I4/mmm (139) / materials id 567776](https://mdr.nims.go.jp/datasets/408e5b28-ff81-466c-b212-158923be1182) ## Fulltext phono3py: version: "3.21.0" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "I4/mmm" number: 139 Hall_symbol: "-I 4 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -3.591192090000000, 3.591192090000000, 5.496578130000000 ] # a - [ 3.591192090000000, -3.591192090000000, 5.496578130000000 ] # b - [ 3.591192090000000, 3.591192090000000, -5.496578130000000 ] # c points: - symbol: Cs # 1 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 132.905452 - symbol: Cs # 2 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 132.905452 - symbol: Ag # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 107.868200 - symbol: Au # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 196.966569 - symbol: Cl # 5 coordinates: [ 0.284620448897261, 0.284620448897261, 0.000000000000000 ] mass: 35.453000 - symbol: Cl # 6 coordinates: [ 0.770577991886531, 0.229422008113469, 0.000000000000000 ] mass: 35.453000 - symbol: Cl # 7 coordinates: [ 0.229422008113469, 0.770577991886531, 0.000000000000000 ] mass: 35.453000 - symbol: Cl # 8 coordinates: [ 0.770577991886531, 0.770577991886531, 0.541155983773062 ] mass: 35.453000 - symbol: Cl # 9 coordinates: [ 0.715379551102739, 0.715379551102739, 0.000000000000000 ] mass: 35.453000 - symbol: Cl # 10 coordinates: [ 0.229422008113469, 0.229422008113469, 0.458844016226938 ] mass: 35.453000 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.139229533667190, 0.090965685954872 ] # a* - [ 0.139229533667190, 0.000000000000000, 0.090965685954872 ] # b* - [ 0.139229533667190, 0.139229533667190, 0.000000000000000 ] # c*unit_cell: lattice: - [ 7.182384180000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.182384180000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.993156259999999 ] # c points: - symbol: Cs # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 2 - symbol: Cs # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 4 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 2 - symbol: Ag # 5 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 107.868200 reduced_to: 5 - symbol: Ag # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 107.868200 reduced_to: 5 - symbol: Au # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 196.966569 reduced_to: 7 - symbol: Au # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 196.966569 reduced_to: 7 - symbol: Cl # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.284620448897261 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 10 coordinates: [ 0.229422008113469, 0.770577991886531, 0.000000000000000 ] mass: 35.453000 reduced_to: 10 - symbol: Cl # 11 coordinates: [ 0.770577991886531, 0.229422008113469, 0.000000000000000 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 12 coordinates: [ 0.770577991886531, 0.770577991886531, 0.000000000000000 ] mass: 35.453000 reduced_to: 12 - symbol: Cl # 13 coordinates: [ 0.500000000000000, 0.500000000000000, 0.215379551102739 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 14 coordinates: [ 0.229422008113469, 0.229422008113469, 0.000000000000000 ] mass: 35.453000 reduced_to: 14 - symbol: Cl # 15 coordinates: [ 0.500000000000000, 0.500000000000000, 0.784620448897261 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 16 coordinates: [ 0.729422008113469, 0.270577991886531, 0.500000000000000 ] mass: 35.453000 reduced_to: 10 - symbol: Cl # 17 coordinates: [ 0.270577991886531, 0.729422008113469, 0.500000000000000 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 18 coordinates: [ 0.270577991886531, 0.270577991886531, 0.500000000000000 ] mass: 35.453000 reduced_to: 12 - symbol: Cl # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.715379551102739 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 20 coordinates: [ 0.729422008113469, 0.729422008113469, 0.500000000000000 ] mass: 35.453000 reduced_to: 14supercell: lattice: - [ 14.364768359999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.364768359999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.993156259999999 ] # c points: - symbol: Cs # 1 coordinates: [ 0.000000000000000, 0.250000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.500000000000000, 0.250000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 3 coordinates: [ 0.000000000000000, 0.750000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 4 coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 5 coordinates: [ 0.250000000000000, 0.000000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 6 coordinates: [ 0.750000000000000, 0.000000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 7 coordinates: [ 0.250000000000000, 0.500000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 8 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 9 coordinates: [ 0.250000000000000, 0.000000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 10 coordinates: [ 0.750000000000000, 0.000000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 11 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 12 coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 13 coordinates: [ 0.000000000000000, 0.250000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 14 coordinates: [ 0.500000000000000, 0.250000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 15 coordinates: [ 0.000000000000000, 0.750000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 16 coordinates: [ 0.500000000000000, 0.750000000000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Ag # 17 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 18 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 19 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 20 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 22 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 24 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 107.868200 reduced_to: 17 - symbol: Au # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 27 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 28 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 29 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 30 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 31 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Au # 32 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 196.966569 reduced_to: 25 - symbol: Cl # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.284620448897261 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 34 coordinates: [ 0.500000000000000, 0.000000000000000, 0.284620448897261 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 35 coordinates: [ 0.000000000000000, 0.500000000000000, 0.284620448897261 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 36 coordinates: [ 0.500000000000000, 0.500000000000000, 0.284620448897261 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 37 coordinates: [ 0.114711004056734, 0.385288995943265, 0.000000000000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 38 coordinates: [ 0.614711004056735, 0.385288995943265, 0.000000000000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 39 coordinates: [ 0.114711004056734, 0.885288995943265, 0.000000000000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 40 coordinates: [ 0.614711004056735, 0.885288995943265, 0.000000000000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 41 coordinates: [ 0.385288995943265, 0.114711004056734, 0.000000000000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 42 coordinates: [ 0.885288995943265, 0.114711004056734, 0.000000000000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 43 coordinates: [ 0.385288995943265, 0.614711004056735, 0.000000000000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 44 coordinates: [ 0.885288995943265, 0.614711004056735, 0.000000000000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 45 coordinates: [ 0.385288995943265, 0.385288995943265, 0.000000000000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.885288995943265, 0.385288995943265, 0.000000000000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 47 coordinates: [ 0.385288995943265, 0.885288995943265, 0.000000000000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 48 coordinates: [ 0.885288995943265, 0.885288995943265, 0.000000000000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 49 coordinates: [ 0.250000000000000, 0.250000000000000, 0.215379551102739 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 50 coordinates: [ 0.750000000000000, 0.250000000000000, 0.215379551102739 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 51 coordinates: [ 0.250000000000000, 0.750000000000000, 0.215379551102739 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 52 coordinates: [ 0.750000000000000, 0.750000000000000, 0.215379551102739 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 53 coordinates: [ 0.114711004056734, 0.114711004056734, 0.000000000000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 54 coordinates: [ 0.614711004056735, 0.114711004056734, 0.000000000000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 55 coordinates: [ 0.114711004056734, 0.614711004056735, 0.000000000000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 56 coordinates: [ 0.614711004056735, 0.614711004056735, 0.000000000000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 57 coordinates: [ 0.250000000000000, 0.250000000000000, 0.784620448897261 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 58 coordinates: [ 0.750000000000000, 0.250000000000000, 0.784620448897261 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 59 coordinates: [ 0.250000000000000, 0.750000000000000, 0.784620448897261 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 60 coordinates: [ 0.750000000000000, 0.750000000000000, 0.784620448897261 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 61 coordinates: [ 0.364711004056735, 0.135288995943265, 0.500000000000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 62 coordinates: [ 0.864711004056735, 0.135288995943265, 0.500000000000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 63 coordinates: [ 0.364711004056735, 0.635288995943265, 0.500000000000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 64 coordinates: [ 0.864711004056735, 0.635288995943265, 0.500000000000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 65 coordinates: [ 0.135288995943265, 0.364711004056735, 0.500000000000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 66 coordinates: [ 0.635288995943265, 0.364711004056735, 0.500000000000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 67 coordinates: [ 0.135288995943265, 0.864711004056735, 0.500000000000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 68 coordinates: [ 0.635288995943265, 0.864711004056735, 0.500000000000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 69 coordinates: [ 0.135288995943265, 0.135288995943265, 0.500000000000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 70 coordinates: [ 0.635288995943265, 0.135288995943265, 0.500000000000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 71 coordinates: [ 0.135288995943265, 0.635288995943265, 0.500000000000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 72 coordinates: [ 0.635288995943265, 0.635288995943265, 0.500000000000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.715379551102739 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.715379551102739 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.715379551102739 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 76 coordinates: [ 0.500000000000000, 0.500000000000000, 0.715379551102739 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 77 coordinates: [ 0.364711004056735, 0.364711004056735, 0.500000000000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 78 coordinates: [ 0.864711004056735, 0.364711004056735, 0.500000000000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 79 coordinates: [ 0.364711004056735, 0.864711004056735, 0.500000000000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 80 coordinates: [ 0.864711004056735, 0.864711004056735, 0.500000000000000 ] mass: 35.453000 reduced_to: 53nac: born_effective_charge: - # 1 (Cs) - [ 1.399414667999999, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.399414667999999, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.353662580999999 ] - # 2 (Cs) - [ 1.399414667999999, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.399414667999999, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.353662580999999 ] - # 3 (Ag) - [ -0.628241902000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.628241902000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.537277851000000 ] - # 4 (Au) - [ 2.667946758000002, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.667946758000002, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.816080081000000 ] - # 5 (Cl) - [ -1.478140892000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.478140892000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.516536029000000 ] - # 6 (Cl) - [ -0.470563102000000, 0.486903070000000, 0.000000000000000 ] - [ 0.486903070000000, -0.470563102000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.506902759000000 ] - # 7 (Cl) - [ -0.470563102000000, 0.486903070000000, 0.000000000000000 ] - [ 0.486903070000000, -0.470563102000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.506902759000000 ] - # 8 (Cl) - [ -0.470563102000000, -0.486903070000000, 0.000000000000000 ] - [ -0.486903070000000, -0.470563102000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.506902759000000 ] - # 9 (Cl) - [ -1.478140892000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.478140892000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.516536029000000 ] - # 10 (Cl) - [ -0.470563102000000, -0.486903070000000, 0.000000000000000 ] - [ -0.486903070000000, -0.470563102000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.506902759000000 ] dielectric_constant: - [ 13.651309410000003, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 13.651309410000003, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.864125540000002 ] 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: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 21, 22, 23, 24 ] - atom: 2 pair_distance: 7.18238418 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 25, 26, 27, 28 ] - atom: 3 pair_distance: 7.18238418 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 29, 30, 31, 32 ] - atom: 4 pair_distance: 10.15742512 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 33, 34, 35, 36 ] - atom: 5 pair_distance: 5.07871256 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 37, 38, 39, 40, 41, 42 ] - atom: 6 pair_distance: 5.07871256 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 43, 44, 45, 46, 47, 48 ] - atom: 9 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 49, 50, 51, 52, 53, 54 ] - atom: 10 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 13 pair_distance: 5.49657813 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 61, 62, 63, 64 ] - atom: 14 pair_distance: 9.04428071 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 65, 66, 67, 68 ] - atom: 15 pair_distance: 9.04428071 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 69, 70, 71, 72 ] - atom: 16 pair_distance: 11.54927081 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 73, 74, 75, 76 ] - atom: 17 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 77, 78, 79, 80 ] - atom: 18 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 81, 82, 83, 84 ] - atom: 19 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 85, 86, 87, 88 ] - atom: 20 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 89, 90, 91, 92 ] - atom: 21 pair_distance: 4.52214036 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 93, 94, 95, 96, 97, 98 ] - atom: 22 pair_distance: 8.48742575 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 99, 100, 101, 102, 103, 104 ] - atom: 25 pair_distance: 4.52214036 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 105, 106, 107, 108, 109, 110 ] - atom: 26 pair_distance: 8.48742575 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 111, 112, 113, 114, 115, 116 ] - atom: 29 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 117, 118, 119, 120 ] - atom: 30 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 121, 122, 123, 124 ] - atom: 31 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 125, 126, 127, 128 ] - atom: 32 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 129, 130, 131, 132 ] - atom: 33 pair_distance: 3.61130279 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 34 pair_distance: 8.03916354 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 37 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 38 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 39 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 40 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 41 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 42 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 43 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 44 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 49 pair_distance: 3.61130279 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 193, 194, 195, 196 ] - atom: 50 pair_distance: 3.61130279 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 197, 198, 199, 200 ] - atom: 51 pair_distance: 8.03916354 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 201, 202, 203, 204 ] - atom: 52 pair_distance: 8.03916354 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 205, 206, 207, 208 ] - atom: 57 pair_distance: 6.25060122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 209, 210, 211, 212 ] - atom: 58 pair_distance: 6.25060122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 213, 214, 215, 216 ] - atom: 59 pair_distance: 9.52137900 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 217, 218, 219, 220 ] - atom: 60 pair_distance: 9.52137900 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 221, 222, 223, 224 ] - atom: 61 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 225, 226, 227, 228, 229, 230 ] - atom: 62 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 231, 232, 233, 234, 235, 236 ] - atom: 63 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 237, 238, 239, 240, 241, 242 ] - atom: 64 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 243, 244, 245, 246, 247, 248 ] - atom: 65 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 249, 250, 251, 252, 253, 254 ] - atom: 66 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 255, 256, 257, 258, 259, 260 ] - atom: 67 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 261, 262, 263, 264, 265, 266 ] - atom: 68 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 267, 268, 269, 270, 271, 272 ] - atom: 73 pair_distance: 6.25060122 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 273, 274, 275, 276, 277, 278 ] - atom: 74 pair_distance: 9.52137900 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 279, 280, 281, 282, 283, 284 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 2 paired_with: - atom: 1 pair_distance: 0.00000000 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 285, 286, 287, 288 ] - atom: 2 pair_distance: 7.18238418 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 289, 290, 291, 292 ] - atom: 3 pair_distance: 7.18238418 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 293, 294, 295, 296 ] - atom: 4 pair_distance: 10.15742512 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 297, 298, 299, 300 ] - atom: 5 pair_distance: 5.07871256 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 6 pair_distance: 5.07871256 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 9 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 10 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 13 pair_distance: 5.49657813 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 325, 326, 327, 328 ] - atom: 14 pair_distance: 9.04428071 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 329, 330, 331, 332 ] - atom: 15 pair_distance: 9.04428071 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 333, 334, 335, 336 ] - atom: 16 pair_distance: 11.54927081 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 337, 338, 339, 340 ] - atom: 17 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 341, 342, 343, 344 ] - atom: 18 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 345, 346, 347, 348 ] - atom: 19 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 349, 350, 351, 352 ] - atom: 20 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 353, 354, 355, 356 ] - atom: 21 pair_distance: 4.52214036 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 357, 358, 359, 360, 361, 362 ] - atom: 22 pair_distance: 8.48742575 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 363, 364, 365, 366, 367, 368 ] - atom: 25 pair_distance: 4.52214036 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 369, 370, 371, 372, 373, 374 ] - atom: 26 pair_distance: 8.48742575 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 375, 376, 377, 378, 379, 380 ] - atom: 29 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 381, 382, 383, 384 ] - atom: 30 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 385, 386, 387, 388 ] - atom: 31 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 389, 390, 391, 392 ] - atom: 32 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 393, 394, 395, 396 ] - atom: 33 pair_distance: 3.61130279 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 34 pair_distance: 8.03916354 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 37 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 38 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 415, 416, 417, 418, 419, 420 ] - atom: 39 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 421, 422, 423, 424, 425, 426 ] - atom: 40 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 427, 428, 429, 430, 431, 432 ] - atom: 41 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 433, 434, 435, 436, 437, 438 ] - atom: 42 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 439, 440, 441, 442, 443, 444 ] - atom: 43 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 445, 446, 447, 448, 449, 450 ] - atom: 44 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 451, 452, 453, 454, 455, 456 ] - atom: 49 pair_distance: 3.61130279 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 457, 458, 459, 460 ] - atom: 50 pair_distance: 3.61130279 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 461, 462, 463, 464 ] - atom: 51 pair_distance: 8.03916354 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 465, 466, 467, 468 ] - atom: 52 pair_distance: 8.03916354 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 469, 470, 471, 472 ] - atom: 57 pair_distance: 6.25060122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 473, 474, 475, 476 ] - atom: 58 pair_distance: 6.25060122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 477, 478, 479, 480 ] - atom: 59 pair_distance: 9.52137900 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 481, 482, 483, 484 ] - atom: 60 pair_distance: 9.52137900 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 485, 486, 487, 488 ] - atom: 61 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 489, 490, 491, 492, 493, 494 ] - atom: 62 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 495, 496, 497, 498, 499, 500 ] - atom: 63 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 501, 502, 503, 504, 505, 506 ] - atom: 64 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 507, 508, 509, 510, 511, 512 ] - atom: 65 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 513, 514, 515, 516, 517, 518 ] - atom: 66 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 519, 520, 521, 522, 523, 524 ] - atom: 67 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 525, 526, 527, 528, 529, 530 ] - atom: 68 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 531, 532, 533, 534, 535, 536 ] - atom: 73 pair_distance: 6.25060122 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 537, 538, 539, 540, 541, 542 ] - atom: 74 pair_distance: 9.52137900 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 543, 544, 545, 546, 547, 548 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_id: 3 paired_with: - atom: 1 pair_distance: 0.00000000 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 549, 550 ] - atom: 2 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 551, 552 ] - atom: 3 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 553, 554 ] - atom: 4 pair_distance: 10.15742512 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 555, 556 ] - atom: 5 pair_distance: 5.07871256 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 557, 558, 559, 560, 561, 562 ] - atom: 9 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 563, 564, 565, 566, 567, 568 ] - atom: 13 pair_distance: 5.49657813 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 569, 570 ] - atom: 14 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 571, 572 ] - atom: 15 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 573, 574 ] - atom: 16 pair_distance: 11.54927081 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 575, 576 ] - atom: 17 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 577, 578, 579, 580 ] - atom: 19 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 581, 582, 583, 584 ] - atom: 21 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 585, 586, 587, 588 ] - atom: 22 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 589, 590, 591, 592 ] - atom: 25 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 593, 594, 595, 596 ] - atom: 26 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 597, 598, 599, 600 ] - atom: 29 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 601, 602, 603, 604 ] - atom: 31 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 605, 606, 607, 608 ] - atom: 33 pair_distance: 3.61130279 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 