# Fileset [phono3py_mlp_eval_fc3_disp.yaml.xz](https://mdr.nims.go.jp/filesets/15f6541b-9575-47ef-950e-3f019286ce91/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 Cs3Mg2Cl7 / I4/mmm (139) / materials id 568137](https://mdr.nims.go.jp/datasets/c68d43a7-279c-47e6-b78d-0f33c00e7a87) ## 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: - [ -2.523066595000000, 2.523066595000000, 13.377323475000001 ] # a - [ 2.523066595000000, -2.523066595000000, 13.377323475000001 ] # b - [ 2.523066595000000, 2.523066595000000, -13.377323475000001 ] # c points: - symbol: Cs # 1 coordinates: [ 0.817065156423991, 0.817065156423991, 0.000000000000000 ] mass: 132.905452 - symbol: Cs # 2 coordinates: [ 0.182934843576009, 0.182934843576009, 0.000000000000000 ] mass: 132.905452 - symbol: Cs # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 132.905452 - symbol: Mg # 4 coordinates: [ 0.594947818141895, 0.594947818141895, 0.000000000000000 ] mass: 24.305000 - symbol: Mg # 5 coordinates: [ 0.405052181858105, 0.405052181858105, 0.000000000000000 ] mass: 24.305000 - symbol: Cl # 6 coordinates: [ 0.593153880308188, 0.093153880308188, 0.500000000000000 ] mass: 35.453000 - symbol: Cl # 7 coordinates: [ 0.687261556319590, 0.687261556319590, 0.000000000000000 ] mass: 35.453000 - symbol: Cl # 8 coordinates: [ 0.093153880308188, 0.593153880308188, 0.500000000000000 ] mass: 35.453000 - symbol: Cl # 9 coordinates: [ 0.906846119691812, 0.406846119691812, 0.500000000000000 ] mass: 35.453000 - symbol: Cl # 10 coordinates: [ 0.312738443680410, 0.312738443680410, 0.000000000000000 ] mass: 35.453000 - symbol: Cl # 11 coordinates: [ 0.406846119691812, 0.906846119691812, 0.500000000000000 ] mass: 35.453000 - symbol: Cl # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 35.453000 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.198171542911653, 0.037376684576284 ] # a* - [ 0.198171542911653, 0.000000000000000, 0.037376684576284 ] # b* - [ 0.198171542911653, 0.198171542911653, 0.000000000000000 ] # c*unit_cell: lattice: - [ 5.046133190000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.046133190000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 26.754646950000001 ] # c points: - symbol: Cs # 1 coordinates: [ 0.500000000000000, 0.500000000000000, 0.317065156423991 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.182934843576009 ] mass: 132.905452 reduced_to: 2 - symbol: Cs # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.817065156423991 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 5 coordinates: [ 0.500000000000000, 0.500000000000000, 0.682934843576009 ] mass: 132.905452 reduced_to: 2 - symbol: Cs # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 3 - symbol: Mg # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.094947818141895 ] mass: 24.305000 reduced_to: 7 - symbol: Mg # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.405052181858105 ] mass: 24.305000 reduced_to: 8 - symbol: Mg # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.594947818141895 ] mass: 24.305000 reduced_to: 7 - symbol: Mg # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.905052181858105 ] mass: 24.305000 reduced_to: 8 - symbol: Cl # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.093153880308188 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.187261556319590 ] mass: 35.453000 reduced_to: 12 - symbol: Cl # 13 coordinates: [ 0.500000000000000, 0.000000000000000, 0.093153880308188 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 14 coordinates: [ 0.000000000000000, 0.500000000000000, 0.406846119691812 ] mass: 35.453000 reduced_to: 14 - symbol: Cl # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.312738443680410 ] mass: 35.453000 reduced_to: 15 - symbol: Cl # 16 coordinates: [ 0.500000000000000, 0.000000000000000, 0.406846119691812 ] mass: 35.453000 reduced_to: 16 - symbol: Cl # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.593153880308188 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.687261556319590 ] mass: 35.453000 reduced_to: 12 - symbol: Cl # 20 coordinates: [ 0.000000000000000, 0.500000000000000, 0.593153880308188 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 21 coordinates: [ 0.500000000000000, 0.000000000000000, 0.906846119691812 ] mass: 35.453000 reduced_to: 14 - symbol: Cl # 22 coordinates: [ 0.500000000000000, 0.500000000000000, 0.812738443680410 ] mass: 35.453000 reduced_to: 15 - symbol: Cl # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.906846119691812 ] mass: 35.453000 reduced_to: 16 - symbol: Cl # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 17supercell: lattice: - [ 10.092266380000002, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.092266380000002, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 26.754646950000001 ] # c points: - symbol: Cs # 1 coordinates: [ 0.250000000000000, 0.250000000000000, 0.317065156423991 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.750000000000000, 0.250000000000000, 0.317065156423991 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 3 coordinates: [ 0.250000000000000, 0.750000000000000, 0.317065156423991 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 4 coordinates: [ 0.750000000000000, 0.750000000000000, 0.317065156423991 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.182934843576009 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.182934843576009 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.182934843576009 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.182934843576009 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.817065156423991 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 14 coordinates: [ 0.500000000000000, 0.000000000000000, 0.817065156423991 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.817065156423991 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.817065156423991 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 17 coordinates: [ 0.250000000000000, 0.250000000000000, 0.682934843576009 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 18 coordinates: [ 0.750000000000000, 0.250000000000000, 0.682934843576009 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 19 coordinates: [ 0.250000000000000, 0.750000000000000, 0.682934843576009 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 20 coordinates: [ 0.750000000000000, 0.750000000000000, 0.682934843576009 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 21 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 22 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 23 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 24 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Mg # 25 coordinates: [ 0.250000000000000, 0.250000000000000, 0.094947818141895 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 26 coordinates: [ 0.750000000000000, 0.250000000000000, 0.094947818141895 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 27 coordinates: [ 0.250000000000000, 0.750000000000000, 0.094947818141895 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 28 coordinates: [ 0.750000000000000, 0.750000000000000, 0.094947818141895 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.405052181858105 ] mass: 24.305000 reduced_to: 29 - symbol: Mg # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.405052181858105 ] mass: 24.305000 reduced_to: 29 - symbol: Mg # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.405052181858105 ] mass: 24.305000 reduced_to: 29 - symbol: Mg # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.405052181858105 ] mass: 24.305000 reduced_to: 29 - symbol: Mg # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.594947818141895 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 34 coordinates: [ 0.500000000000000, 0.000000000000000, 0.594947818141895 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 35 coordinates: [ 0.000000000000000, 0.500000000000000, 0.594947818141895 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 36 coordinates: [ 0.500000000000000, 0.500000000000000, 0.594947818141895 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 37 coordinates: [ 0.250000000000000, 0.250000000000000, 0.905052181858105 ] mass: 24.305000 reduced_to: 29 - symbol: Mg # 38 coordinates: [ 0.750000000000000, 0.250000000000000, 0.905052181858105 ] mass: 24.305000 reduced_to: 29 - symbol: Mg # 39 coordinates: [ 0.250000000000000, 0.750000000000000, 0.905052181858105 ] mass: 24.305000 reduced_to: 29 - symbol: Mg # 40 coordinates: [ 0.750000000000000, 0.750000000000000, 0.905052181858105 ] mass: 24.305000 reduced_to: 29 - symbol: Cl # 41 coordinates: [ 0.000000000000000, 0.250000000000000, 0.093153880308188 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 42 coordinates: [ 0.500000000000000, 0.250000000000000, 0.093153880308188 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 43 coordinates: [ 0.000000000000000, 0.750000000000000, 0.093153880308188 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 44 coordinates: [ 0.500000000000000, 0.750000000000000, 0.093153880308188 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 45 coordinates: [ 0.250000000000000, 0.250000000000000, 0.187261556319590 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.750000000000000, 0.250000000000000, 0.187261556319590 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 47 coordinates: [ 0.250000000000000, 0.750000000000000, 0.187261556319590 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 48 coordinates: [ 0.750000000000000, 0.750000000000000, 0.187261556319590 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 49 coordinates: [ 0.250000000000000, 0.000000000000000, 0.093153880308188 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 50 coordinates: [ 0.750000000000000, 0.000000000000000, 0.093153880308188 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 51 coordinates: [ 0.250000000000000, 0.500000000000000, 0.093153880308188 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 52 coordinates: [ 0.750000000000000, 0.500000000000000, 0.093153880308188 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 53 coordinates: [ 0.000000000000000, 0.250000000000000, 0.406846119691812 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 54 coordinates: [ 0.500000000000000, 0.250000000000000, 0.406846119691812 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 55 coordinates: [ 0.000000000000000, 0.750000000000000, 0.406846119691812 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 56 coordinates: [ 0.500000000000000, 0.750000000000000, 0.406846119691812 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 57 coordinates: [ 0.000000000000000, 0.000000000000000, 0.312738443680410 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 58 coordinates: [ 0.500000000000000, 0.000000000000000, 0.312738443680410 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 59 coordinates: [ 0.000000000000000, 0.500000000000000, 0.312738443680410 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 60 coordinates: [ 0.500000000000000, 0.500000000000000, 0.312738443680410 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 61 coordinates: [ 0.250000000000000, 0.000000000000000, 0.406846119691812 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 62 coordinates: [ 0.750000000000000, 0.000000000000000, 0.406846119691812 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 63 coordinates: [ 0.250000000000000, 0.500000000000000, 0.406846119691812 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 64 coordinates: [ 0.750000000000000, 0.500000000000000, 0.406846119691812 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 65 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 66 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 67 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 68 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 69 coordinates: [ 0.250000000000000, 0.000000000000000, 0.593153880308188 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 70 coordinates: [ 0.750000000000000, 0.000000000000000, 0.593153880308188 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 71 coordinates: [ 0.250000000000000, 0.500000000000000, 0.593153880308188 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 72 coordinates: [ 0.750000000000000, 0.500000000000000, 0.593153880308188 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.687261556319590 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.687261556319590 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.687261556319590 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 76 coordinates: [ 0.500000000000000, 0.500000000000000, 0.687261556319590 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 77 coordinates: [ 0.000000000000000, 0.250000000000000, 0.593153880308188 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 78 coordinates: [ 0.500000000000000, 0.250000000000000, 0.593153880308188 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 79 coordinates: [ 0.000000000000000, 0.750000000000000, 0.593153880308188 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 80 coordinates: [ 0.500000000000000, 0.750000000000000, 0.593153880308188 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 81 coordinates: [ 0.250000000000000, 0.000000000000000, 0.906846119691812 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 82 coordinates: [ 0.750000000000000, 0.000000000000000, 0.906846119691812 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 83 coordinates: [ 0.250000000000000, 0.500000000000000, 0.906846119691812 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 84 coordinates: [ 0.750000000000000, 0.500000000000000, 0.906846119691812 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 85 coordinates: [ 0.250000000000000, 0.250000000000000, 0.812738443680410 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 86 coordinates: [ 0.750000000000000, 0.250000000000000, 0.812738443680410 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 87 coordinates: [ 0.250000000000000, 0.750000000000000, 0.812738443680410 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 88 coordinates: [ 0.750000000000000, 0.750000000000000, 0.812738443680410 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 89 coordinates: [ 0.000000000000000, 0.250000000000000, 0.906846119691812 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 90 coordinates: [ 0.500000000000000, 0.250000000000000, 0.906846119691812 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 91 coordinates: [ 0.000000000000000, 0.750000000000000, 0.906846119691812 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 92 coordinates: [ 0.500000000000000, 0.750000000000000, 0.906846119691812 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 94 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 65nac: born_effective_charge: - # 1 (Cs) - [ 1.307948260000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.307948260000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.371894010833333 ] - # 2 (Cs) - [ 1.307948260000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.307948260000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.371894010833333 ] - # 3 (Cs) - [ 1.371899490000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.371899490000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.246863140833333 ] - # 4 (Mg) - [ 2.326731830000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.326731830000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.090887650833333 ] - # 5 (Mg) - [ 2.326731830000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.326731830000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.090887650833333 ] - # 6 (Cl) - [ -1.806448670000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.966475200000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.864397239166666 ] - # 7 (Cl) - [ -1.078267240000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.078267240000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.501983779166667 ] - # 8 (Cl) - [ -0.966475200000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.806448670000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.864397239166666 ] - # 9 (Cl) - [ -0.966475200000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.806448670000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.864397239166666 ] - # 10 (Cl) - [ -1.078267240000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.078267240000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.501983779166667 ] - # 11 (Cl) - [ -1.806448670000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.966475200000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.864397239166666 ] - # 12 (Cl) - [ -0.938877449999999, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.938877449999999, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.710869949166667 ] dielectric_constant: - [ 2.928927440000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.928927440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.876864430000000 ] 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: [ 27, 28, 29, 30 ] - atom: 2 pair_distance: 5.04613319 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: [ 31, 32, 33, 34 ] - atom: 3 pair_distance: 5.04613319 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: [ 35, 36, 37, 38 ] - atom: 4 pair_distance: 7.13630999 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: [ 39, 40, 41, 42 ] - atom: 5 pair_distance: 5.06061714 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 6 pair_distance: 5.06061714 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 9 pair_distance: 9.20284998 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 10 pair_distance: 9.20284998 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 61, 62, 63, 64, 65, 66 ] - atom: 13 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 67, 68, 69, 70, 71, 72 ] - atom: 14 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 73, 74, 75, 76, 77, 78 ] - atom: 17 pair_distance: 9.78871431 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: [ 79, 80, 81, 82 ] - atom: 18 pair_distance: 11.01282834 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: [ 83, 84, 85, 86 ] - atom: 19 pair_distance: 11.01282834 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: [ 87, 88, 89, 90 ] - atom: 20 pair_distance: 12.11387007 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: [ 91, 92, 93, 94 ] - atom: 21 pair_distance: 4.89435715 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: [ 95, 96, 97, 98 ] - atom: 22 pair_distance: 7.02980740 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: [ 99, 100, 101, 102 ] - atom: 23 pair_distance: 7.02980740 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: [ 103, 104, 105, 106 ] - atom: 24 pair_distance: 8.65341853 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: [ 107, 108, 109, 110 ] - atom: 25 pair_distance: 5.94267097 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: [ 111, 112, 113, 114 ] - atom: 26 pair_distance: 7.79607583 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: [ 115, 116, 117, 118 ] - atom: 27 pair_distance: 7.79607583 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: [ 119, 120, 121, 122 ] - atom: 28 pair_distance: 9.28667102 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: [ 123, 124, 125, 126 ] - atom: 29 pair_distance: 4.27473240 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 127, 128, 129, 130, 131, 132 ] - atom: 30 pair_distance: 4.27473240 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 33 pair_distance: 8.24656219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 34 pair_distance: 8.24656219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 145, 146, 147, 148, 149, 150 ] - atom: 37 pair_distance: 11.02326167 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: [ 151, 152, 153, 154 ] - atom: 38 pair_distance: 12.12335589 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: [ 155, 156, 157, 158 ] - atom: 39 pair_distance: 12.12335589 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: [ 159, 160, 161, 162 ] - atom: 40 pair_distance: 13.13161141 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: [ 163, 164, 165, 166 ] - atom: 41 pair_distance: 6.50030444 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: [ 167, 168, 169, 170 ] - atom: 42 pair_distance: 6.50030444 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: [ 171, 172, 173, 174 ] - atom: 43 pair_distance: 8.22905936 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: [ 175, 176, 177, 178 ] - atom: 44 pair_distance: 8.22905936 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: [ 179, 180, 181, 182 ] - atom: 45 pair_distance: 3.47284949 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: [ 183, 184, 185, 186 ] - atom: 46 pair_distance: 6.12569537 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: [ 187, 188, 189, 190 ] - atom: 47 pair_distance: 6.12569537 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: [ 191, 192, 193, 194 ] - atom: 48 pair_distance: 7.93647302 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: [ 195, 196, 197, 198 ] - atom: 49 pair_distance: 6.50030444 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 199, 200, 201, 202, 203, 204 ] - atom: 50 pair_distance: 8.22905936 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 205, 206, 207, 208, 209, 210 ] - atom: 53 pair_distance: 3.48363999 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: [ 211, 212, 213, 214 ] - atom: 54 pair_distance: 3.48363999 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: [ 215, 216, 217, 218 ] - atom: 55 pair_distance: 6.13181928 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: [ 219, 220, 221, 222 ] - atom: 56 pair_distance: 6.13181928 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: [ 223, 224, 225, 226 ] - atom: 57 pair_distance: 3.57003227 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 227, 228, 229, 230, 231, 232 ] - atom: 58 pair_distance: 3.57003227 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 233, 234, 235, 236, 237, 238 ] - atom: 61 pair_distance: 3.48363999 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 239, 240, 241, 242, 243, 244 ] - atom: 62 pair_distance: 6.13181928 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 245, 246, 247, 248, 249, 250 ] - atom: 65 pair_distance: 8.48296632 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: [ 251, 252, 253, 254 ] - atom: 66 pair_distance: 9.87036867 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: [ 255, 256, 257, 258 ] - atom: 67 pair_distance: 9.87036867 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: [ 259, 260, 261, 262 ] - atom: 68 pair_distance: 11.08546968 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: [ 263, 264, 265, 266 ] - atom: 69 pair_distance: 7.80567466 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 70 pair_distance: 9.29473060 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 73 pair_distance: 10.52759873 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 74 pair_distance: 10.52759873 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 285, 286, 287, 288, 289, 290 ] - atom: 77 pair_distance: 7.80567466 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: [ 291, 292, 293, 294 ] - atom: 78 pair_distance: 7.80567466 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: [ 295, 296, 297, 298 ] - atom: 79 pair_distance: 9.29473060 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: [ 299, 300, 301, 302 ] - atom: 80 pair_distance: 9.29473060 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: [ 303, 304, 305, 306 ] - atom: 81 pair_distance: 11.26154154 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 307, 308, 309, 310, 311, 312 ] - atom: 82 pair_distance: 12.34041239 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 85 pair_distance: 13.26156380 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: [ 319, 320, 321, 322 ] - atom: 86 pair_distance: 14.18916963 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: [ 323, 324, 325, 326 ] - atom: 87 pair_distance: 14.18916963 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: [ 327, 328, 329, 330 ] - atom: 88 pair_distance: 15.05974750 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: [ 331, 332, 333, 334 ] - atom: 89 pair_distance: 11.26154154 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: [ 335, 336, 337, 338 ] - atom: 90 pair_distance: 11.26154154 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: [ 339, 340, 341, 342 ] - atom: 91 pair_distance: 12.34041239 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: [ 343, 344, 345, 346 ] - atom: 92 pair_distance: 12.34041239 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: [ 347, 348, 349, 350 ] - atom: 93 pair_distance: 6.05693504 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 351, 352, 353, 354, 355, 356 ] - atom: 94 pair_distance: 6.05693504 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 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: [ 363, 364, 365, 366 ] - atom: 2 pair_distance: 5.04613319 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: [ 367, 368, 369, 370 ] - atom: 3 pair_distance: 5.04613319 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: [ 371, 372, 373, 374 ] - atom: 4 pair_distance: 7.13630999 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: [ 375, 376, 377, 378 ] - atom: 5 pair_distance: 5.06061714 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 379, 380, 381, 382, 383, 384 ] - atom: 6 pair_distance: 5.06061714 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 385, 386, 387, 388, 389, 390 ] - atom: 9 pair_distance: 9.20284998 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 391, 392, 393, 394, 395, 396 ] - atom: 10 pair_distance: 9.20284998 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 13 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 14 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 17 pair_distance: 9.78871431 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: [ 415, 416, 417, 418 ] - atom: 18 pair_distance: 11.01282834 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: [ 419, 420, 421, 422 ] - atom: 19 pair_distance: 11.01282834 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: [ 423, 424, 425, 426 ] - atom: 20 pair_distance: 12.11387007 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: [ 427, 428, 429, 430 ] - atom: 21 pair_distance: 4.89435715 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: [ 431, 432, 433, 434 ] - atom: 22 pair_distance: 7.02980740 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: [ 435, 436, 437, 438 ] - atom: 23 pair_distance: 7.02980740 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: [ 439, 440, 441, 442 ] - atom: 24 pair_distance: 8.65341853 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: [ 443, 444, 445, 446 ] - atom: 25 pair_distance: 5.94267097 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: [ 447, 448, 449, 450 ] - atom: 26 pair_distance: 7.79607583 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: [ 451, 452, 453, 454 ] - atom: 27 pair_distance: 7.79607583 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: [ 455, 456, 457, 458 ] - atom: 28 pair_distance: 9.28667102 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: [ 459, 460, 461, 462 ] - atom: 29 pair_distance: 4.27473240 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 463, 464, 465, 466, 467, 468 ] - atom: 30 pair_distance: 4.27473240 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 469, 470, 471, 472, 473, 474 ] - atom: 33 pair_distance: 8.24656219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 475, 476, 477, 478, 479, 480 ] - atom: 34 pair_distance: 8.24656219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 481, 482, 483, 484, 485, 486 ] - atom: 37 pair_distance: 11.02326167 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: [ 487, 488, 489, 490 ] - atom: 38 pair_distance: 12.12335589 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: [ 491, 492, 493, 494 ] - atom: 39 pair_distance: 12.12335589 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: [ 495, 496, 497, 498 ] - atom: 40 pair_distance: 13.13161141 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: [ 499, 500, 501, 502 ] - atom: 41 pair_distance: 6.50030444 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: [ 503, 504, 505, 506 ] - atom: 42 pair_distance: 6.50030444 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: [ 507, 508, 509, 510 ] - atom: 43 pair_distance: 8.22905936 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: [ 511, 512, 513, 514 ] - atom: 44 pair_distance: 8.22905936 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: [ 515, 516, 517, 518 ] - atom: 45 pair_distance: 3.47284949 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: [ 519, 520, 521, 522 ] - atom: 46 pair_distance: 6.12569537 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: [ 523, 524, 525, 526 ] - atom: 47 pair_distance: 6.12569537 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: [ 527, 528, 529, 530 ] - atom: 48 pair_distance: 7.93647302 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: [ 531, 532, 533, 534 ] - atom: 49 pair_distance: 6.50030444 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 535, 536, 537, 538, 539, 540 ] - atom: 50 pair_distance: 8.22905936 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 541, 542, 543, 544, 545, 546 ] - atom: 53 pair_distance: 3.48363999 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: [ 547, 548, 549, 550 ] - atom: 54 pair_distance: 3.48363999 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: [ 551, 552, 553, 554 ] - atom: 55 pair_distance: 6.13181928 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: [ 555, 556, 557, 558 ] - atom: 56 pair_distance: 6.13181928 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: [ 559, 560, 561, 562 ] - atom: 57 pair_distance: 3.57003227 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 58 pair_distance: 3.57003227 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 569, 570, 571, 572, 573, 574 ] - atom: 61 pair_distance: 3.48363999 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 575, 576, 577, 578, 579, 580 ] - atom: 62 pair_distance: 6.13181928 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 581, 582, 583, 584, 585, 586 ] - atom: 65 pair_distance: 8.48296632 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: [ 587, 588, 589, 