609, 610, 611, 612 ] - atom: 34 pair_distance: 8.03916354 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 613, 614, 615, 616 ] - atom: 37 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 617, 618, 619, 620, 621, 622 ] - atom: 38 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 623, 624, 625, 626, 627, 628 ] - atom: 39 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 629, 630, 631, 632, 633, 634 ] - atom: 40 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 635, 636, 637, 638, 639, 640 ] - atom: 49 pair_distance: 3.61130279 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 641, 642, 643, 644 ] - atom: 51 pair_distance: 8.03916354 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 645, 646, 647, 648 ] - atom: 57 pair_distance: 6.25060122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 649, 650, 651, 652 ] - atom: 59 pair_distance: 9.52137900 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 653, 654, 655, 656 ] - atom: 61 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 657, 658, 659, 660, 661, 662 ] - atom: 62 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 663, 664, 665, 666, 667, 668 ] - atom: 63 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 669, 670, 671, 672, 673, 674 ] - atom: 64 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 675, 676, 677, 678, 679, 680 ] - atom: 73 pair_distance: 6.25060122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 681, 682, 683, 684 ] - atom: 74 pair_distance: 9.52137900 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 685, 686, 687, 688 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_id: 4 paired_with: - atom: 1 pair_distance: 0.00000000 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 689, 690 ] - atom: 2 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 691, 692 ] - atom: 3 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 693, 694 ] - atom: 4 pair_distance: 10.15742512 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 695, 696 ] - atom: 5 pair_distance: 5.07871256 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 9 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 13 pair_distance: 5.49657813 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 709, 710 ] - atom: 14 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 711, 712 ] - atom: 15 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 713, 714 ] - atom: 16 pair_distance: 11.54927081 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 715, 716 ] - atom: 17 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 717, 718, 719, 720 ] - atom: 19 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 721, 722, 723, 724 ] - atom: 21 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 725, 726, 727, 728 ] - atom: 22 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 729, 730, 731, 732 ] - atom: 25 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 733, 734, 735, 736 ] - atom: 26 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 737, 738, 739, 740 ] - atom: 29 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 741, 742, 743, 744 ] - atom: 31 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 745, 746, 747, 748 ] - atom: 33 pair_distance: 3.61130279 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 749, 750, 751, 752 ] - atom: 34 pair_distance: 8.03916354 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 753, 754, 755, 756 ] - atom: 37 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 757, 758, 759, 760, 761, 762 ] - atom: 38 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 763, 764, 765, 766, 767, 768 ] - atom: 39 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 769, 770, 771, 772, 773, 774 ] - atom: 40 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 49 pair_distance: 3.61130279 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 781, 782, 783, 784 ] - atom: 51 pair_distance: 8.03916354 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 785, 786, 787, 788 ] - atom: 57 pair_distance: 6.25060122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 789, 790, 791, 792 ] - atom: 59 pair_distance: 9.52137900 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 793, 794, 795, 796 ] - atom: 61 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 797, 798, 799, 800, 801, 802 ] - atom: 62 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 803, 804, 805, 806, 807, 808 ] - atom: 63 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 809, 810, 811, 812, 813, 814 ] - atom: 64 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 815, 816, 817, 818, 819, 820 ] - atom: 73 pair_distance: 6.25060122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 821, 822, 823, 824 ] - atom: 74 pair_distance: 9.52137900 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 825, 826, 827, 828 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 5 paired_with: - atom: 1 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 829, 830, 831, 832 ] - atom: 2 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 833, 834, 835, 836 ] - atom: 3 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 837, 838, 839, 840 ] - atom: 4 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 841, 842, 843, 844 ] - atom: 5 pair_distance: 4.52214036 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 845, 846, 847, 848, 849, 850 ] - atom: 6 pair_distance: 8.48742575 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 851, 852, 853, 854, 855, 856 ] - atom: 17 pair_distance: 0.00000000 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 857, 858 ] - atom: 18 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 859, 860 ] - atom: 19 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 861, 862 ] - atom: 20 pair_distance: 10.15742512 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 863, 864 ] - atom: 21 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 865, 866, 867, 868 ] - atom: 22 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 869, 870, 871, 872 ] - atom: 25 pair_distance: 5.07871256 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 873, 874, 875, 876 ] - atom: 26 pair_distance: 5.07871256 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 877, 878, 879, 880 ] - atom: 29 pair_distance: 5.49657813 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 881, 882 ] - atom: 30 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 883, 884 ] - atom: 31 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 885, 886 ] - atom: 32 pair_distance: 11.54927081 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 887, 888 ] - atom: 33 pair_distance: 5.96516496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 34 pair_distance: 5.96516496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 895, 896, 897, 898, 899, 900 ] - atom: 37 pair_distance: 2.74837569 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 901, 902, 903, 904 ] - atom: 38 pair_distance: 5.58782526 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 905, 906, 907, 908 ] - atom: 39 pair_distance: 5.58782526 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 909, 910, 911, 912 ] - atom: 40 pair_distance: 7.40904943 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 913, 914, 915, 916 ] - atom: 41 pair_distance: 2.74837569 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 917, 918, 919, 920 ] - atom: 42 pair_distance: 5.58782526 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 921, 922, 923, 924 ] - atom: 43 pair_distance: 5.58782526 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 925, 926, 927, 928 ] - atom: 44 pair_distance: 7.40904943 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 929, 930, 931, 932 ] - atom: 49 pair_distance: 2.36770106 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 933, 934, 935, 936 ] - atom: 50 pair_distance: 7.56258229 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 937, 938, 939, 940 ] - atom: 51 pair_distance: 7.56258229 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 941, 942, 943, 944 ] - atom: 52 pair_distance: 10.42973122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 945, 946, 947, 948 ] - atom: 61 pair_distance: 5.97016257 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 949, 950, 951, 952 ] - atom: 62 pair_distance: 7.97240624 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 953, 954, 955, 956 ] - atom: 63 pair_distance: 7.97240624 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 957, 958, 959, 960 ] - atom: 64 pair_distance: 9.56429201 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 961, 962, 963, 964 ] - atom: 65 pair_distance: 5.97016257 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 965, 966, 967, 968 ] - atom: 66 pair_distance: 7.97240624 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 969, 970, 971, 972 ] - atom: 67 pair_distance: 7.97240624 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 973, 974, 975, 976 ] - atom: 68 pair_distance: 9.56429201 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 977, 978, 979, 980 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 6 paired_with: - atom: 1 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 981, 982, 983, 984 ] - atom: 2 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 985, 986, 987, 988 ] - atom: 3 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 989, 990, 991, 992 ] - atom: 4 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 993, 994, 995, 996 ] - atom: 5 pair_distance: 4.52214036 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 997, 998, 999, 1000, 1001, 1002 ] - atom: 6 pair_distance: 8.48742575 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1003, 1004, 1005, 1006, 1007, 1008 ] - atom: 17 pair_distance: 0.00000000 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1009, 1010 ] - atom: 18 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1011, 1012 ] - atom: 19 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1013, 1014 ] - atom: 20 pair_distance: 10.15742512 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1015, 1016 ] - atom: 21 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1017, 1018, 1019, 1020 ] - atom: 22 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1021, 1022, 1023, 1024 ] - atom: 25 pair_distance: 5.07871256 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1025, 1026, 1027, 1028 ] - atom: 26 pair_distance: 5.07871256 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1029, 1030, 1031, 1032 ] - atom: 29 pair_distance: 5.49657813 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1033, 1034 ] - atom: 30 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1035, 1036 ] - atom: 31 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1037, 1038 ] - atom: 32 pair_distance: 11.54927081 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1039, 1040 ] - atom: 33 pair_distance: 5.96516496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1041, 1042, 1043, 1044, 1045, 1046 ] - atom: 34 pair_distance: 5.96516496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1047, 1048, 1049, 1050, 1051, 1052 ] - atom: 37 pair_distance: 2.74837569 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1053, 1054, 1055, 1056 ] - atom: 38 pair_distance: 5.58782526 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1057, 1058, 1059, 1060 ] - atom: 39 pair_distance: 5.58782526 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1061, 1062, 1063, 1064 ] - atom: 40 pair_distance: 7.40904943 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1065, 1066, 1067, 1068 ] - atom: 41 pair_distance: 2.74837569 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1069, 1070, 1071, 1072 ] - atom: 42 pair_distance: 5.58782526 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1073, 1074, 1075, 1076 ] - atom: 43 pair_distance: 5.58782526 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1077, 1078, 1079, 1080 ] - atom: 44 pair_distance: 7.40904943 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1081, 1082, 1083, 1084 ] - atom: 49 pair_distance: 2.36770106 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1085, 1086, 1087, 1088 ] - atom: 50 pair_distance: 7.56258229 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1089, 1090, 1091, 1092 ] - atom: 51 pair_distance: 7.56258229 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1093, 1094, 1095, 1096 ] - atom: 52 pair_distance: 10.42973122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1097, 1098, 1099, 1100 ] - atom: 61 pair_distance: 5.97016257 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1101, 1102, 1103, 1104 ] - atom: 62 pair_distance: 7.97240624 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1105, 1106, 1107, 1108 ] - atom: 63 pair_distance: 7.97240624 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1109, 1110, 1111, 1112 ] - atom: 64 pair_distance: 9.56429201 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1113, 1114, 1115, 1116 ] - atom: 65 pair_distance: 5.97016257 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1117, 1118, 1119, 1120 ] - atom: 66 pair_distance: 7.97240624 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1121, 1122, 1123, 1124 ] - atom: 67 pair_distance: 7.97240624 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1125, 1126, 1127, 1128 ] - atom: 68 pair_distance: 9.56429201 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1129, 1130, 1131, 1132 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_id: 7 paired_with: - atom: 1 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1133, 1134, 1135, 1136 ] - atom: 3 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1137, 1138, 1139, 1140 ] - atom: 9 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1141, 1142, 1143, 1144 ] - atom: 10 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1145, 1146, 1147, 1148 ] - atom: 17 pair_distance: 0.00000000 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1149, 1150 ] - atom: 18 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1151, 1152 ] - atom: 20 pair_distance: 10.15742512 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1153, 1154 ] - atom: 21 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1155, 1156, 1157, 1158 ] - atom: 25 pair_distance: 5.07871256 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1159, 1160, 1161, 1162 ] - atom: 29 pair_distance: 5.49657813 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1163, 1164 ] - atom: 30 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1165, 1166 ] - atom: 32 pair_distance: 11.54927081 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1167, 1168 ] - atom: 33 pair_distance: 5.96516496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1169, 1170, 1171, 1172 ] - atom: 37 pair_distance: 2.74837569 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1173, 1174, 1175, 1176 ] - atom: 38 pair_distance: 5.58782526 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1177, 1178, 1179, 1180, 1181, 1182 ] - atom: 40 pair_distance: 7.40904943 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1183, 1184, 1185, 1186 ] - atom: 49 pair_distance: 2.36770106 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1187, 1188 ] - atom: 50 pair_distance: 7.56258229 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1189, 1190 ] - atom: 52 pair_distance: 10.42973122 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1191, 1192 ] - atom: 57 pair_distance: 2.36770106 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1193, 1194 ] - atom: 58 pair_distance: 7.56258229 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1195, 1196 ] - atom: 60 pair_distance: 10.42973122 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1197, 1198 ] - atom: 61 pair_distance: 5.97016257 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1199, 1200, 1201, 1202 ] - atom: 62 pair_distance: 7.97240624 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1203, 1204, 1205, 1206, 1207, 1208 ] - atom: 64 pair_distance: 9.56429201 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1209, 1210, 1211, 1212 ] - atom: 73 pair_distance: 5.96516496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1213, 1214, 1215, 1216 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_id: 8 paired_with: - atom: 1 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1217, 1218, 1219, 1220 ] - atom: 3 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1221, 1222, 1223, 1224 ] - atom: 9 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1225, 1226, 1227, 1228 ] - atom: 10 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1229, 1230, 1231, 1232 ] - atom: 17 pair_distance: 0.00000000 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1233, 1234 ] - atom: 18 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1235, 1236 ] - atom: 20 pair_distance: 10.15742512 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1237, 1238 ] - atom: 21 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1239, 1240, 1241, 1242 ] - atom: 25 pair_distance: 5.07871256 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1243, 1244, 1245, 1246 ] - atom: 29 pair_distance: 5.49657813 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1247, 1248 ] - atom: 30 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1249, 1250 ] - atom: 32 pair_distance: 11.54927081 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1251, 1252 ] - atom: 33 pair_distance: 5.96516496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1253, 1254, 1255, 1256 ] - atom: 37 pair_distance: 2.74837569 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1257, 1258, 1259, 1260 ] - atom: 38 pair_distance: 5.58782526 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1261, 1262, 1263, 1264, 1265, 1266 ] - atom: 40 pair_distance: 7.40904943 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1267, 1268, 1269, 1270 ] - atom: 49 pair_distance: 2.36770106 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1271, 1272 ] - atom: 50 pair_distance: 7.56258229 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1273, 1274 ] - atom: 52 pair_distance: 10.42973122 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1275, 1276 ] - atom: 57 pair_distance: 2.36770106 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1277, 1278 ] - atom: 58 pair_distance: 7.56258229 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1279, 1280 ] - atom: 60 pair_distance: 10.42973122 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1281, 1282 ] - atom: 61 pair_distance: 5.97016257 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1283, 1284, 1285, 1286 ] - atom: 62 pair_distance: 7.97240624 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1287, 1288, 1289, 1290, 1291, 1292 ] - atom: 64 pair_distance: 9.56429201 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1293, 1294, 1295, 1296 ] - atom: 73 pair_distance: 5.96516496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1297, 1298, 1299, 1300 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 9 paired_with: - atom: 1 pair_distance: 4.52214036 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1301, 1302, 1303, 1304, 1305, 1306 ] - atom: 2 pair_distance: 8.48742575 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1307, 1308, 1309, 1310, 1311, 1312 ] - atom: 5 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1313, 1314, 1315, 1316 ] - atom: 6 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1317, 1318, 1319, 1320 ] - atom: 7 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1321, 1322, 1323, 1324 ] - atom: 8 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1325, 1326, 1327, 1328 ] - atom: 17 pair_distance: 5.07871256 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1329, 1330, 1331, 1332 ] - atom: 18 pair_distance: 5.07871256 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1333, 1334, 1335, 1336 ] - atom: 21 pair_distance: 5.49657813 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1337, 1338 ] - atom: 22 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1339, 1340 ] - atom: 23 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1341, 1342 ] - atom: 24 pair_distance: 11.54927081 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1343, 1344 ] - atom: 25 pair_distance: 0.00000000 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1345, 1346 ] - atom: 26 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1347, 1348 ] - atom: 27 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1349, 1350 ] - atom: 28 pair_distance: 10.15742512 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1351, 1352 ] - atom: 29 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1353, 1354, 1355, 1356 ] - atom: 30 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1357, 1358, 1359, 1360 ] - atom: 33 pair_distance: 3.12887707 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1361, 1362, 1363, 1364 ] - atom: 34 pair_distance: 7.83431645 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1365, 1366, 1367, 1368 ] - atom: 35 pair_distance: 7.83431645 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1369, 1370, 1371, 1372 ] - atom: 36 pair_distance: 10.62841271 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1373, 1374, 1375, 1376 ] - atom: 37 pair_distance: 5.77467663 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1377, 1378, 1379, 1380 ] - atom: 38 pair_distance: 7.82708825 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1381, 1382, 1383, 1384 ] - atom: 39 pair_distance: 2.33033687 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1385, 1386, 1387, 1388 ] - atom: 40 pair_distance: 5.77467663 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1389, 1390, 1391, 1392 ] - atom: 41 pair_distance: 5.77467663 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1393, 1394, 1395, 1396 ] - atom: 42 pair_distance: 2.33033687 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1397, 1398, 1399, 1400 ] - atom: 43 pair_distance: 7.82708825 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1401, 1402, 1403, 1404 ] - atom: 44 pair_distance: 5.77467663 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1405, 1406, 1407, 1408 ] - atom: 49 pair_distance: 5.60351047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1409, 1410, 1411, 1412, 1413, 1414 ] - atom: 50 pair_distance: 5.60351047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 61 pair_distance: 7.83812237 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1421, 1422, 1423, 1424 ] - atom: 62 pair_distance: 6.14539991 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1425, 1426, 1427, 1428 ] - atom: 63 pair_distance: 9.22531217 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1429, 1430, 1431, 1432 ] - atom: 64 pair_distance: 7.83812237 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1433, 1434, 1435, 1436 ] - atom: 65 pair_distance: 7.83812237 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1437, 1438, 1439, 1440 ] - atom: 66 pair_distance: 9.22531217 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1441, 1442, 1443, 1444 ] - atom: 67 pair_distance: 6.14539991 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1445, 1446, 1447, 1448 ] - atom: 68 pair_distance: 7.83812237 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1449, 1450, 1451, 1452 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 10 paired_with: - atom: 1 pair_distance: 4.52214036 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1453, 1454, 1455, 1456, 1457, 1458 ] - atom: 2 pair_distance: 8.48742575 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1459, 1460, 1461, 1462, 1463, 1464 ] - atom: 5 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1465, 1466, 1467, 1468 ] - atom: 6 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1469, 1470, 1471, 1472 ] - atom: 7 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1473, 1474, 1475, 1476 ] - atom: 8 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1477, 1478, 1479, 1480 ] - atom: 17 pair_distance: 5.07871256 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1481, 1482, 1483, 1484 ] - atom: 18 pair_distance: 5.07871256 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1485, 1486, 1487, 1488 ] - atom: 21 pair_distance: 5.49657813 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1489, 1490 ] - atom: 22 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1491, 1492 ] - atom: 23 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1493, 1494 ] - atom: 24 pair_distance: 11.54927081 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1495, 1496 ] - atom: 25 pair_distance: 0.00000000 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1497, 1498 ] - atom: 26 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1499, 1500 ] - atom: 27 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1501, 1502 ] - atom: 28 pair_distance: 10.15742512 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1503, 1504 ] - atom: 29 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1505, 1506, 1507, 1508 ] - atom: 30 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1509, 1510, 1511, 1512 ] - atom: 33 pair_distance: 3.12887707 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1513, 1514, 1515, 1516 ] - atom: 34 pair_distance: 7.83431645 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1517, 1518, 1519, 1520 ] - atom: 35 pair_distance: 7.83431645 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1521, 1522, 1523, 1524 ] - atom: 36 pair_distance: 10.62841271 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1525, 1526, 1527, 1528 ] - atom: 37 pair_distance: 5.77467663 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1529, 1530, 1531, 1532 ] - atom: 38 pair_distance: 7.82708825 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1533, 1534, 1535, 1536 ] - atom: 39 pair_distance: 2.33033687 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1537, 1538, 1539, 1540 ] - atom: 40 pair_distance: 5.77467663 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1541, 1542, 1543, 1544 ] - atom: 41 pair_distance: 5.77467663 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1545, 1546, 1547, 1548 ] - atom: 42 pair_distance: 2.33033687 