590 ] - atom: 66 pair_distance: 9.87036867 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: [ 591, 592, 593, 594 ] - atom: 67 pair_distance: 9.87036867 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: [ 595, 596, 597, 598 ] - atom: 68 pair_distance: 11.08546968 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: [ 599, 600, 601, 602 ] - atom: 69 pair_distance: 7.80567466 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 603, 604, 605, 606, 607, 608 ] - atom: 70 pair_distance: 9.29473060 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 609, 610, 611, 612, 613, 614 ] - atom: 73 pair_distance: 10.52759873 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 615, 616, 617, 618, 619, 620 ] - atom: 74 pair_distance: 10.52759873 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 621, 622, 623, 624, 625, 626 ] - atom: 77 pair_distance: 7.80567466 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: [ 627, 628, 629, 630 ] - atom: 78 pair_distance: 7.80567466 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: [ 631, 632, 633, 634 ] - atom: 79 pair_distance: 9.29473060 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: [ 635, 636, 637, 638 ] - atom: 80 pair_distance: 9.29473060 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: [ 639, 640, 641, 642 ] - atom: 81 pair_distance: 11.26154154 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 643, 644, 645, 646, 647, 648 ] - atom: 82 pair_distance: 12.34041239 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 649, 650, 651, 652, 653, 654 ] - atom: 85 pair_distance: 13.26156380 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: [ 655, 656, 657, 658 ] - atom: 86 pair_distance: 14.18916963 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: [ 659, 660, 661, 662 ] - atom: 87 pair_distance: 14.18916963 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: [ 663, 664, 665, 666 ] - atom: 88 pair_distance: 15.05974750 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: [ 667, 668, 669, 670 ] - atom: 89 pair_distance: 11.26154154 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: [ 671, 672, 673, 674 ] - atom: 90 pair_distance: 11.26154154 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: [ 675, 676, 677, 678 ] - atom: 91 pair_distance: 12.34041239 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: [ 679, 680, 681, 682 ] - atom: 92 pair_distance: 12.34041239 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: [ 683, 684, 685, 686 ] - atom: 93 pair_distance: 6.05693504 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 687, 688, 689, 690, 691, 692 ] - atom: 94 pair_distance: 6.05693504 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 693, 694, 695, 696, 697, 698 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_id: 3 paired_with: - atom: 1 pair_distance: 0.00000000 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 699, 700 ] - atom: 2 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 701, 702 ] - atom: 4 pair_distance: 7.13630999 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 703, 704 ] - atom: 5 pair_distance: 5.06061714 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: [ 705, 706, 707, 708 ] - atom: 9 pair_distance: 9.20284998 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: [ 709, 710, 711, 712 ] - atom: 13 pair_distance: 13.84501764 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: [ 713, 714, 715, 716 ] - atom: 17 pair_distance: 9.78871431 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 717, 718 ] - atom: 18 pair_distance: 11.01282834 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 719, 720 ] - atom: 20 pair_distance: 12.11387007 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 721, 722 ] - atom: 21 pair_distance: 4.89435715 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 723, 724 ] - atom: 22 pair_distance: 7.02980740 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 725, 726 ] - atom: 24 pair_distance: 8.65341853 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 727, 728 ] - atom: 25 pair_distance: 5.94267097 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 729, 730 ] - atom: 26 pair_distance: 7.79607583 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 731, 732 ] - atom: 28 pair_distance: 9.28667102 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 733, 734 ] - atom: 29 pair_distance: 4.27473240 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: [ 735, 736, 737, 738 ] - atom: 33 pair_distance: 8.24656219 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: [ 739, 740, 741, 742 ] - atom: 37 pair_distance: 11.02326167 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 743, 744 ] - atom: 38 pair_distance: 12.12335589 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 745, 746 ] - atom: 40 pair_distance: 13.13161141 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 747, 748 ] - atom: 41 pair_distance: 6.50030444 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: 43 pair_distance: 8.22905936 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: 45 pair_distance: 3.47284949 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 757, 758 ] - atom: 46 pair_distance: 6.12569537 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 759, 760 ] - atom: 48 pair_distance: 7.93647302 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 761, 762 ] - atom: 53 pair_distance: 3.48363999 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: [ 763, 764, 765, 766 ] - atom: 55 pair_distance: 6.13181928 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: [ 767, 768, 769, 770 ] - atom: 57 pair_distance: 3.57003227 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: [ 771, 772, 773, 774 ] - atom: 65 pair_distance: 8.48296632 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 775, 776 ] - atom: 66 pair_distance: 9.87036867 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 777, 778 ] - atom: 68 pair_distance: 11.08546968 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 779, 780 ] - atom: 69 pair_distance: 7.80567466 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: 70 pair_distance: 9.29473060 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: 73 pair_distance: 10.52759873 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: [ 789, 790, 791, 792 ] - atom: 81 pair_distance: 11.26154154 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: 82 pair_distance: 12.34041239 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: [ 797, 798, 799, 800 ] - atom: 85 pair_distance: 13.26156380 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 801, 802 ] - atom: 86 pair_distance: 14.18916963 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 803, 804 ] - atom: 88 pair_distance: 15.05974750 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 805, 806 ] - atom: 93 pair_distance: 6.05693504 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: [ 807, 808, 809, 810 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_id: 4 paired_with: - atom: 1 pair_distance: 0.00000000 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 811, 812 ] - atom: 2 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 813, 814 ] - atom: 4 pair_distance: 7.13630999 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 815, 816 ] - atom: 5 pair_distance: 5.06061714 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: [ 817, 818, 819, 820 ] - atom: 9 pair_distance: 9.20284998 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: [ 821, 822, 823, 824 ] - atom: 13 pair_distance: 13.84501764 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: [ 825, 826, 827, 828 ] - atom: 17 pair_distance: 9.78871431 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 829, 830 ] - atom: 18 pair_distance: 11.01282834 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 831, 832 ] - atom: 20 pair_distance: 12.11387007 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 833, 834 ] - atom: 21 pair_distance: 4.89435715 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 835, 836 ] - atom: 22 pair_distance: 7.02980740 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 837, 838 ] - atom: 24 pair_distance: 8.65341853 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 839, 840 ] - atom: 25 pair_distance: 5.94267097 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 841, 842 ] - atom: 26 pair_distance: 7.79607583 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 843, 844 ] - atom: 28 pair_distance: 9.28667102 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 845, 846 ] - atom: 29 pair_distance: 4.27473240 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: [ 847, 848, 849, 850 ] - atom: 33 pair_distance: 8.24656219 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: [ 851, 852, 853, 854 ] - atom: 37 pair_distance: 11.02326167 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 855, 856 ] - atom: 38 pair_distance: 12.12335589 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 857, 858 ] - atom: 40 pair_distance: 13.13161141 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 859, 860 ] - atom: 41 pair_distance: 6.50030444 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: [ 861, 862, 863, 864 ] - atom: 43 pair_distance: 8.22905936 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: [ 865, 866, 867, 868 ] - atom: 45 pair_distance: 3.47284949 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 869, 870 ] - atom: 46 pair_distance: 6.12569537 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 871, 872 ] - atom: 48 pair_distance: 7.93647302 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 873, 874 ] - atom: 53 pair_distance: 3.48363999 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: [ 875, 876, 877, 878 ] - atom: 55 pair_distance: 6.13181928 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: [ 879, 880, 881, 882 ] - atom: 57 pair_distance: 3.57003227 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: [ 883, 884, 885, 886 ] - atom: 65 pair_distance: 8.48296632 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 887, 888 ] - atom: 66 pair_distance: 9.87036867 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 889, 890 ] - atom: 68 pair_distance: 11.08546968 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 891, 892 ] - atom: 69 pair_distance: 7.80567466 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: [ 893, 894, 895, 896 ] - atom: 70 pair_distance: 9.29473060 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: [ 897, 898, 899, 900 ] - atom: 73 pair_distance: 10.52759873 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: [ 901, 902, 903, 904 ] - atom: 81 pair_distance: 11.26154154 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: [ 905, 906, 907, 908 ] - atom: 82 pair_distance: 12.34041239 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: [ 909, 910, 911, 912 ] - atom: 85 pair_distance: 13.26156380 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 913, 914 ] - atom: 86 pair_distance: 14.18916963 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 915, 916 ] - atom: 88 pair_distance: 15.05974750 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 917, 918 ] - atom: 93 pair_distance: 6.05693504 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: [ 919, 920, 921, 922 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 5 paired_with: - atom: 1 pair_distance: 9.20284998 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 923, 924, 925, 926, 927, 928 ] - atom: 2 pair_distance: 9.20284998 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 929, 930, 931, 932, 933, 934 ] - atom: 5 pair_distance: 4.89435715 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: [ 935, 936, 937, 938 ] - atom: 6 pair_distance: 7.02980740 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: [ 939, 940, 941, 942 ] - atom: 7 pair_distance: 7.02980740 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: [ 943, 944, 945, 946 ] - atom: 8 pair_distance: 8.65341853 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: [ 947, 948, 949, 950 ] - atom: 9 pair_distance: 0.00000000 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 951, 952 ] - atom: 10 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 953, 954 ] - atom: 11 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 955, 956 ] - atom: 12 pair_distance: 7.13630999 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 957, 958 ] - atom: 21 pair_distance: 13.84501764 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 959, 960, 961, 962 ] - atom: 22 pair_distance: 13.84501764 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 963, 964, 965, 966 ] - atom: 25 pair_distance: 4.38004915 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 967, 968, 969, 970, 971, 972 ] - atom: 26 pair_distance: 4.38004915 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 973, 974, 975, 976, 977, 978 ] - atom: 29 pair_distance: 10.83702812 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: [ 979, 980, 981, 982 ] - atom: 30 pair_distance: 11.95427282 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: [ 983, 984, 985, 986 ] - atom: 31 pair_distance: 11.95427282 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: [ 987, 988, 989, 990 ] - atom: 32 pair_distance: 12.97567335 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: [ 991, 992, 993, 994 ] - atom: 41 pair_distance: 3.54646588 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 995, 996, 997, 998, 999, 1000 ] - atom: 42 pair_distance: 6.16772895 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1001, 1002, 1003, 1004, 1005, 1006 ] - atom: 45 pair_distance: 6.15085366 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1007, 1008, 1009, 1010, 1011, 1012 ] - atom: 46 pair_distance: 6.15085366 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1013, 1014, 1015, 1016, 1017, 1018 ] - atom: 49 pair_distance: 3.54646588 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: [ 1019, 1020, 1021, 1022 ] - atom: 50 pair_distance: 3.54646588 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: [ 1023, 1024, 1025, 1026 ] - atom: 51 pair_distance: 6.16772895 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: [ 1027, 1028, 1029, 1030 ] - atom: 52 pair_distance: 6.16772895 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: [ 1031, 1032, 1033, 1034 ] - atom: 53 pair_distance: 11.17361262 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1035, 1036, 1037, 1038, 1039, 1040 ] - atom: 54 pair_distance: 12.26022345 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 57 pair_distance: 8.36720665 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: [ 1047, 1048, 1049, 1050 ] - atom: 58 pair_distance: 9.77105968 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: [ 1051, 1052, 1053, 1054 ] - atom: 59 pair_distance: 9.77105968 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: [ 1055, 1056, 1057, 1058 ] - atom: 60 pair_distance: 10.99713906 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: [ 1059, 1060, 1061, 1062 ] - atom: 61 pair_distance: 11.17361262 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: [ 1063, 1064, 1065, 1066 ] - atom: 62 pair_distance: 11.17361262 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: [ 1067, 1068, 1069, 1070 ] - atom: 63 pair_distance: 12.26022345 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: [ 1071, 1072, 1073, 1074 ] - atom: 64 pair_distance: 12.26022345 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: [ 1075, 1076, 1077, 1078 ] - atom: 65 pair_distance: 3.56815500 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1079, 1080, 1081, 1082 ] - atom: 66 pair_distance: 3.56815500 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1083, 1084, 1085, 1086 ] - atom: 93 pair_distance: 13.37732348 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1087, 1088 ] - atom: 94 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1089, 1090 ] - atom: 95 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1091, 1092 ] - atom: 96 pair_distance: 15.16178432 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1093, 1094 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 6 paired_with: - atom: 1 pair_distance: 9.20284998 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1095, 1096, 1097, 1098, 1099, 1100 ] - atom: 2 pair_distance: 9.20284998 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1101, 1102, 1103, 1104, 1105, 1106 ] - atom: 5 pair_distance: 4.89435715 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: [ 1107, 1108, 1109, 1110 ] - atom: 6 pair_distance: 7.02980740 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: [ 1111, 1112, 1113, 1114 ] - atom: 7 pair_distance: 7.02980740 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: [ 1115, 1116, 1117, 1118 ] - atom: 8 pair_distance: 8.65341853 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: [ 1119, 1120, 1121, 1122 ] - atom: 9 pair_distance: 0.00000000 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1123, 1124 ] - atom: 10 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1125, 1126 ] - atom: 11 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1127, 1128 ] - atom: 12 pair_distance: 7.13630999 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1129, 1130 ] - atom: 21 pair_distance: 13.84501764 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1131, 1132, 1133, 1134 ] - atom: 22 pair_distance: 13.84501764 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1135, 1136, 1137, 1138 ] - atom: 25 pair_distance: 4.38004915 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1139, 1140, 1141, 1142, 1143, 1144 ] - atom: 26 pair_distance: 4.38004915 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1145, 1146, 1147, 1148, 1149, 1150 ] - atom: 29 pair_distance: 10.83702812 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: [ 1151, 1152, 1153, 1154 ] - atom: 30 pair_distance: 11.95427282 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: [ 1155, 1156, 1157, 1158 ] - atom: 31 pair_distance: 11.95427282 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: [ 1159, 1160, 1161, 1162 ] - atom: 32 pair_distance: 12.97567335 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: [ 1163, 1164, 1165, 1166 ] - atom: 41 pair_distance: 3.54646588 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1167, 1168, 1169, 1170, 1171, 1172 ] - atom: 42 pair_distance: 6.16772895 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1173, 1174, 1175, 1176, 1177, 1178 ] - atom: 45 pair_distance: 6.15085366 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1179, 1180, 1181, 1182, 1183, 1184 ] - atom: 46 pair_distance: 6.15085366 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1185, 1186, 1187, 1188, 1189, 1190 ] - atom: 49 pair_distance: 3.54646588 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: [ 1191, 1192, 1193, 1194 ] - atom: 50 pair_distance: 3.54646588 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: [ 1195, 1196, 1197, 1198 ] - atom: 51 pair_distance: 6.16772895 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: [ 1199, 1200, 1201, 1202 ] - atom: 52 pair_distance: 6.16772895 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: [ 1203, 1204, 1205, 1206 ] - atom: 53 pair_distance: 11.17361262 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1207, 1208, 1209, 1210, 1211, 1212 ] - atom: 54 pair_distance: 12.26022345 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1213, 1214, 1215, 1216, 1217, 1218 ] - atom: 57 pair_distance: 8.36720665 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: [ 1219, 1220, 1221, 1222 ] - atom: 58 pair_distance: 9.77105968 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: [ 1223, 1224, 1225, 1226 ] - atom: 59 pair_distance: 9.77105968 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: [ 1227, 1228, 1229, 1230 ] - atom: 60 pair_distance: 10.99713906 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: [ 1231, 1232, 1233, 1234 ] - atom: 61 pair_distance: 11.17361262 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: [ 1235, 1236, 1237, 1238 ] - atom: 62 pair_distance: 11.17361262 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: [ 1239, 1240, 1241, 1242 ] - atom: 63 pair_distance: 12.26022345 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: [ 1243, 1244, 1245, 1246 ] - atom: 64 pair_distance: 12.26022345 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: [ 1247, 1248, 1249, 1250 ] - atom: 65 pair_distance: 3.56815500 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1251, 1252, 1253, 1254 ] - atom: 66 pair_distance: 3.56815500 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 1255, 1256, 1257, 1258 ] - atom: 93 pair_distance: 13.37732348 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1259, 1260 ] - atom: 94 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1261, 1262 ] - atom: 95 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1263, 1264 ] - atom: 96 pair_distance: 15.16178432 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1265, 1266 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_id: 7 paired_with: - atom: 1 pair_distance: 9.20284998 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: 5 pair_distance: 4.89435715 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1271, 1272 ] - atom: 6 pair_distance: 7.02980740 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1273, 1274 ] - atom: 8 pair_distance: 8.65341853 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1275, 1276 ] - atom: 9 pair_distance: 0.00000000 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1277, 1278 ] - atom: 10 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1279, 1280 ] - atom: 12 pair_distance: 7.13630999 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1281, 1282 ] - atom: 13 pair_distance: 4.89435715 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1283, 1284 ] - atom: 14 pair_distance: 7.02980740 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1285, 1286 ] - atom: 16 pair_distance: 8.65341853 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1287, 1288 ] - atom: 17 pair_distance: 9.20284998 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: [ 1289, 1290, 1291, 1292 ] - atom: 21 pair_distance: 13.84501764 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: 25 pair_distance: 4.38004915 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: 29 pair_distance: 10.83702812 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1301, 1302 ] - atom: 30 pair_distance: 11.95427282 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1303, 1304 ] - atom: 32 pair_distance: 12.97567335 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1305, 1306 ] - atom: 33 pair_distance: 10.83702812 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1307, 1308 ] - atom: 34 pair_distance: 11.95427282 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1309, 1310 ] - atom: 36 pair_distance: 12.97567335 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1311, 1312 ] - atom: 37 pair_distance: 4.38004915 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: [ 1313, 1314, 1315, 1316 ] - atom: 41 pair_distance: 3.54646588 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: 42 pair_distance: 6.16772895 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: 45 pair_distance: 6.15085366 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: [ 1325, 1326, 1327, 1328 ] - atom: 53 pair_distance: 11.17361262 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: [ 1329, 1330, 1331, 1332 ] - atom: 54 pair_distance: 12.26022345 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: [ 1333, 1334, 1335, 1336 ] - atom: 57 pair_distance: 8.36720665 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1337, 1338 ] - atom: 58 pair_distance: 9.77105968 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1339, 1340 ] - atom: 60 pair_distance: 10.99713906 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1341, 1342 ] - atom: 65 pair_distance: 3.56815500 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: [ 1343, 1344, 1345, 1346 ] - atom: 69 pair_distance: 11.17361262 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: [ 1347, 1348, 1349, 1350 ] - atom: 71 pair_distance: 12.26022345 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: [ 1351, 1352, 1353, 1354 ] - atom: 73 pair_distance: 8.36720665 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1355, 1356 ] - atom: 74 pair_distance: 9.77105968 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1357, 1358 ] - atom: 76 pair_distance: 10.99713906 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1359, 1360 ] - atom: 81 pair_distance: 3.54646588 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: 83 pair_distance: 6.16772895 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: 85 pair_distance: 6.15085366 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: [ 1369, 1370, 1371, 1372 ] - atom: 93 pair_distance: 13.37732348 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1373, 1374 ] - atom: 94 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1375, 1376 ] - atom: 96 pair_distance: 15.16178432 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1377, 1378 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_id: 8 paired_with: - atom: 1 pair_distance: 9.20284998 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: [ 1379, 1380, 1381, 1382 ] - atom: 5 pair_distance: 4.89435715 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1383, 1384 ] - atom: 6 pair_distance: 7.02980740 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1385, 1386 ] - atom: 8 pair_distance: 8.65341853 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1387, 1388 ] - atom: 9 pair_distance: 0.00000000 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1389, 1390 ] - atom: 10 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1391, 1392 ] - atom: 12 pair_distance: 7.13630999 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1393, 1394 ] - atom: 13 pair_distance: 4.89435715 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1395, 1396 ] - atom: 14 pair_distance: 7.02980740 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1397, 1398 ] - atom: 16 pair_distance: 8.65341853 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1399, 1400 ] - atom: 17 pair_distance: 9.20284998 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: [ 1401, 1402, 1403, 1404 ] - atom: 21 pair_distance: 13.84501764 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: [ 1405, 1406, 1407, 1408 ] - atom: 25 pair_distance: 4.38004915 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1409, 1410, 1411, 1412 ] - atom: 29 pair_distance: 10.83702812 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1413, 1414 ] - atom: 30 pair_distance: 11.95427282 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1415, 1416 ] - atom: 32 pair_distance: 12.97567335 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1417, 1418 ] - atom: 33 pair_distance: 10.83702812 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1419, 1420 ] - atom: 34 pair_distance: 11.95427282 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1421, 1422 ] - atom: 36 pair_distance: 12.97567335 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1423, 1424 ] - atom: 37 pair_distance: 4.38004915 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1425, 1426, 1427, 1428 ] - atom: 41 pair_distance: 3.54646588 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: [ 1429, 1430, 1431, 1432 ] - atom: 42 pair_distance: 6.16772895 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: [ 1433, 1434, 1435, 1436 ] - atom: 45 pair_distance: 6.15085366 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: [ 1437, 1438, 1439, 1440 ] - atom: 53 pair_distance: 11.17361262 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: [ 1441, 1442, 1443, 1444 ] - atom: 54 pair_distance: 12.26022345 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: [ 1445, 1446, 1447, 1448 ] - atom: 57 pair_distance: 8.36720665 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1449, 1450 ] - atom: 58 pair_distance: 9.77105968 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1451, 1452 ] - atom: 60 pair_distance: 10.99713906 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1453, 1454 ] - atom: 65 pair_distance: 3.56815500 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: [ 1455, 1456, 1457, 1458 ] - atom: 69 pair_distance: 11.17361262 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: [ 1459, 1460, 1461, 1462 ] - atom: 71 pair_distance: 12.26022345 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: [ 1463, 1464, 1465, 1466 ] - atom: 73 pair_distance: 8.36720665 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1467, 1468 ] - atom: 74 pair_distance: 9.77105968 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1469, 1470 ] - atom: 76 pair_distance: 10.99713906 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1471, 1472 ] - atom: 81 pair_distance: 3.54646588 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: 83 pair_distance: 6.16772895 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: 85 pair_distance: 6.15085366 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: [ 1481, 1482, 1483, 1484 ] - atom: 93 pair_distance: 13.37732348 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1485, 1486 ] - atom: 94 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 1487, 1488 ] - atom: 96 pair_distance: 15.16178432 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 1489, 1490 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 9 paired_with: - atom: 1 pair_distance: 5.94267097 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: [ 1491, 1492, 1493, 1494 ] - atom: 2 pair_distance: 7.79607583 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: [ 1495, 1496, 1497, 1498 ] - atom: 3 pair_distance: 7.79607583 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: [ 1499, 1500, 1501, 1502 ] - atom: 4 pair_distance: 9.28667102 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: [ 1503, 1504, 1505, 1506 ] - atom: 5 pair_distance: 4.27473240 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1507, 1508, 1509, 1510, 1511, 1512 ] - atom: 6 pair_distance: 4.27473240 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1513, 1514, 1515, 1516, 1517, 1518 ] - atom: 9 pair_distance: 4.38004915 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1519, 1520, 1521, 1522, 1523, 1524 ] - atom: 10 pair_distance: 4.38004915 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1525, 1526, 1527, 1528, 1529, 