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1549, 1550, 1551, 1552 ] - atom: 43 pair_distance: 7.82708825 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1553, 1554, 1555, 1556 ] - atom: 44 pair_distance: 5.77467663 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1557, 1558, 1559, 1560 ] - atom: 49 pair_distance: 5.60351047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1561, 1562, 1563, 1564, 1565, 1566 ] - atom: 50 pair_distance: 5.60351047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1567, 1568, 1569, 1570, 1571, 1572 ] - atom: 61 pair_distance: 7.83812237 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1573, 1574, 1575, 1576 ] - atom: 62 pair_distance: 6.14539991 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1577, 1578, 1579, 1580 ] - atom: 63 pair_distance: 9.22531217 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1581, 1582, 1583, 1584 ] - atom: 64 pair_distance: 7.83812237 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1585, 1586, 1587, 1588 ] - atom: 65 pair_distance: 7.83812237 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1589, 1590, 1591, 1592 ] - atom: 66 pair_distance: 9.22531217 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1593, 1594, 1595, 1596 ] - atom: 67 pair_distance: 6.14539991 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1597, 1598, 1599, 1600 ] - atom: 68 pair_distance: 7.83812237 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1601, 1602, 1603, 1604 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_id: 11 paired_with: - atom: 1 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1605, 1606, 1607, 1608 ] - atom: 2 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1609, 1610, 1611, 1612 ] - atom: 9 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1613, 1614, 1615, 1616 ] - atom: 11 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1617, 1618, 1619, 1620 ] - atom: 17 pair_distance: 5.07871256 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1621, 1622, 1623, 1624 ] - atom: 21 pair_distance: 5.49657813 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1625, 1626 ] - atom: 22 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1627, 1628 ] - atom: 24 pair_distance: 11.54927081 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1629, 1630 ] - atom: 25 pair_distance: 0.00000000 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1631, 1632 ] - atom: 26 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1633, 1634 ] - atom: 28 pair_distance: 10.15742512 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1635, 1636 ] - atom: 29 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1637, 1638, 1639, 1640 ] - atom: 33 pair_distance: 3.12887707 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1641, 1642 ] - atom: 34 pair_distance: 7.83431645 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1643, 1644 ] - atom: 36 pair_distance: 10.62841271 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1645, 1646 ] - atom: 37 pair_distance: 5.77467663 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1647, 1648, 1649, 1650, 1651, 1652 ] - atom: 38 pair_distance: 7.82708825 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1653, 1654, 1655, 1656 ] - atom: 39 pair_distance: 2.33033687 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1657, 1658, 1659, 1660 ] - atom: 49 pair_distance: 5.60351047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1661, 1662, 1663, 1664 ] - atom: 57 pair_distance: 5.60351047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1665, 1666, 1667, 1668 ] - atom: 61 pair_distance: 7.83812237 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 62 pair_distance: 6.14539991 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1675, 1676, 1677, 1678 ] - atom: 63 pair_distance: 9.22531217 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1679, 1680, 1681, 1682 ] - atom: 73 pair_distance: 3.12887707 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1683, 1684 ] - atom: 74 pair_distance: 7.83431645 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1685, 1686 ] - atom: 76 pair_distance: 10.62841271 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1687, 1688 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_id: 12 paired_with: - atom: 1 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1689, 1690, 1691, 1692 ] - atom: 2 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1693, 1694, 1695, 1696 ] - atom: 9 pair_distance: 4.52214036 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1697, 1698, 1699, 1700 ] - atom: 11 pair_distance: 8.48742575 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1701, 1702, 1703, 1704 ] - atom: 17 pair_distance: 5.07871256 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1705, 1706, 1707, 1708 ] - atom: 21 pair_distance: 5.49657813 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1709, 1710 ] - atom: 22 pair_distance: 9.04428071 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1711, 1712 ] - atom: 24 pair_distance: 11.54927081 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1713, 1714 ] - atom: 25 pair_distance: 0.00000000 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1715, 1716 ] - atom: 26 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1717, 1718 ] - atom: 28 pair_distance: 10.15742512 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1719, 1720 ] - atom: 29 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1721, 1722, 1723, 1724 ] - atom: 33 pair_distance: 3.12887707 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1725, 1726 ] - atom: 34 pair_distance: 7.83431645 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1727, 1728 ] - atom: 36 pair_distance: 10.62841271 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1729, 1730 ] - atom: 37 pair_distance: 5.77467663 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1731, 1732, 1733, 1734, 1735, 1736 ] - atom: 38 pair_distance: 7.82708825 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1737, 1738, 1739, 1740 ] - atom: 39 pair_distance: 2.33033687 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1741, 1742, 1743, 1744 ] - atom: 49 pair_distance: 5.60351047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1745, 1746, 1747, 1748 ] - atom: 57 pair_distance: 5.60351047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1749, 1750, 1751, 1752 ] - atom: 61 pair_distance: 7.83812237 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1753, 1754, 1755, 1756, 1757, 1758 ] - atom: 62 pair_distance: 6.14539991 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1759, 1760, 1761, 1762 ] - atom: 63 pair_distance: 9.22531217 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1763, 1764, 1765, 1766 ] - atom: 73 pair_distance: 3.12887707 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1767, 1768 ] - atom: 74 pair_distance: 7.83431645 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 1769, 1770 ] - atom: 76 pair_distance: 10.62841271 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 1771, 1772 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 13 paired_with: - atom: 1 pair_distance: 3.61130279 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1773, 1774, 1775, 1776, 1777, 1778 ] - atom: 2 pair_distance: 8.03916354 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1779, 1780, 1781, 1782, 1783, 1784 ] - atom: 5 pair_distance: 3.61130279 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1785, 1786, 1787, 1788 ] - atom: 6 pair_distance: 3.61130279 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1789, 1790, 1791, 1792 ] - atom: 7 pair_distance: 8.03916354 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1793, 1794, 1795, 1796 ] - atom: 8 pair_distance: 8.03916354 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1797, 1798, 1799, 1800 ] - atom: 9 pair_distance: 6.25060122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1801, 1802, 1803, 1804 ] - atom: 10 pair_distance: 6.25060122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1805, 1806, 1807, 1808 ] - atom: 11 pair_distance: 9.52137900 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1809, 1810, 1811, 1812 ] - atom: 12 pair_distance: 9.52137900 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1813, 1814, 1815, 1816 ] - atom: 13 pair_distance: 6.25060122 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1817, 1818, 1819, 1820, 1821, 1822 ] - atom: 14 pair_distance: 9.52137900 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1823, 1824, 1825, 1826, 1827, 1828 ] - atom: 17 pair_distance: 5.96516496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1829, 1830, 1831, 1832, 1833, 1834 ] - atom: 18 pair_distance: 5.96516496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 21 pair_distance: 2.36770106 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1841, 1842, 1843, 1844 ] - atom: 22 pair_distance: 7.56258229 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1845, 1846, 1847, 1848 ] - atom: 23 pair_distance: 7.56258229 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1849, 1850, 1851, 1852 ] - atom: 24 pair_distance: 10.42973122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1853, 1854, 1855, 1856 ] - atom: 25 pair_distance: 3.12887707 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1857, 1858, 1859, 1860 ] - atom: 26 pair_distance: 7.83431645 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1861, 1862, 1863, 1864 ] - atom: 27 pair_distance: 7.83431645 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1865, 1866, 1867, 1868 ] - atom: 28 pair_distance: 10.62841271 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1869, 1870, 1871, 1872 ] - atom: 29 pair_distance: 5.60351047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1873, 1874, 1875, 1876, 1877, 1878 ] - atom: 30 pair_distance: 5.60351047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 33 pair_distance: 0.00000000 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1885, 1886, 1887, 1888 ] - atom: 34 pair_distance: 7.18238418 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1889, 1890, 1891, 1892 ] - atom: 35 pair_distance: 7.18238418 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1893, 1894, 1895, 1896 ] - atom: 36 pair_distance: 10.15742512 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1897, 1898, 1899, 1900 ] - atom: 37 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1901, 1902, 1903, 1904, 1905, 1906 ] - atom: 38 pair_distance: 8.42930496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1907, 1908, 1909, 1910, 1911, 1912 ] - atom: 39 pair_distance: 3.90132563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1913, 1914, 1915, 1916, 1917, 1918 ] - atom: 40 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 41 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1925, 1926, 1927, 1928, 1929, 1930 ] - atom: 42 pair_distance: 3.90132563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1931, 1932, 1933, 1934, 1935, 1936 ] - atom: 43 pair_distance: 8.42930496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1937, 1938, 1939, 1940, 1941, 1942 ] - atom: 44 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1943, 1944, 1945, 1946, 1947, 1948 ] - atom: 49 pair_distance: 5.13543671 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 50 pair_distance: 5.13543671 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 57 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1961, 1962, 1963, 1964, 1965, 1966 ] - atom: 58 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1967, 1968, 1969, 1970, 1971, 1972 ] - atom: 61 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1973, 1974, 1975, 1976, 1977, 1978 ] - atom: 62 pair_distance: 3.62761316 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1979, 1980, 1981, 1982, 1983, 1984 ] - atom: 63 pair_distance: 7.77817599 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 64 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1991, 1992, 1993, 1994, 1995, 1996 ] - atom: 65 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1997, 1998, 1999, 2000, 2001, 2002 ] - atom: 66 pair_distance: 7.77817599 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2003, 2004, 2005, 2006, 2007, 2008 ] - atom: 67 pair_distance: 3.62761316 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 68 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2015, 2016, 2017, 2018, 2019, 2020 ] - atom: 73 pair_distance: 4.73540212 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2021, 2022, 2023, 2024 ] - atom: 74 pair_distance: 8.60294576 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2025, 2026, 2027, 2028 ] - atom: 75 pair_distance: 8.60294576 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2029, 2030, 2031, 2032 ] - atom: 76 pair_distance: 11.20702094 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2033, 2034, 2035, 2036 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 14 paired_with: - atom: 1 pair_distance: 3.61130279 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2037, 2038, 2039, 2040, 2041, 2042 ] - atom: 