1530 ] - atom: 13 pair_distance: 8.24656219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1531, 1532, 1533, 1534, 1535, 1536 ] - atom: 14 pair_distance: 8.24656219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1537, 1538, 1539, 1540, 1541, 1542 ] - atom: 17 pair_distance: 11.02326167 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: [ 1543, 1544, 1545, 1546 ] - atom: 18 pair_distance: 12.12335589 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: [ 1547, 1548, 1549, 1550 ] - atom: 19 pair_distance: 12.12335589 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: [ 1551, 1552, 1553, 1554 ] - atom: 20 pair_distance: 13.13161141 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: [ 1555, 1556, 1557, 1558 ] - atom: 21 pair_distance: 10.83702812 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: [ 1559, 1560, 1561, 1562 ] - atom: 22 pair_distance: 11.95427282 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: [ 1563, 1564, 1565, 1566 ] - atom: 23 pair_distance: 11.95427282 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: [ 1567, 1568, 1569, 1570 ] - atom: 24 pair_distance: 12.97567335 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: [ 1571, 1572, 1573, 1574 ] - atom: 25 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: [ 1575, 1576, 1577, 1578 ] - atom: 26 pair_distance: 5.04613319 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: [ 1579, 1580, 1581, 1582 ] - atom: 27 pair_distance: 5.04613319 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: [ 1583, 1584, 1585, 1586 ] - atom: 28 pair_distance: 7.13630999 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: [ 1587, 1588, 1589, 1590 ] - atom: 29 pair_distance: 9.03147301 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1591, 1592, 1593, 1594, 1595, 1596 ] - atom: 30 pair_distance: 9.03147301 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1597, 1598, 1599, 1600, 1601, 1602 ] - atom: 33 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1603, 1604, 1605, 1606, 1607, 1608 ] - atom: 34 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1609, 1610, 1611, 1612, 1613, 1614 ] - atom: 37 pair_distance: 5.08059071 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: [ 1615, 1616, 1617, 1618 ] - atom: 38 pair_distance: 7.16071659 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: [ 1619, 1620, 1621, 1622 ] - atom: 39 pair_distance: 7.16071659 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: [ 1623, 1624, 1625, 1626 ] - atom: 40 pair_distance: 8.76009830 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: [ 1627, 1628, 1629, 1630 ] - atom: 41 pair_distance: 2.52352307 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: [ 1631, 1632, 1633, 1634 ] - atom: 42 pair_distance: 2.52352307 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: [ 1635, 1636, 1637, 1638 ] - atom: 43 pair_distance: 5.64195257 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: [ 1639, 1640, 1641, 1642 ] - atom: 44 pair_distance: 5.64195257 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: [ 1643, 1644, 1645, 1646 ] - atom: 45 pair_distance: 2.46982147 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: [ 1647, 1648, 1649, 1650 ] - atom: 46 pair_distance: 5.61813833 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: [ 1651, 1652, 1653, 1654 ] - atom: 47 pair_distance: 5.61813833 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: [ 1655, 1656, 1657, 1658 ] - atom: 48 pair_distance: 7.55161827 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: [ 1659, 1660, 1661, 1662 ] - atom: 49 pair_distance: 2.52352307 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1663, 1664, 1665, 1666, 1667, 1668 ] - atom: 50 pair_distance: 5.64195257 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 53 pair_distance: 8.71781889 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: [ 1675, 1676, 1677, 1678 ] - atom: 54 pair_distance: 8.71781889 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: [ 1679, 1680, 1681, 1682 ] - atom: 55 pair_distance: 10.07292541 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: [ 1683, 1684, 1685, 1686 ] - atom: 56 pair_distance: 10.07292541 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: [ 1687, 1688, 1689, 1690 ] - atom: 57 pair_distance: 6.83261482 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1691, 1692, 1693, 1694, 1695, 1696 ] - atom: 58 pair_distance: 6.83261482 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1697, 1698, 1699, 1700, 1701, 1702 ] - atom: 61 pair_distance: 8.71781889 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1703, 1704, 1705, 1706, 1707, 1708 ] - atom: 62 pair_distance: 10.07292541 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1709, 1710, 1711, 1712, 1713, 1714 ] - atom: 65 pair_distance: 2.54029535 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: [ 1715, 1716, 1717, 1718 ] - atom: 66 pair_distance: 5.64947437 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: [ 1719, 1720, 1721, 1722 ] - atom: 67 pair_distance: 5.64947437 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: [ 1723, 1724, 1725, 1726 ] - atom: 68 pair_distance: 7.57496012 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: [ 1727, 1728, 1729, 1730 ] - atom: 69 pair_distance: 13.56601752 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 70 pair_distance: 14.47412490 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1737, 1738, 1739, 1740, 1741, 1742 ] - atom: 73 pair_distance: 11.47629426 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1743, 1744, 1745, 1746, 1747, 1748 ] - atom: 74 pair_distance: 11.47629426 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1749, 1750, 1751, 1752, 1753, 1754 ] - atom: 77 pair_distance: 13.56601752 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: [ 1755, 1756, 1757, 1758 ] - atom: 78 pair_distance: 13.56601752 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: [ 1759, 1760, 1761, 1762 ] - atom: 79 pair_distance: 14.47412490 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: [ 1763, 1764, 1765, 1766 ] - atom: 80 pair_distance: 14.47412490 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: [ 1767, 1768, 1769, 1770 ] - atom: 81 pair_distance: 5.62964233 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1771, 1772, 1773, 1774, 1775, 1776 ] - atom: 82 pair_distance: 7.56018075 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1777, 1778, 1779, 1780, 1781, 1782 ] - atom: 85 pair_distance: 7.55041218 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: [ 1783, 1784, 1785, 1786 ] - atom: 86 pair_distance: 9.08141973 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: [ 1787, 1788, 1789, 1790 ] - atom: 87 pair_distance: 9.08141973 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: [ 1791, 1792, 1793, 1794 ] - atom: 88 pair_distance: 10.38920808 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: [ 1795, 1796, 1797, 1798 ] - atom: 89 pair_distance: 5.62964233 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: [ 1799, 1800, 1801, 1802 ] - atom: 90 pair_distance: 5.62964233 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: [ 1803, 1804, 1805, 1806 ] - atom: 91 pair_distance: 7.56018075 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: [ 1807, 1808, 1809, 1810 ] - atom: 92 pair_distance: 7.56018075 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: [ 1811, 1812, 1813, 1814 ] - atom: 93 pair_distance: 11.40933428 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1815, 1816, 1817, 1818, 1819, 1820 ] - atom: 94 pair_distance: 11.40933428 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1821, 1822, 1823, 1824, 1825, 1826 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 10 paired_with: - atom: 1 pair_distance: 5.94267097 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: [ 1827, 1828, 1829, 1830 ] - atom: 2 pair_distance: 7.79607583 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: [ 1831, 1832, 1833, 1834 ] - atom: 3 pair_distance: 7.79607583 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: [ 1835, 1836, 1837, 1838 ] - atom: 4 pair_distance: 9.28667102 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: [ 1839, 1840, 1841, 1842 ] - atom: 5 pair_distance: 4.27473240 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1843, 1844, 1845, 1846, 1847, 1848 ] - atom: 6 pair_distance: 4.27473240 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1849, 1850, 1851, 1852, 1853, 1854 ] - atom: 9 pair_distance: 4.38004915 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1855, 1856, 1857, 1858, 1859, 1860 ] - atom: 10 pair_distance: 4.38004915 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1861, 1862, 1863, 1864, 1865, 1866 ] - atom: 13 pair_distance: 8.24656219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1867, 1868, 1869, 1870, 1871, 1872 ] - atom: 14 pair_distance: 8.24656219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 17 pair_distance: 11.02326167 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: [ 1879, 1880, 1881, 1882 ] - atom: 18 pair_distance: 12.12335589 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: [ 1883, 1884, 1885, 1886 ] - atom: 19 pair_distance: 12.12335589 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: [ 1887, 1888, 1889, 1890 ] - atom: 20 pair_distance: 13.13161141 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: [ 1891, 1892, 1893, 1894 ] - atom: 21 pair_distance: 10.83702812 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: [ 1895, 1896, 1897, 1898 ] - atom: 22 pair_distance: 11.95427282 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: [ 1899, 1900, 1901, 1902 ] - atom: 23 pair_distance: 11.95427282 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: [ 1903, 1904, 1905, 1906 ] - atom: 24 pair_distance: 12.97567335 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: [ 1907, 1908, 1909, 1910 ] - atom: 25 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: [ 1911, 1912, 1913, 1914 ] - atom: 26 pair_distance: 5.04613319 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: [ 1915, 1916, 1917, 1918 ] - atom: 27 pair_distance: 5.04613319 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: [ 1919, 1920, 1921, 1922 ] - atom: 28 pair_distance: 7.13630999 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: [ 1923, 1924, 1925, 1926 ] - atom: 29 pair_distance: 9.03147301 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1927, 1928, 1929, 1930, 1931, 1932 ] - atom: 30 pair_distance: 9.03147301 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1933, 1934, 1935, 1936, 1937, 1938 ] - atom: 33 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1939, 1940, 1941, 1942, 1943, 1944 ] - atom: 34 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1945, 1946, 1947, 1948, 1949, 1950 ] - atom: 37 pair_distance: 5.08059071 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: [ 1951, 1952, 1953, 1954 ] - atom: 38 pair_distance: 7.16071659 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: [ 1955, 1956, 1957, 1958 ] - atom: 39 pair_distance: 7.16071659 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: [ 1959, 1960, 1961, 1962 ] - atom: 40 pair_distance: 8.76009830 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: [ 1963, 1964, 1965, 1966 ] - atom: 41 pair_distance: 2.52352307 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: [ 1967, 1968, 1969, 1970 ] - atom: 42 pair_distance: 2.52352307 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: [ 1971, 1972, 1973, 1974 ] - atom: 43 pair_distance: 5.64195257 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: [ 1975, 1976, 1977, 1978 ] - atom: 44 pair_distance: 5.64195257 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: [ 1979, 1980, 1981, 1982 ] - atom: 45 pair_distance: 2.46982147 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: [ 1983, 1984, 1985, 1986 ] - atom: 46 pair_distance: 5.61813833 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: [ 1987, 1988, 1989, 1990 ] - atom: 47 pair_distance: 5.61813833 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: [ 1991, 1992, 1993, 1994 ] - atom: 48 pair_distance: 7.55161827 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: [ 1995, 1996, 1997, 1998 ] - atom: 49 pair_distance: 2.52352307 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1999, 2000, 2001, 2002, 2003, 2004 ] - atom: 50 pair_distance: 5.64195257 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2005, 2006, 2007, 2008, 2009, 2010 ] - atom: 53 pair_distance: 8.71781889 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: [ 2011, 2012, 2013, 2014 ] - atom: 54 pair_distance: 8.71781889 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: [ 2015, 2016, 2017, 2018 ] - atom: 55 pair_distance: 10.07292541 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: [ 2019, 2020, 2021, 2022 ] - atom: 56 pair_distance: 10.07292541 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: [ 2023, 2024, 2025, 2026 ] - atom: 57 pair_distance: 6.83261482 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2027, 2028, 2029, 2030, 2031, 2032 ] - atom: 58 pair_distance: 6.83261482 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2033, 2034, 2035, 2036, 2037, 2038 ] - atom: 61 pair_distance: 8.71781889 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2039, 2040, 2041, 2042, 2043, 2044 ] - atom: 62 pair_distance: 10.07292541 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2045, 2046, 2047, 2048, 2049, 2050 ] - atom: 65 pair_distance: 2.54029535 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: [ 2051, 2052, 2053, 2054 ] - atom: 66 pair_distance: 5.64947437 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: [ 2055, 2056, 2057, 2058 ] - atom: 67 pair_distance: 5.64947437 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: [ 2059, 2060, 2061, 2062 ] - atom: 68 pair_distance: 7.57496012 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: [ 2063, 2064, 2065, 2066 ] - atom: 69 pair_distance: 13.56601752 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2067, 2068, 2069, 2070, 2071, 2072 ] - atom: 70 pair_distance: 14.47412490 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2073, 2074, 2075, 2076, 2077, 2078 ] - atom: 73 pair_distance: 11.47629426 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2079, 2080, 2081, 2082, 2083, 2084 ] - atom: 74 pair_distance: 11.47629426 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2085, 2086, 2087, 2088, 2089, 2090 ] - atom: 77 pair_distance: 13.56601752 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: [ 2091, 2092, 2093, 2094 ] - atom: 78 pair_distance: 13.56601752 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: [ 2095, 2096, 2097, 2098 ] - atom: 79 pair_distance: 14.47412490 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: [ 2099, 2100, 2101, 2102 ] - atom: 80 pair_distance: 14.47412490 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: [ 2103, 2104, 2105, 2106 ] - atom: 81 pair_distance: 5.62964233 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2107, 2108, 2109, 2110, 2111, 2112 ] - atom: 82 pair_distance: 7.56018075 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2113, 2114, 2115, 2116, 2117, 2118 ] - atom: 85 pair_distance: 7.55041218 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: [ 2119, 2120, 2121, 2122 ] - atom: 86 pair_distance: 9.08141973 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: [ 2123, 2124, 2125, 2126 ] - atom: 87 pair_distance: 9.08141973 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: [ 2127, 2128, 2129, 2130 ] - atom: 88 pair_distance: 10.38920808 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: [ 2131, 2132, 2133, 2134 ] - atom: 89 pair_distance: 5.62964233 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: [ 2135, 2136, 2137, 2138 ] - atom: 90 pair_distance: 5.62964233 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: [ 2139, 2140, 2141, 2142 ] - atom: 91 pair_distance: 7.56018075 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: [ 2143, 2144, 2145, 2146 ] - atom: 92 pair_distance: 7.56018075 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: [ 2147, 2148, 2149, 2150 ] - atom: 93 pair_distance: 11.40933428 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2151, 2152, 2153, 2154, 2155, 2156 ] - atom: 94 pair_distance: 11.40933428 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2157, 2158, 2159, 2160, 2161, 2162 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_id: 11 paired_with: - atom: 1 pair_distance: 5.94267097 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2163, 2164 ] - atom: 2 pair_distance: 7.79607583 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2165, 2166 ] - atom: 4 pair_distance: 9.28667102 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2167, 2168 ] - atom: 5 pair_distance: 4.27473240 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: [ 2169, 2170, 2171, 2172 ] - atom: 9 pair_distance: 4.38004915 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: [ 2173, 2174, 2175, 2176 ] - atom: 13 pair_distance: 8.24656219 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: [ 2177, 2178, 2179, 2180 ] - atom: 17 pair_distance: 11.02326167 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2181, 2182 ] - atom: 18 pair_distance: 12.12335589 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2183, 2184 ] - atom: 20 pair_distance: 13.13161141 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2185, 2186 ] - atom: 21 pair_distance: 10.83702812 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2187, 2188 ] - atom: 22 pair_distance: 11.95427282 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2189, 2190 ] - atom: 24 pair_distance: 12.97567335 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2191, 2192 ] - atom: 25 pair_distance: 0.00000000 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2193, 2194 ] - atom: 26 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2195, 2196 ] - atom: 28 pair_distance: 7.13630999 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2197, 2198 ] - atom: 29 pair_distance: 9.03147301 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: [ 2199, 2200, 2201, 2202 ] - atom: 33 pair_distance: 13.84501764 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: [ 2203, 2204, 2205, 2206 ] - atom: 37 pair_distance: 5.08059071 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2207, 2208 ] - atom: 38 pair_distance: 7.16071659 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2209, 2210 ] - atom: 40 pair_distance: 8.76009830 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2211, 2212 ] - atom: 41 pair_distance: 2.52352307 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: [ 2213, 2214, 2215, 2216 ] - atom: 43 pair_distance: 5.64195257 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: [ 2217, 2218, 2219, 2220 ] - atom: 45 pair_distance: 2.46982147 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2221, 2222 ] - atom: 46 pair_distance: 5.61813833 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2223, 2224 ] - atom: 48 pair_distance: 7.55161827 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2225, 2226 ] - atom: 53 pair_distance: 8.71781889 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: [ 2227, 2228, 2229, 2230 ] - atom: 55 pair_distance: 10.07292541 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: [ 2231, 2232, 2233, 2234 ] - atom: 57 pair_distance: 6.83261482 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: [ 2235, 2236, 2237, 2238 ] - atom: 65 pair_distance: 2.54029535 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2239, 2240 ] - atom: 66 pair_distance: 5.64947437 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2241, 2242 ] - atom: 68 pair_distance: 7.57496012 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2243, 2244 ] - atom: 69 pair_distance: 13.56601752 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: [ 2245, 2246, 2247, 2248 ] - atom: 70 pair_distance: 14.47412490 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: [ 2249, 2250, 2251, 2252 ] - atom: 73 pair_distance: 11.47629426 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: [ 2253, 2254, 2255, 2256 ] - atom: 81 pair_distance: 5.62964233 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: [ 2257, 2258, 2259, 2260 ] - atom: 82 pair_distance: 7.56018075 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: [ 2261, 2262, 2263, 2264 ] - atom: 85 pair_distance: 7.55041218 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2265, 2266 ] - atom: 86 pair_distance: 9.08141973 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2267, 2268 ] - atom: 88 pair_distance: 10.38920808 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2269, 2270 ] - atom: 93 pair_distance: 11.40933428 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: [ 2271, 2272, 2273, 2274 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_id: 12 paired_with: - atom: 1 pair_distance: 5.94267097 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2275, 2276 ] - atom: 2 pair_distance: 7.79607583 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2277, 2278 ] - atom: 4 pair_distance: 9.28667102 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2279, 2280 ] - atom: 5 pair_distance: 4.27473240 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: [ 2281, 2282, 2283, 2284 ] - atom: 9 pair_distance: 4.38004915 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2285, 2286, 2287, 2288 ] - atom: 13 pair_distance: 8.24656219 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2289, 2290, 2291, 2292 ] - atom: 17 pair_distance: 11.02326167 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2293, 2294 ] - atom: 18 pair_distance: 12.12335589 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2295, 2296 ] - atom: 20 pair_distance: 13.13161141 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2297, 2298 ] - atom: 21 pair_distance: 10.83702812 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2299, 2300 ] - atom: 22 pair_distance: 11.95427282 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2301, 2302 ] - atom: 24 pair_distance: 12.97567335 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2303, 2304 ] - atom: 25 pair_distance: 0.00000000 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2305, 2306 ] - atom: 26 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2307, 2308 ] - atom: 28 pair_distance: 7.13630999 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2309, 2310 ] - atom: 29 pair_distance: 9.03147301 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: [ 2311, 2312, 2313, 2314 ] - atom: 33 pair_distance: 13.84501764 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: [ 2315, 2316, 2317, 2318 ] - atom: 37 pair_distance: 5.08059071 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2319, 2320 ] - atom: 38 pair_distance: 7.16071659 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2321, 2322 ] - atom: 40 pair_distance: 8.76009830 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2323, 2324 ] - atom: 41 pair_distance: 2.52352307 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: [ 2325, 2326, 2327, 2328 ] - atom: 43 pair_distance: 5.64195257 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: [ 2329, 2330, 2331, 2332 ] - atom: 45 pair_distance: 2.46982147 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2333, 2334 ] - atom: 46 pair_distance: 5.61813833 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2335, 2336 ] - atom: 48 pair_distance: 7.55161827 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2337, 2338 ] - atom: 53 pair_distance: 8.71781889 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: [ 2339, 2340, 2341, 2342 ] - atom: 55 pair_distance: 10.07292541 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: [ 2343, 2344, 2345, 2346 ] - atom: 57 pair_distance: 6.83261482 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: [ 2347, 2348, 2349, 2350 ] - atom: 65 pair_distance: 2.54029535 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2351, 2352 ] - atom: 66 pair_distance: 5.64947437 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2353, 2354 ] - atom: 68 pair_distance: 7.57496012 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2355, 2356 ] - atom: 69 pair_distance: 13.56601752 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: [ 2357, 2358, 2359, 2360 ] - atom: 70 pair_distance: 14.47412490 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: [ 2361, 2362, 2363, 2364 ] - atom: 73 pair_distance: 11.47629426 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: [ 2365, 2366, 2367, 2368 ] - atom: 81 pair_distance: 5.62964233 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: [ 2369, 2370, 2371, 2372 ] - atom: 82 pair_distance: 7.56018075 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: [ 2373, 2374, 2375, 2376 ] - atom: 85 pair_distance: 7.55041218 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2377, 2378 ] - atom: 86 pair_distance: 9.08141973 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 2379, 2380 ] - atom: 88 pair_distance: 10.38920808 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 2381, 2382 ] - atom: 93 pair_distance: 11.40933428 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: [ 2383, 2384, 2385, 2386 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 13 paired_with: - atom: 1 pair_distance: 6.50030444 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: [ 2387, 2388, 2389, 2390 ] - atom: 2 pair_distance: 6.50030444 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: [ 2391, 2392, 2393, 2394 ] - atom: 3 pair_distance: 8.22905936 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: [ 2395, 2396, 2397, 2398 ] - atom: 4 pair_distance: 8.22905936 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: [ 2399, 2400, 2401, 2402 ] - atom: 5 pair_distance: 3.48363999 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2403, 2404, 2405, 2406, 2407, 2408 ] - atom: 6 pair_distance: 6.13181928 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2409, 2410, 2411, 2412, 2413, 2414 ] - atom: 9 pair_distance: 3.54646588 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2415, 2416, 2417, 2418, 2419, 2420 ] - atom: 10 pair_distance: 6.16772895 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2421, 2422, 2423, 2424, 2425, 2426 ] - atom: 13 pair_distance: 7.80567466 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 14 pair_distance: 9.29473060 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2433, 2434, 2435, 2436, 2437, 2438 ] - atom: 17 pair_distance: 11.26154154 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: [ 2439, 2440, 2441, 2442 ] - atom: 18 pair_distance: 11.26154154 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: [ 2443, 2444, 2445, 2446 ] - atom: 19 pair_distance: 12.34041239 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: [ 2447, 2448, 2449, 2450 ] - atom: 20 pair_distance: 12.34041239 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: [ 2451, 2452, 2453, 2454 ] - atom: 21 pair_distance: 11.17361262 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: [ 2455, 2456, 2457, 2458 ] - atom: 22 pair_distance: 11.17361262 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: [ 2459, 2460, 2461, 2462 ] - atom: 23 pair_distance: 12.26022345 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: [ 2463, 2464, 2465, 2466 ] - atom: 24 pair_distance: 12.26022345 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: [ 2467, 2468, 2469, 2470 ] - atom: 25 pair_distance: 2.52352307 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: [ 2471, 2472, 2473, 2474 ] - atom: 26 pair_distance: 2.52352307 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: [ 2475, 2476, 2477, 2478 ] - atom: 27 pair_distance: 5.64195257 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: [ 2479, 2480, 2481, 2482 ] - atom: 28 pair_distance: 5.64195257 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: [ 2483, 2484, 2485, 2486 ] - atom: 29 pair_distance: 8.71781889 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 30 pair_distance: 10.07292541 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 33 pair_distance: 13.56601752 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 34 pair_distance: 14.47412490 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 37 pair_distance: 5.62964233 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: [ 2511, 2512, 2513, 2514 ] - atom: 38 pair_distance: 5.62964233 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: [ 2515, 2516, 2517, 2518 ] - atom: 39 pair_distance: 7.56018075 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: [ 2519, 2520, 2521, 2522 ] - atom: 40 pair_distance: 7.56018075 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: [ 2523, 2524, 2525, 2526 ] - atom: 41 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: [ 2527, 2528, 2529, 2530 ] - atom: 42 pair_distance: 5.04613319 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: [ 2531, 2532, 2533, 2534 ] - atom: 43 pair_distance: 5.04613319 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: [ 2535, 2536, 2537, 2538 ] - atom: 44 pair_distance: 7.13630999 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: [ 2539, 2540, 2541, 2542 ] - atom: 45 pair_distance: 3.56444536 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: [ 2543, 2544, 2545, 2546 ] - atom: 46 pair_distance: 3.56444536 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: [ 2547, 2548, 2549, 2550 ] - atom: 47 pair_distance: 6.17808473 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: [ 2551, 2552, 2553, 2554 ] - atom: 48 pair_distance: 6.17808473 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: [ 2555, 2556, 2557, 2558 ] - atom: 49 pair_distance: 3.56815500 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2559, 2560, 2561, 2562, 2563, 2564 ] - atom: 50 pair_distance: 3.56815500 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2565, 2566, 2567, 2568, 2569, 2570 ] - atom: 53 pair_distance: 8.39272512 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: [ 2571, 2572, 2573, 2574 ] - atom: 54 pair_distance: 9.79292066 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: [ 2575, 2576, 2577, 2578 ] - atom: 55 pair_distance: 9.79292066 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: [ 2579, 2580, 2581, 2582 ] - atom: 56 pair_distance: 11.01656731 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: [ 2583, 2584, 2585, 2586 ] - atom: 57 pair_distance: 6.39377845 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 58 pair_distance: 8.14517421 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 61 pair_distance: 9.11973492 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 62 pair_distance: 9.11973492 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2605, 2606, 2607, 2608, 2609, 2610 ] - atom: 65 pair_distance: 3.54646588 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: [ 2611, 2612, 2613, 2614 ] - atom: 66 pair_distance: 3.54646588 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: [ 2615, 2616, 2617, 2618 ] - atom: 67 pair_distance: 6.16772895 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: [ 2619, 2620, 2621, 2622 ] - atom: 68 pair_distance: 6.16772895 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: [ 2623, 2624, 2625, 2626 ] - atom: 69 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2627, 2628, 2629, 2630, 2631, 2632 ] - atom: 70 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2633, 2634, 2635, 2636, 2637, 2638 ] - atom: 73 pair_distance: 11.14875472 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2639, 2640, 2641, 2642, 2643, 2644 ] - atom: 74 pair_distance: 12.23757296 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2645, 2646, 2647, 2648, 2649, 2650 ] - atom: 77 pair_distance: 13.37732348 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: [ 2651, 2652, 2653, 2654 ] - atom: 78 pair_distance: 14.29742087 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: [ 2655, 2656, 2657, 2658 ] - atom: 79 pair_distance: 14.29742087 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: [ 2659, 2660, 2661, 2662 ] - atom: 80 pair_distance: 15.16178432 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: [ 2663, 2664, 2665, 2666 ] - atom: 81 pair_distance: 6.13008572 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2667, 2668, 2669, 2670, 2671, 2672 ] - atom: 82 pair_distance: 6.13008572 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2673, 2674, 2675, 2676, 2677, 2678 ] - atom: 85 pair_distance: 7.91530865 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: [ 2679, 2680, 2681, 2682 ] - atom: 86 pair_distance: 7.91530865 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: [ 2683, 2684, 2685, 2686 ] - atom: 87 pair_distance: 9.38698946 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: [ 2687, 2688, 2689, 2690 ] - atom: 88 pair_distance: 9.38698946 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: [ 2691, 2692, 2693, 2694 ] - atom: 89 pair_distance: 4.98459836 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: [ 2695, 2696, 2697, 2698 ] - atom: 90 pair_distance: 7.09293176 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: [ 2699, 2700, 2701, 2702 ] - atom: 91 pair_distance: 7.09293176 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: [ 2703, 2704, 2705, 2706 ] - atom: 92 pair_distance: 8.70477692 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: [ 2707, 2708, 2709, 2710 ] - atom: 93 pair_distance: 11.17361262 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2711, 2712, 2713, 2714, 2715, 2716 ] - atom: 94 pair_distance: 12.26022345 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2717, 2718, 2719, 2720, 2721, 2722 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 14 paired_with: - atom: 1 pair_distance: 6.50030444 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: [ 2723, 2724, 2725, 2726 ] - atom: 2 pair_distance: 6.50030444 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: [ 2727, 2728, 2729, 2730 ] - atom: 3 pair_distance: 8.22905936 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: [ 2731, 2732, 2733, 2734 ] - atom: 4 pair_distance: 8.22905936 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: [ 2735, 2736, 2737, 2738 ] - atom: 5 pair_distance: 3.48363999 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2739, 2740, 2741, 2742, 2743, 2744 ] - atom: 6 pair_distance: 6.13181928 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2745, 2746, 2747, 2748, 2749, 2750 ] - atom: 9 pair_distance: 3.54646588 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2751, 2752, 2753, 2754, 2755, 2756 ] - atom: 10 pair_distance: 6.16772895 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 13 pair_distance: 7.80567466 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 14 pair_distance: 9.29473060 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 17 pair_distance: 11.26154154 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: [ 2775, 2776, 2777, 2778 ] - atom: 18 pair_distance: 11.26154154 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: [ 2779, 2780, 2781, 2782 ] - atom: 19 pair_distance: 12.34041239 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: [ 2783, 2784, 2785, 2786 ] - atom: 20 pair_distance: 12.34041239 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: [ 2787, 2788, 2789, 2790 ] - atom: 21 pair_distance: 11.17361262 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: [ 2791, 2792, 2793, 2794 ] - atom: 22 pair_distance: 11.17361262 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: [ 2795, 2796, 2797, 2798 ] - atom: 23 pair_distance: 12.26022345 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: [ 2799, 2800, 2801, 2802 ] - atom: 24 pair_distance: 12.26022345 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: [ 2803, 2804, 2805, 2806 ] - atom: 25 pair_distance: 2.52352307 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: [ 2807, 2808, 2809, 2810 ] - atom: 26 pair_distance: 2.52352307 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: [ 2811, 2812, 2813, 2814 ] - atom: 27 pair_distance: 5.64195257 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: [ 2815, 2816, 2817, 2818 ] - atom: 28 pair_distance: 5.64195257 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: [ 2819, 2820, 2821, 2822 ] - atom: 29 pair_distance: 8.71781889 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2823, 2824, 2825, 2826, 2827, 2828 ] - atom: 30 pair_distance: 10.07292541 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2829, 2830, 2831, 2832, 2833, 2834 ] - atom: 33 pair_distance: 13.56601752 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2835, 2836, 2837, 2838, 2839, 2840 ] - atom: 34 pair_distance: 14.47412490 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2841, 2842, 2843, 2844, 2845, 2846 ] - atom: 37 pair_distance: 5.62964233 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: [ 2847, 2848, 2849, 2850 ] - atom: 38 pair_distance: 5.62964233 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: [ 2851, 2852, 2853, 2854 ] - atom: 39 pair_distance: 7.56018075 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: [ 2855, 2856, 2857, 2858 ] - atom: 40 pair_distance: 7.56018075 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: [ 2859, 2860, 2861, 2862 ] - atom: 41 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: [ 2863, 2864, 2865, 2866 ] - atom: 42 pair_distance: 5.04613319 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: [ 2867, 2868, 2869, 2870 ] - atom: 43 pair_distance: 5.04613319 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: [ 2871, 2872, 2873, 2874 ] - atom: 44 pair_distance: 7.13630999 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: [ 2875, 2876, 2877, 2878 ] - atom: 45 pair_distance: 3.56444536 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: [ 2879, 2880, 2881, 2882 ] - atom: 46 pair_distance: 3.56444536 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: [ 2883, 2884, 2885, 2886 ] - atom: 47 pair_distance: 6.17808473 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: [ 2887, 2888, 2889, 2890 ] - atom: 48 pair_distance: 6.17808473 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: [ 2891, 2892, 2893, 2894 ] - atom: 49 pair_distance: 3.56815500 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2895, 2896, 2897, 2898, 2899, 2900 ] - atom: 50 pair_distance: 3.56815500 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2901, 2902, 2903, 2904, 2905, 2906 ] - atom: 53 pair_distance: 8.39272512 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: [ 2907, 2908, 2909, 2910 ] - atom: 54 pair_distance: 9.79292066 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: [ 2911, 2912, 2913, 2914 ] - atom: 55 pair_distance: 9.79292066 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: [ 2915, 2916, 2917, 2918 ] - atom: 56 pair_distance: 11.01656731 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: [ 2919, 2920, 2921, 2922 ] - atom: 57 pair_distance: 6.39377845 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2923, 2924, 2925, 2926, 2927, 2928 ] - atom: 58 pair_distance: 8.14517421 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2929, 2930, 2931, 2932, 2933, 2934 ] - atom: 61 pair_distance: 9.11973492 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2935, 2936, 2937, 2938, 2939, 2940 ] - atom: 62 pair_distance: 9.11973492 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 65 pair_distance: 3.54646588 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: [ 2947, 2948, 2949, 2950 ] - atom: 66 pair_distance: 3.54646588 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: [ 2951, 2952, 2953, 2954 ] - atom: 67 pair_distance: 6.16772895 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: [ 2955, 2956, 2957, 2958 ] - atom: 68 pair_distance: 6.16772895 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: [ 2959, 2960, 2961, 2962 ] - atom: 69 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2963, 2964, 2965, 2966, 2967, 2968 ] - atom: 70 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2969, 2970, 2971, 2972, 2973, 2974 ] - atom: 73 pair_distance: 11.14875472 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2975, 2976, 2977, 2978, 2979, 2980 ] - atom: 74 pair_distance: 12.23757296 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2981, 2982, 2983, 2984, 2985, 2986 ] - atom: 77 pair_distance: 13.37732348 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: [ 2987, 2988, 2989, 2990 ] - atom: 78 pair_distance: 14.29742087 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: [ 2991, 2992, 2993, 2994 ] - atom: 79 pair_distance: 14.29742087 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: [ 2995, 2996, 2997, 2998 ] - atom: 80 pair_distance: 15.16178432 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: [ 2999, 3000, 3001, 3002 ] - atom: 81 pair_distance: 6.13008572 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3003, 3004, 3005, 3006, 3007, 3008 ] - atom: 82 pair_distance: 6.13008572 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3009, 3010, 3011, 3012, 3013, 3014 ] - atom: 85 pair_distance: 7.91530865 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: [ 3015, 3016, 3017, 3018 ] - atom: 86 pair_distance: 7.91530865 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: [ 3019, 3020, 3021, 3022 ] - atom: 87 pair_distance: 9.38698946 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: [ 3023, 3024, 3025, 3026 ] - atom: 88 pair_distance: 9.38698946 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: [ 3027, 3028, 3029, 3030 ] - atom: 89 pair_distance: 4.98459836 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: [ 3031, 3032, 3033, 3034 ] - atom: 90 pair_distance: 7.09293176 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: [ 3035, 3036, 3037, 3038 ] - atom: 91 pair_distance: 7.09293176 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: [ 3039, 3040, 3041, 3042 ] - atom: 92 pair_distance: 8.70477692 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: [ 3043, 3044, 3045, 3046 ] - atom: 93 pair_distance: 11.17361262 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3047, 3048, 3049, 3050, 3051, 3052 ] - atom: 94 pair_distance: 12.26022345 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3053, 3054, 3055, 3056, 3057, 3058 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] displacement_id: 15 paired_with: - atom: 1 pair_distance: 6.50030444 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3059, 3060, 3061, 3062, 3063, 3064 ] - atom: 3 pair_distance: 8.22905936 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3065, 3066, 3067, 3068, 3069, 3070 ] - atom: 5 pair_distance: 3.48363999 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: [ 3071, 3072, 3073, 3074 ] - atom: 6 pair_distance: 6.13181928 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: [ 3075, 3076, 3077, 3078 ] - atom: 7 pair_distance: 3.48363999 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: [ 3079, 3080, 3081, 3082 ] - atom: 8 pair_distance: 6.13181928 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: [ 3083, 3084, 3085, 3086 ] - atom: 9 pair_distance: 3.54646588 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: [ 3087, 3088, 3089, 3090 ] - atom: 10 pair_distance: 6.16772895 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: [ 3091, 3092, 3093, 3094 ] - atom: 11 pair_distance: 3.54646588 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: [ 3095, 3096, 3097, 3098 ] - atom: 12 pair_distance: 6.16772895 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: [ 3099, 3100, 3101, 3102 ] - atom: 13 pair_distance: 7.80567466 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: [ 3103, 3104, 3105, 3106 ] - atom: 14 pair_distance: 9.29473060 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: [ 3107, 3108, 3109, 3110 ] - atom: 15 pair_distance: 7.80567466 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: [ 3111, 3112, 3113, 3114 ] - atom: 16 pair_distance: 9.29473060 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: [ 3115, 3116, 3117, 3118 ] - atom: 17 pair_distance: 11.26154154 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3119, 3120, 3121, 3122, 3123, 3124 ] - atom: 19 pair_distance: 12.34041239 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3125, 3126, 3127, 3128, 3129, 3130 ] - atom: 21 pair_distance: 11.17361262 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3131, 3132, 3133, 3134, 3135, 3136 ] - atom: 23 pair_distance: 12.26022345 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3137, 3138, 3139, 3140, 3141, 3142 ] - atom: 25 pair_distance: 2.52352307 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3143, 3144, 3145, 3146, 3147, 3148 ] - atom: 27 pair_distance: 5.64195257 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 29 pair_distance: 8.71781889 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: [ 3155, 3156, 3157, 3158 ] - atom: 30 pair_distance: 10.07292541 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: [ 3159, 3160, 3161, 3162 ] - atom: 31 pair_distance: 8.71781889 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: [ 3163, 3164, 3165, 3166 ] - atom: 32 pair_distance: 10.07292541 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: [ 3167, 3168, 3169, 3170 ] - atom: 33 pair_distance: 13.56601752 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: [ 3171, 3172, 3173, 3174 ] - atom: 34 pair_distance: 14.47412490 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: [ 3175, 3176, 3177, 3178 ] - atom: 35 pair_distance: 13.56601752 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: [ 3179, 3180, 3181, 3182 ] - atom: 36 pair_distance: 14.47412490 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: [ 3183, 3184, 3185, 3186 ] - atom: 37 pair_distance: 5.62964233 