2 pair_distance: 8.03916354 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2043, 2044, 2045, 2046, 2047, 2048 ] - atom: 5 pair_distance: 3.61130279 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2049, 2050, 2051, 2052 ] - atom: 6 pair_distance: 3.61130279 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2053, 2054, 2055, 2056 ] - atom: 7 pair_distance: 8.03916354 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2057, 2058, 2059, 2060 ] - atom: 8 pair_distance: 8.03916354 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2061, 2062, 2063, 2064 ] - atom: 9 pair_distance: 6.25060122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2065, 2066, 2067, 2068 ] - atom: 10 pair_distance: 6.25060122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2069, 2070, 2071, 2072 ] - atom: 11 pair_distance: 9.52137900 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2073, 2074, 2075, 2076 ] - atom: 12 pair_distance: 9.52137900 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2077, 2078, 2079, 2080 ] - atom: 13 pair_distance: 6.25060122 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2081, 2082, 2083, 2084, 2085, 2086 ] - atom: 14 pair_distance: 9.52137900 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2087, 2088, 2089, 2090, 2091, 2092 ] - atom: 17 pair_distance: 5.96516496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2093, 2094, 2095, 2096, 2097, 2098 ] - atom: 18 pair_distance: 5.96516496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2099, 2100, 2101, 2102, 2103, 2104 ] - atom: 21 pair_distance: 2.36770106 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2105, 2106, 2107, 2108 ] - atom: 22 pair_distance: 7.56258229 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2109, 2110, 2111, 2112 ] - atom: 23 pair_distance: 7.56258229 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2113, 2114, 2115, 2116 ] - atom: 24 pair_distance: 10.42973122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2117, 2118, 2119, 2120 ] - atom: 25 pair_distance: 3.12887707 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2121, 2122, 2123, 2124 ] - atom: 26 pair_distance: 7.83431645 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2125, 2126, 2127, 2128 ] - atom: 27 pair_distance: 7.83431645 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2129, 2130, 2131, 2132 ] - atom: 28 pair_distance: 10.62841271 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2133, 2134, 2135, 2136 ] - atom: 29 pair_distance: 5.60351047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 30 pair_distance: 5.60351047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 33 pair_distance: 0.00000000 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2149, 2150, 2151, 2152 ] - atom: 34 pair_distance: 7.18238418 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2153, 2154, 2155, 2156 ] - atom: 35 pair_distance: 7.18238418 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2157, 2158, 2159, 2160 ] - atom: 36 pair_distance: 10.15742512 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2161, 2162, 2163, 2164 ] - atom: 37 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2165, 2166, 2167, 2168, 2169, 2170 ] - atom: 38 pair_distance: 8.42930496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2171, 2172, 2173, 2174, 2175, 2176 ] - atom: 39 pair_distance: 3.90132563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2177, 2178, 2179, 2180, 2181, 2182 ] - atom: 40 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2183, 2184, 2185, 2186, 2187, 2188 ] - atom: 41 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2189, 2190, 2191, 2192, 2193, 2194 ] - atom: 42 pair_distance: 3.90132563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2195, 2196, 2197, 2198, 2199, 2200 ] - atom: 43 pair_distance: 8.42930496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2201, 2202, 2203, 2204, 2205, 2206 ] - atom: 44 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2207, 2208, 2209, 2210, 2211, 2212 ] - atom: 49 pair_distance: 5.13543671 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2213, 2214, 2215, 2216, 2217, 2218 ] - atom: 50 pair_distance: 5.13543671 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2219, 2220, 2221, 2222, 2223, 2224 ] - atom: 57 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2225, 2226, 2227, 2228, 2229, 2230 ] - atom: 58 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2231, 2232, 2233, 2234, 2235, 2236 ] - atom: 61 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2237, 2238, 2239, 2240, 2241, 2242 ] - atom: 62 pair_distance: 3.62761316 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2243, 2244, 2245, 2246, 2247, 2248 ] - atom: 63 pair_distance: 7.77817599 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2249, 2250, 2251, 2252, 2253, 2254 ] - atom: 64 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2255, 2256, 2257, 2258, 2259, 2260 ] - atom: 65 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2261, 2262, 2263, 2264, 2265, 2266 ] - atom: 66 pair_distance: 7.77817599 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2267, 2268, 2269, 2270, 2271, 2272 ] - atom: 67 pair_distance: 3.62761316 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2273, 2274, 2275, 2276, 2277, 2278 ] - atom: 68 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2279, 2280, 2281, 2282, 2283, 2284 ] - atom: 73 pair_distance: 4.73540212 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2285, 2286, 2287, 2288 ] - atom: 74 pair_distance: 8.60294576 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2289, 2290, 2291, 2292 ] - atom: 75 pair_distance: 8.60294576 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2293, 2294, 2295, 2296 ] - atom: 76 pair_distance: 11.20702094 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2297, 2298, 2299, 2300 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_id: 15 paired_with: - atom: 1 pair_distance: 3.61130279 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2301, 2302, 2303, 2304 ] - atom: 2 pair_distance: 8.03916354 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2305, 2306, 2307, 2308 ] - atom: 9 pair_distance: 6.25060122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2309, 2310, 2311, 2312 ] - atom: 11 pair_distance: 9.52137900 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2313, 2314, 2315, 2316 ] - atom: 17 pair_distance: 5.96516496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2317, 2318, 2319, 2320 ] - atom: 21 pair_distance: 2.36770106 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2321, 2322 ] - atom: 22 pair_distance: 7.56258229 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 2323, 2324 ] - atom: 24 pair_distance: 10.42973122 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2325, 2326 ] - atom: 25 pair_distance: 3.12887707 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2327, 2328 ] - atom: 26 pair_distance: 7.83431645 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 2329, 2330 ] - atom: 28 pair_distance: 10.62841271 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2331, 2332 ] - atom: 29 pair_distance: 5.60351047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2333, 2334, 2335, 2336 ] - atom: 33 pair_distance: 0.00000000 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2337, 2338 ] - atom: 34 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 2339, 2340 ] - atom: 36 pair_distance: 10.15742512 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2341, 2342 ] - atom: 37 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2343, 2344, 2345, 2346, 2347, 2348 ] - atom: 38 pair_distance: 8.42930496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2349, 2350, 2351, 2352 ] - atom: 39 pair_distance: 3.90132563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2353, 2354, 2355, 2356 ] - atom: 49 pair_distance: 5.13543671 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2357, 2358, 2359, 2360 ] - atom: 57 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2361, 2362, 2363, 2364 ] - atom: 61 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 62 pair_distance: 3.62761316 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2371, 2372, 2373, 2374 ] - atom: 63 pair_distance: 7.77817599 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2375, 2376, 2377, 2378 ] - atom: 73 pair_distance: 4.73540212 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2379, 2380 ] - atom: 74 pair_distance: 8.60294576 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 2381, 2382 ] - atom: 76 pair_distance: 11.20702094 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2383, 2384 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_id: 16 paired_with: - atom: 1 pair_distance: 3.61130279 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2385, 2386, 2387, 2388 ] - atom: 2 pair_distance: 8.03916354 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2389, 2390, 2391, 2392 ] - atom: 9 pair_distance: 6.25060122 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2393, 2394, 2395, 2396 ] - atom: 11 pair_distance: 9.52137900 displacements: - [ 0.0070710678118655, 0.0070710678118655, 0.0000000000000000 ] - [ -0.0070710678118655, -0.0070710678118655, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2397, 2398, 2399, 2400 ] - atom: 17 pair_distance: 5.96516496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2401, 2402, 2403, 2404 ] - atom: 21 pair_distance: 2.36770106 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2405, 2406 ] - atom: 22 pair_distance: 7.56258229 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 2407, 2408 ] - atom: 24 pair_distance: 10.42973122 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2409, 2410 ] - atom: 25 pair_distance: 3.12887707 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2411, 2412 ] - atom: 26 pair_distance: 7.83431645 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 2413, 2414 ] - atom: 28 pair_distance: 10.62841271 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2415, 2416 ] - atom: 29 pair_distance: 5.60351047 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2417, 2418, 2419, 2420 ] - atom: 33 pair_distance: 0.00000000 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2421, 2422 ] - atom: 34 pair_distance: 7.18238418 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 2423, 2424 ] - atom: 36 pair_distance: 10.15742512 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2425, 2426 ] - atom: 37 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2427, 2428, 2429, 2430, 2431, 2432 ] - atom: 38 pair_distance: 8.42930496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2433, 2434, 2435, 2436 ] - atom: 39 pair_distance: 3.90132563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2437, 2438, 2439, 2440 ] - atom: 49 pair_distance: 5.13543671 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2441, 2442, 2443, 2444 ] - atom: 57 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2445, 2446, 2447, 2448 ] - atom: 61 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 62 pair_distance: 3.62761316 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2455, 2456, 2457, 2458 ] - atom: 63 pair_distance: 7.77817599 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2459, 2460, 2461, 2462 ] - atom: 73 pair_distance: 4.73540212 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2463, 2464 ] - atom: 74 pair_distance: 8.60294576 displacements: - [ 0.0062189070638793, 0.0062189070638793, 0.0047592425722654 ] - [ -0.0062189070638793, -0.0062189070638793, -0.0047592425722654 ] displacement_ids: [ 2465, 2466 ] - atom: 76 pair_distance: 11.20702094 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] displacement_ids: [ 2467, 2468 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 17 paired_with: - atom: 1 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2469, 2470, 2471, 2472, 2473, 2474 ] - atom: 2 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2475, 2476, 2477, 2478, 2479, 2480 ] - atom: 3 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2481, 2482, 2483, 2484, 2485, 2486 ] - atom: 4 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2487, 2488, 2489, 2490, 2491, 2492 ] - atom: 5 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2493, 2494, 2495, 2496, 2497, 2498 ] - atom: 6 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2499, 2500, 2501, 2502, 2503, 2504 ] - atom: 7 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2505, 2506, 2507, 2508, 2509, 2510 ] - atom: 8 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2511, 2512, 2513, 2514, 2515, 2516 ] - atom: 17 pair_distance: 2.74837569 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2517, 2518, 2519, 2520 ] - atom: 18 pair_distance: 5.58782526 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2521, 2522, 2523, 2524 ] - atom: 19 pair_distance: 5.58782526 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2525, 2526, 2527, 2528 ] - atom: 20 pair_distance: 7.40904943 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2529, 2530, 2531, 2532 ] - atom: 21 pair_distance: 7.97240624 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2533, 2534, 2535, 2536 ] - atom: 22 pair_distance: 9.56429201 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2537, 2538, 2539, 2540 ] - atom: 23 pair_distance: 5.97016257 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2541, 2542, 2543, 2544 ] - atom: 24 pair_distance: 7.97240624 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2545, 2546, 2547, 2548 ] - atom: 25 pair_distance: 5.77467663 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2549, 2550, 2551, 2552 ] - atom: 26 pair_distance: 7.82708825 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2553, 2554, 2555, 2556 ] - atom: 27 pair_distance: 2.33033687 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2557, 2558, 2559, 2560 ] - atom: 28 pair_distance: 5.77467663 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2561, 2562, 2563, 2564 ] - atom: 29 pair_distance: 6.14539991 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2565, 2566, 2567, 2568 ] - atom: 30 pair_distance: 7.83812237 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2569, 2570, 2571, 2572 ] - atom: 31 pair_distance: 7.83812237 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2573, 2574, 2575, 2576 ] - atom: 32 pair_distance: 9.22531217 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2577, 2578, 2579, 2580 ] - atom: 33 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2581, 2582, 2583, 2584, 2585, 2586 ] - atom: 34 pair_distance: 8.42930496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2587, 2588, 2589, 2590, 2591, 2592 ] - atom: 35 pair_distance: 3.90132563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2593, 2594, 2595, 2596, 2597, 2598 ] - atom: 36 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2599, 2600, 2601, 2602, 2603, 2604 ] - atom: 37 pair_distance: 0.00000000 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2605, 2606, 2607, 2608 ] - atom: 38 pair_distance: 7.18238418 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2609, 2610, 2611, 2612 ] - atom: 39 pair_distance: 7.18238418 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2613, 2614, 2615, 2616 ] - atom: 40 pair_distance: 10.15742512 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2617, 2618, 2619, 2620 ] - atom: 41 pair_distance: 5.49675138 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2621, 2622, 2623, 2624 ] - atom: 42 pair_distance: 5.09588831 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2625, 2626, 2627, 2628 ] - atom: 43 pair_distance: 5.09588831 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2629, 2630, 2631, 2632 ] - atom: 44 pair_distance: 4.66067374 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2633, 2634, 2635, 2636 ] - atom: 45 pair_distance: 3.88679018 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2637, 2638, 2639, 2640 ] - atom: 46 pair_distance: 3.29559400 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2641, 2642, 2643, 2644 ] - atom: 47 pair_distance: 8.16662601 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2645, 2646, 2647, 2648 ] - atom: 48 pair_distance: 7.90237827 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2649, 2650, 2651, 2652 ] - atom: 49 pair_distance: 3.62761316 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2653, 2654, 2655, 2656, 2657, 2658 ] - atom: 50 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2659, 2660, 2661, 2662, 2663, 2664 ] - atom: 51 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2665, 2666, 2667, 2668, 2669, 2670 ] - atom: 52 pair_distance: 7.77817599 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 53 pair_distance: 3.88679018 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2677, 2678, 2679, 2680 ] - atom: 54 pair_distance: 8.16662601 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2681, 2682, 2683, 2684 ] - atom: 55 pair_distance: 3.29559400 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2685, 2686, 2687, 2688 ] - atom: 56 pair_distance: 7.90237827 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2689, 2690, 2691, 2692 ] - atom: 61 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2693, 2694, 2695, 2696 ] - atom: 62 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2697, 2698, 2699, 2700 ] - atom: 63 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2701, 2702, 2703, 2704 ] - atom: 64 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2705, 2706, 2707, 2708 ] - atom: 65 pair_distance: 5.51245205 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2709, 2710, 2711, 2712 ] - atom: 66 pair_distance: 8.81632418 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2713, 2714, 2715, 2716 ] - atom: 67 pair_distance: 8.81632418 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2717, 2718, 2719, 2720 ] - atom: 68 pair_distance: 11.18338127 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2721, 2722, 2723, 2724 ] - atom: 69 pair_distance: 6.57239758 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2725, 2726, 2727, 2728 ] - atom: 70 pair_distance: 9.51508563 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2729, 2730, 2731, 2732 ] - atom: 71 pair_distance: 6.57239758 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2733, 2734, 2735, 2736 ] - atom: 72 pair_distance: 9.51508563 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2737, 2738, 2739, 2740 ] - atom: 77 pair_distance: 6.57239758 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2741, 2742, 2743, 2744 ] - atom: 78 pair_distance: 6.57239758 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2745, 2746, 2747, 2748 ] - atom: 79 pair_distance: 9.51508563 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2749, 2750, 2751, 2752 ] - atom: 80 pair_distance: 9.51508563 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2753, 2754, 2755, 2756 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 18 paired_with: - atom: 1 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2757, 2758, 2759, 2760, 2761, 2762 ] - atom: 2 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2763, 2764, 2765, 2766, 2767, 2768 ] - atom: 3 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2769, 2770, 2771, 2772, 2773, 2774 ] - atom: 4 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2775, 2776, 2777, 2778, 2779, 2780 ] - atom: 5 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2781, 2782, 2783, 2784, 2785, 2786 ] - atom: 6 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2787, 2788, 2789, 2790, 2791, 2792 ] - atom: 7 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2793, 2794, 2795, 2796, 2797, 2798 ] - atom: 8 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2799, 2800, 2801, 2802, 2803, 2804 ] - atom: 17 pair_distance: 2.74837569 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2805, 2806, 2807, 2808 ] - atom: 18 pair_distance: 5.58782526 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2809, 2810, 2811, 2812 ] - atom: 19 pair_distance: 5.58782526 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2813, 2814, 2815, 2816 ] - atom: 20 pair_distance: 7.40904943 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2817, 2818, 2819, 2820 ] - atom: 21 pair_distance: 7.97240624 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2821, 2822, 2823, 2824 ] - atom: 22 pair_distance: 9.56429201 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2825, 2826, 2827, 2828 ] - atom: 23 pair_distance: 5.97016257 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2829, 2830, 2831, 2832 ] - atom: 24 pair_distance: 7.97240624 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2833, 2834, 2835, 2836 ] - atom: 25 pair_distance: 5.77467663 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2837, 2838, 2839, 2840 ] - atom: 26 pair_distance: 7.82708825 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2841, 2842, 2843, 2844 ] - atom: 27 pair_distance: 2.33033687 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2845, 2846, 2847, 2848 ] - atom: 28 pair_distance: 5.77467663 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2849, 2850, 2851, 2852 ] - atom: 29 pair_distance: 6.14539991 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2853, 2854, 2855, 2856 ] - atom: 30 pair_distance: 7.83812237 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2857, 2858, 2859, 2860 ] - atom: 31 pair_distance: 7.83812237 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2861, 2862, 2863, 2864 ] - atom: 32 pair_distance: 9.22531217 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2865, 2866, 2867, 2868 ] - atom: 33 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2869, 2870, 2871, 2872, 2873, 2874 ] - atom: 34 pair_distance: 8.42930496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2875, 2876, 2877, 2878, 2879, 2880 ] - atom: 35 pair_distance: 3.90132563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2881, 2882, 2883, 2884, 2885, 2886 ] - atom: 36 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 37 pair_distance: 0.00000000 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2893, 2894, 2895, 2896 ] - atom: 38 pair_distance: 7.18238418 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2897, 2898, 2899, 2900 ] - atom: 39 pair_distance: 7.18238418 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2901, 2902, 2903, 2904 ] - atom: 40 pair_distance: 10.15742512 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2905, 2906, 2907, 2908 ] - atom: 41 pair_distance: 5.49675138 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2909, 2910, 2911, 2912 ] - atom: 42 pair_distance: 5.09588831 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2913, 2914, 2915, 2916 ] - atom: 43 pair_distance: 5.09588831 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2917, 2918, 2919, 2920 ] - atom: 44 pair_distance: 4.66067374 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2921, 2922, 2923, 2924 ] - atom: 45 pair_distance: 3.88679018 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2925, 2926, 2927, 2928 ] - atom: 46 pair_distance: 3.29559400 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2929, 2930, 2931, 2932 ] - atom: 47 pair_distance: 8.16662601 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2933, 2934, 2935, 2936 ] - atom: 48 pair_distance: 7.90237827 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2937, 2938, 2939, 2940 ] - atom: 49 pair_distance: 3.62761316 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 50 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2947, 2948, 2949, 2950, 2951, 2952 ] - atom: 51 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2953, 2954, 2955, 2956, 2957, 2958 ] - atom: 52 pair_distance: 7.77817599 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2959, 2960, 2961, 2962, 2963, 2964 ] - atom: 53 pair_distance: 3.88679018 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2965, 2966, 2967, 2968 ] - atom: 54 pair_distance: 8.16662601 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2969, 2970, 2971, 2972 ] - atom: 55 pair_distance: 3.29559400 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2973, 2974, 2975, 2976 ] - atom: 56 pair_distance: 7.90237827 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2977, 2978, 2979, 2980 ] - atom: 61 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2981, 2982, 2983, 2984 ] - atom: 62 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2985, 2986, 2987, 2988 ] - atom: 63 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2989, 2990, 2991, 2992 ] - atom: 64 pair_distance: 7.48369510 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2993, 2994, 2995, 2996 ] - atom: 65 pair_distance: 5.51245205 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 2997, 2998, 2999, 3000 ] - atom: 66 pair_distance: 8.81632418 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 3001, 3002, 3003, 3004 ] - atom: 67 pair_distance: 8.81632418 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 3005, 3006, 3007, 3008 ] - atom: 68 pair_distance: 11.18338127 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 3009, 3010, 3011, 3012 ] - atom: 69 pair_distance: 6.57239758 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 3013, 3014, 3015, 3016 ] - atom: 70 pair_distance: 9.51508563 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 3017, 3018, 3019, 3020 ] - atom: 71 pair_distance: 6.57239758 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 3021, 3022, 3023, 3024 ] - atom: 72 pair_distance: 9.51508563 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 3025, 3026, 3027, 3028 ] - atom: 77 pair_distance: 6.57239758 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 3029, 3030, 3031, 3032 ] - atom: 78 pair_distance: 6.57239758 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 3033, 3034, 3035, 3036 ] - atom: 79 pair_distance: 9.51508563 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 3037, 3038, 3039, 3040 ] - atom: 80 pair_distance: 9.51508563 displacements: - [ 0.0079413547704659, 0.0000000000000000, 0.0060774077047371 ] - [ -0.0079413547704659, 0.0000000000000000, -0.0060774077047371 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 3041, 3042, 3043, 3044 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_id: 19 paired_with: - atom: 1 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3045, 3046, 3047, 3048, 3049, 3050 ] - atom: 2 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 3 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3057, 3058, 3059, 3060, 3061, 3062 ] - atom: 4 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3063, 3064, 3065, 3066, 3067, 3068 ] - atom: 9 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3069, 3070, 3071, 3072, 3073, 3074 ] - atom: 10 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3075, 3076, 3077, 3078, 3079, 3080 ] - atom: 11 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3081, 3082, 3083, 3084, 3085, 3086 ] - atom: 12 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 17 pair_distance: 2.74837569 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3093, 3094, 3095, 3096 ] - atom: 18 pair_distance: 5.58782526 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 20 pair_distance: 7.40904943 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3103, 3104, 3105, 3106 ] - atom: 21 pair_distance: 7.97240624 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 22 pair_distance: 9.56429201 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3113, 3114, 3115, 3116 ] - atom: 23 pair_distance: 5.97016257 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3117, 3118, 3119, 3120 ] - atom: 25 pair_distance: 5.77467663 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3121, 3122, 3123, 3124, 3125, 3126 ] - atom: 26 pair_distance: 7.82708825 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3127, 3128, 3129, 3130 ] - atom: 27 pair_distance: 2.33033687 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3131, 3132, 3133, 3134 ] - atom: 29 pair_distance: 6.14539991 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3135, 3136, 3137, 3138 ] - atom: 30 pair_distance: 7.83812237 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3139, 3140, 3141, 3142, 3143, 3144 ] - atom: 32 pair_distance: 9.22531217 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3145, 3146, 3147, 3148 ] - atom: 33 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3149, 3150, 3151, 3152, 3153, 3154 ] - atom: 34 pair_distance: 8.42930496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3155, 3156, 3157, 3158 ] - atom: 35 pair_distance: 3.90132563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3159, 3160, 3161, 3162 ] - atom: 37 pair_distance: 0.00000000 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3163, 3164, 3165, 3166 ] - atom: 38 pair_distance: 7.18238418 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3167, 3168, 3169, 3170, 3171, 3172 ] - atom: 40 pair_distance: 10.15742512 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3173, 3174, 3175, 3176 ] - atom: 41 pair_distance: 5.49675138 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3177, 3178, 3179, 3180 ] - atom: 42 pair_distance: 5.09588831 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 44 pair_distance: 4.66067374 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3187, 3188, 3189, 3190 ] - atom: 45 pair_distance: 3.88679018 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3191, 3192, 3193, 3194, 3195, 3196 ] - atom: 46 pair_distance: 3.29559400 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 47 pair_distance: 8.16662601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3203, 3204, 3205, 3206, 3207, 3208 ] - atom: 48 pair_distance: 7.90237827 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3209, 3210, 3211, 3212, 3213, 3214 ] - atom: 49 pair_distance: 3.62761316 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3215, 3216, 3217, 3218 ] - atom: 50 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3219, 3220, 3221, 3222, 3223, 3224 ] - atom: 52 pair_distance: 7.77817599 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3225, 3226, 3227, 3228 ] - atom: 57 pair_distance: 3.62761316 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3229, 3230, 3231, 3232 ] - atom: 58 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3233, 3234, 3235, 3236, 3237, 3238 ] - atom: 60 pair_distance: 7.77817599 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3239, 3240, 3241, 3242 ] - atom: 61 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3243, 3244, 3245, 3246 ] - atom: 62 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 64 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3253, 3254, 3255, 3256 ] - atom: 65 pair_distance: 5.51245205 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3257, 3258, 3259, 3260 ] - atom: 66 pair_distance: 8.81632418 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3261, 3262, 3263, 3264, 3265, 3266 ] - atom: 68 pair_distance: 11.18338127 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3267, 3268, 3269, 3270 ] - atom: 69 pair_distance: 6.57239758 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3271, 3272, 3273, 3274, 3275, 3276 ] - atom: 70 pair_distance: 9.51508563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 71 pair_distance: 6.57239758 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3283, 3284, 3285, 3286, 3287, 3288 ] - atom: 72 pair_distance: 9.51508563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3289, 3290, 3291, 3292, 3293, 3294 ] - atom: 73 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3295, 3296, 3297, 3298, 3299, 3300 ] - atom: 74 pair_distance: 8.42930496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3301, 3302, 3303, 3304 ] - atom: 75 pair_distance: 3.90132563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3305, 3306, 3307, 3308 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_id: 20 paired_with: - atom: 1 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3309, 3310, 3311, 3312, 3313, 3314 ] - atom: 2 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3315, 3316, 3317, 3318, 3319, 3320 ] - atom: 3 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 4 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3327, 3328, 3329, 3330, 3331, 3332 ] - atom: 9 pair_distance: 6.47777219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3333, 3334, 3335, 3336, 3337, 3338 ] - atom: 10 pair_distance: 8.10134277 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3339, 3340, 3341, 3342, 3343, 3344 ] - atom: 11 pair_distance: 3.74768091 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3345, 3346, 3347, 3348, 3349, 3350 ] - atom: 12 pair_distance: 6.14128117 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 17 pair_distance: 2.74837569 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3357, 3358, 3359, 3360 ] - atom: 18 pair_distance: 5.58782526 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 20 pair_distance: 7.40904943 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3367, 3368, 3369, 3370 ] - atom: 21 pair_distance: 7.97240624 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 22 pair_distance: 9.56429201 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3377, 3378, 3379, 3380 ] - atom: 23 pair_distance: 5.97016257 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3381, 3382, 3383, 3384 ] - atom: 25 pair_distance: 5.77467663 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3385, 3386, 3387, 3388, 3389, 3390 ] - atom: 26 pair_distance: 7.82708825 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3391, 3392, 3393, 3394 ] - atom: 27 pair_distance: 2.33033687 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3395, 3396, 3397, 3398 ] - atom: 29 pair_distance: 6.14539991 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3399, 3400, 3401, 3402 ] - atom: 30 pair_distance: 7.83812237 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3403, 3404, 3405, 3406, 3407, 3408 ] - atom: 32 pair_distance: 9.22531217 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3409, 3410, 3411, 3412 ] - atom: 33 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3413, 3414, 3415, 3416, 3417, 3418 ] - atom: 34 pair_distance: 8.42930496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3419, 3420, 3421, 3422 ] - atom: 35 pair_distance: 3.90132563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3423, 3424, 3425, 3426 ] - atom: 37 pair_distance: 0.00000000 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3427, 3428, 3429, 3430 ] - atom: 38 pair_distance: 7.18238418 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 40 pair_distance: 10.15742512 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3437, 3438, 3439, 3440 ] - atom: 41 pair_distance: 5.49675138 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3441, 3442, 3443, 3444 ] - atom: 42 pair_distance: 5.09588831 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3445, 3446, 3447, 3448, 3449, 3450 ] - atom: 44 pair_distance: 4.66067374 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3451, 3452, 3453, 3454 ] - atom: 45 pair_distance: 3.88679018 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3455, 3456, 3457, 3458, 3459, 3460 ] - atom: 46 pair_distance: 3.29559400 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 47 pair_distance: 8.16662601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 48 pair_distance: 7.90237827 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3473, 3474, 3475, 3476, 3477, 3478 ] - atom: 49 pair_distance: 3.62761316 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3479, 3480, 3481, 3482 ] - atom: 50 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3483, 3484, 3485, 3486, 3487, 3488 ] - atom: 52 pair_distance: 7.77817599 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3489, 3490, 3491, 3492 ] - atom: 57 pair_distance: 3.62761316 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3493, 3494, 3495, 3496 ] - atom: 58 pair_distance: 6.06875601 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 60 pair_distance: 7.77817599 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3503, 3504, 3505, 3506 ] - atom: 61 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3507, 3508, 3509, 3510 ] - atom: 62 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3511, 3512, 3513, 3514, 3515, 3516 ] - atom: 64 pair_distance: 7.48369510 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3517, 3518, 3519, 3520 ] - atom: 65 pair_distance: 5.51245205 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3521, 3522, 3523, 3524 ] - atom: 66 pair_distance: 8.81632418 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3525, 3526, 3527, 3528, 3529, 3530 ] - atom: 68 pair_distance: 11.18338127 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3531, 3532, 3533, 3534 ] - atom: 69 pair_distance: 6.57239758 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3535, 3536, 3537, 3538, 3539, 3540 ] - atom: 70 pair_distance: 9.51508563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3541, 3542, 3543, 3544, 3545, 3546 ] - atom: 71 pair_distance: 6.57239758 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3547, 3548, 3549, 3550, 3551, 3552 ] - atom: 72 pair_distance: 9.51508563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3553, 3554, 3555, 3556, 3557, 3558 ] - atom: 73 pair_distance: 6.56785824 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3559, 3560, 3561, 3562, 3563, 3564 ] - atom: 74 pair_distance: 8.42930496 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3565, 3566, 3567, 3568 ] - atom: 75 pair_distance: 3.90132563 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3569, 3570, 3571, 3572 ]displacement_pair_info: number_of_singles: 20 number_of_pairs: 3552 duplicated_supercell_ids: # 0 means perfect supercell - [ 1135, 579 ] - [ 1219, 580 ] - [ 1136, 719 ] - [ 1220, 720 ] - [ 1301, 105 ] - [ 1453, 106 ] - [ 1302, 369 ] - [ 1454, 370 ] - [ 1607, 595 ] - [ 1691, 596 ] - [ 1608, 735 ] - [ 1692, 736 ] - [ 1773, 133 ] - [ 2037, 134 ] - [ 1774, 397 ] - [ 2038, 398 ] - [ 2303, 611 ] - [ 2387, 612 ] - [ 2304, 751 ] - [ 2388, 752 ] - [ 2469, 145 ] - [ 2757, 146 ] - [ 3045, 149 ] - [ 3309, 150 ] - [ 2470, 409 ] - [ 2758, 410 ] - [ 3046, 413 ] - [ 3310, 414 ] - [ 2473, 617 ] - [ 2761, 618 ] - [ 3049, 621 ] - [ 3313, 622 ] - [ 2474, 757 ] - [ 2762, 758 ] - [ 3050, 761 ] - [ 3314, 762 ] - [ 1623, 1161 ] - [ 1707, 1162 ] - [ 1624, 1245 ] - [ 1708, 1246 ] - [ 1829, 889 ] - [ 2093, 890 ] - [ 2317, 893 ] - [ 2401, 894 ] - [ 1830, 1041 ] - [ 2094, 1042 ] - [ 2318, 1045 ] - [ 2402, 1046 ] - [ 1833, 1169 ] - [ 2097, 1170 ] - [ 2319, 1171 ] - [ 2403, 1172 ] - [ 1834, 1253 ] - [ 2098, 1254 ] - [ 2320, 1255 ] - [ 2404, 1256 ] - [ 3095, 1175 ] - [ 3359, 1176 ] - [ 3096, 1259 ] - [ 3360, 1260 ] - [ 3125, 1651 ] - [ 3389, 1652 ] - [ 3126, 1735 ] - [ 3390, 1736 ] - [ 2581, 1901 ] - [ 2869, 1902 ] - [ 3149, 1905 ] - [ 3413, 1906 ] - [ 2582, 2165 ] - [ 2870, 2166 ] - [ 3150, 2169 ] - [ 3414, 2170 ] - [ 2585, 2343 ] - [ 2873, 2344 ] - [ 3153, 2347 ] - [ 3417, 2348 ] - [ 2586, 2427 ] - [ 2874, 2428 ] - [ 3154, 2431 ] - [ 3418, 2432 ] - [ 3430, 0 ] - [ 3166, 0 ] - [ 3429, 0 ] - [ 3165, 0 ]