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3187, 3188, 3189, 3190, 3191, 3192 ] - atom: 39 pair_distance: 7.56018075 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3193, 3194, 3195, 3196, 3197, 3198 ] - atom: 41 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: [ 3199, 3200, 3201, 3202 ] - atom: 42 pair_distance: 5.04613319 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: [ 3203, 3204, 3205, 3206 ] - atom: 43 pair_distance: 5.04613319 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: [ 3207, 3208, 3209, 3210 ] - atom: 44 pair_distance: 7.13630999 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: [ 3211, 3212, 3213, 3214 ] - atom: 45 pair_distance: 3.56444536 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3215, 3216, 3217, 3218, 3219, 3220 ] - atom: 47 pair_distance: 6.17808473 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3221, 3222, 3223, 3224, 3225, 3226 ] - atom: 49 pair_distance: 3.56815500 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3227, 3228, 3229, 3230, 3231, 3232 ] - atom: 51 pair_distance: 3.56815500 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 53 pair_distance: 8.39272512 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: [ 3239, 3240, 3241, 3242 ] - atom: 54 pair_distance: 9.79292066 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: [ 3243, 3244, 3245, 3246 ] - atom: 55 pair_distance: 9.79292066 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: [ 3247, 3248, 3249, 3250 ] - atom: 56 pair_distance: 11.01656731 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: [ 3251, 3252, 3253, 3254 ] - atom: 57 pair_distance: 6.39377845 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: [ 3255, 3256, 3257, 3258 ] - atom: 58 pair_distance: 8.14517421 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: [ 3259, 3260, 3261, 3262 ] - atom: 59 pair_distance: 6.39377845 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: [ 3263, 3264, 3265, 3266 ] - atom: 60 pair_distance: 8.14517421 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: [ 3267, 3268, 3269, 3270 ] - atom: 61 pair_distance: 9.11973492 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 63 pair_distance: 9.11973492 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 65 pair_distance: 3.54646588 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 67 pair_distance: 6.16772895 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 69 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 71 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3301, 3302, 3303, 3304, 3305, 3306 ] - atom: 73 pair_distance: 11.14875472 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: [ 3307, 3308, 3309, 3310 ] - atom: 74 pair_distance: 12.23757296 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: [ 3311, 3312, 3313, 3314 ] - atom: 75 pair_distance: 11.14875472 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: [ 3315, 3316, 3317, 3318 ] - atom: 76 pair_distance: 12.23757296 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: [ 3319, 3320, 3321, 3322 ] - atom: 77 pair_distance: 13.37732348 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: [ 3323, 3324, 3325, 3326 ] - atom: 78 pair_distance: 14.29742087 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: [ 3327, 3328, 3329, 3330 ] - atom: 79 pair_distance: 14.29742087 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: [ 3331, 3332, 3333, 3334 ] - atom: 80 pair_distance: 15.16178432 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: [ 3335, 3336, 3337, 3338 ] - atom: 81 pair_distance: 6.13008572 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 83 pair_distance: 6.13008572 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 85 pair_distance: 7.91530865 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 87 pair_distance: 9.38698946 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3357, 3358, 3359, 3360, 3361, 3362 ] - atom: 89 pair_distance: 4.98459836 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: [ 3363, 3364, 3365, 3366 ] - atom: 90 pair_distance: 7.09293176 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: [ 3367, 3368, 3369, 3370 ] - atom: 91 pair_distance: 7.09293176 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: [ 3371, 3372, 3373, 3374 ] - atom: 92 pair_distance: 8.70477692 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: [ 3375, 3376, 3377, 3378 ] - atom: 93 pair_distance: 11.17361262 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: [ 3379, 3380, 3381, 3382 ] - atom: 94 pair_distance: 12.26022345 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: [ 3383, 3384, 3385, 3386 ] - atom: 95 pair_distance: 11.17361262 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: [ 3387, 3388, 3389, 3390 ] - atom: 96 pair_distance: 12.26022345 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: [ 3391, 3392, 3393, 3394 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_id: 16 paired_with: - atom: 1 pair_distance: 6.50030444 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3395, 3396, 3397, 3398, 3399, 3400 ] - atom: 3 pair_distance: 8.22905936 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3401, 3402, 3403, 3404, 3405, 3406 ] - atom: 5 pair_distance: 3.48363999 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: [ 3407, 3408, 3409, 3410 ] - atom: 6 pair_distance: 6.13181928 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: [ 3411, 3412, 3413, 3414 ] - atom: 7 pair_distance: 3.48363999 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: [ 3415, 3416, 3417, 3418 ] - atom: 8 pair_distance: 6.13181928 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: [ 3419, 3420, 3421, 3422 ] - atom: 9 pair_distance: 3.54646588 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: [ 3423, 3424, 3425, 3426 ] - atom: 10 pair_distance: 6.16772895 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: [ 3427, 3428, 3429, 3430 ] - atom: 11 pair_distance: 3.54646588 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: [ 3431, 3432, 3433, 3434 ] - atom: 12 pair_distance: 6.16772895 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: [ 3435, 3436, 3437, 3438 ] - atom: 13 pair_distance: 7.80567466 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: [ 3439, 3440, 3441, 3442 ] - atom: 14 pair_distance: 9.29473060 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: [ 3443, 3444, 3445, 3446 ] - atom: 15 pair_distance: 7.80567466 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: [ 3447, 3448, 3449, 3450 ] - atom: 16 pair_distance: 9.29473060 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: [ 3451, 3452, 3453, 3454 ] - atom: 17 pair_distance: 11.26154154 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 19 pair_distance: 12.34041239 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 21 pair_distance: 11.17361262 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 23 pair_distance: 12.26022345 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 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: 25 pair_distance: 2.52352307 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3479, 3480, 3481, 3482, 3483, 3484 ] - atom: 27 pair_distance: 5.64195257 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3485, 3486, 3487, 3488, 3489, 3490 ] - atom: 29 pair_distance: 8.71781889 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: [ 3491, 3492, 3493, 3494 ] - atom: 30 pair_distance: 10.07292541 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: [ 3495, 3496, 3497, 3498 ] - atom: 31 pair_distance: 8.71781889 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: [ 3499, 3500, 3501, 3502 ] - atom: 32 pair_distance: 10.07292541 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: [ 3503, 3504, 3505, 3506 ] - atom: 33 pair_distance: 13.56601752 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: [ 3507, 3508, 3509, 3510 ] - atom: 34 pair_distance: 14.47412490 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: [ 3511, 3512, 3513, 3514 ] - atom: 35 pair_distance: 13.56601752 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: [ 3515, 3516, 3517, 3518 ] - atom: 36 pair_distance: 14.47412490 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: [ 3519, 3520, 3521, 3522 ] - atom: 37 pair_distance: 5.62964233 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3523, 3524, 3525, 3526, 3527, 3528 ] - atom: 39 pair_distance: 7.56018075 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3529, 3530, 3531, 3532, 3533, 3534 ] - atom: 41 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: [ 3535, 3536, 3537, 3538 ] - atom: 42 pair_distance: 5.04613319 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: [ 3539, 3540, 3541, 3542 ] - atom: 43 pair_distance: 5.04613319 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: [ 3543, 3544, 3545, 3546 ] - atom: 44 pair_distance: 7.13630999 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: [ 3547, 3548, 3549, 3550 ] - atom: 45 pair_distance: 3.56444536 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3551, 3552, 3553, 3554, 3555, 3556 ] - atom: 47 pair_distance: 6.17808473 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3557, 3558, 3559, 3560, 3561, 3562 ] - atom: 49 pair_distance: 3.56815500 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3563, 3564, 3565, 3566, 3567, 3568 ] - atom: 51 pair_distance: 3.56815500 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3569, 3570, 3571, 3572, 3573, 3574 ] - atom: 53 pair_distance: 8.39272512 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: [ 3575, 3576, 3577, 3578 ] - atom: 54 pair_distance: 9.79292066 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: [ 3579, 3580, 3581, 3582 ] - atom: 55 pair_distance: 9.79292066 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: [ 3583, 3584, 3585, 3586 ] - atom: 56 pair_distance: 11.01656731 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: [ 3587, 3588, 3589, 3590 ] - atom: 57 pair_distance: 6.39377845 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: [ 3591, 3592, 3593, 3594 ] - atom: 58 pair_distance: 8.14517421 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: [ 3595, 3596, 3597, 3598 ] - atom: 59 pair_distance: 6.39377845 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: [ 3599, 3600, 3601, 3602 ] - atom: 60 pair_distance: 8.14517421 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: [ 3603, 3604, 3605, 3606 ] - atom: 61 pair_distance: 9.11973492 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3607, 3608, 3609, 3610, 3611, 3612 ] - atom: 63 pair_distance: 9.11973492 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3613, 3614, 3615, 3616, 3617, 3618 ] - atom: 65 pair_distance: 3.54646588 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3619, 3620, 3621, 3622, 3623, 3624 ] - atom: 67 pair_distance: 6.16772895 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3625, 3626, 3627, 3628, 3629, 3630 ] - atom: 69 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3631, 3632, 3633, 3634, 3635, 3636 ] - atom: 71 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3637, 3638, 3639, 3640, 3641, 3642 ] - atom: 73 pair_distance: 11.14875472 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: [ 3643, 3644, 3645, 3646 ] - atom: 74 pair_distance: 12.23757296 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: [ 3647, 3648, 3649, 3650 ] - atom: 75 pair_distance: 11.14875472 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: [ 3651, 3652, 3653, 3654 ] - atom: 76 pair_distance: 12.23757296 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: [ 3655, 3656, 3657, 3658 ] - atom: 77 pair_distance: 13.37732348 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: [ 3659, 3660, 3661, 3662 ] - atom: 78 pair_distance: 14.29742087 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: [ 3663, 3664, 3665, 3666 ] - atom: 79 pair_distance: 14.29742087 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: [ 3667, 3668, 3669, 3670 ] - atom: 80 pair_distance: 15.16178432 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: [ 3671, 3672, 3673, 3674 ] - atom: 81 pair_distance: 6.13008572 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3675, 3676, 3677, 3678, 3679, 3680 ] - atom: 83 pair_distance: 6.13008572 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3681, 3682, 3683, 3684, 3685, 3686 ] - atom: 85 pair_distance: 7.91530865 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3687, 3688, 3689, 3690, 3691, 3692 ] - atom: 87 pair_distance: 9.38698946 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3693, 3694, 3695, 3696, 3697, 3698 ] - atom: 89 pair_distance: 4.98459836 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: [ 3699, 3700, 3701, 3702 ] - atom: 90 pair_distance: 7.09293176 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: [ 3703, 3704, 3705, 3706 ] - atom: 91 pair_distance: 7.09293176 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: [ 3707, 3708, 3709, 3710 ] - atom: 92 pair_distance: 8.70477692 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: [ 3711, 3712, 3713, 3714 ] - atom: 93 pair_distance: 11.17361262 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: [ 3715, 3716, 3717, 3718 ] - atom: 94 pair_distance: 12.26022345 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: [ 3719, 3720, 3721, 3722 ] - atom: 95 pair_distance: 11.17361262 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: [ 3723, 3724, 3725, 3726 ] - atom: 96 pair_distance: 12.26022345 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: [ 3727, 3728, 3729, 3730 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_id: 17 paired_with: - atom: 1 pair_distance: 6.50030444 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: [ 3731, 3732, 3733, 3734 ] - atom: 3 pair_distance: 8.22905936 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: [ 3735, 3736, 3737, 3738 ] - atom: 5 pair_distance: 3.48363999 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: [ 3739, 3740, 3741, 3742 ] - atom: 6 pair_distance: 6.13181928 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: [ 3743, 3744, 3745, 3746 ] - atom: 9 pair_distance: 3.54646588 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: [ 3747, 3748, 3749, 3750 ] - atom: 10 pair_distance: 6.16772895 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: [ 3751, 3752, 3753, 3754 ] - atom: 13 pair_distance: 7.80567466 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: [ 3755, 3756, 3757, 3758 ] - atom: 14 pair_distance: 9.29473060 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: [ 3759, 3760, 3761, 3762 ] - atom: 17 pair_distance: 11.26154154 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: [ 3763, 3764, 3765, 3766 ] - atom: 19 pair_distance: 12.34041239 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: [ 3767, 3768, 3769, 3770 ] - atom: 21 pair_distance: 11.17361262 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: [ 3771, 3772, 3773, 3774 ] - atom: 23 pair_distance: 12.26022345 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: [ 3775, 3776, 3777, 3778 ] - atom: 25 pair_distance: 2.52352307 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: [ 3779, 3780, 3781, 3782 ] - atom: 27 pair_distance: 5.64195257 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: [ 3783, 3784, 3785, 3786 ] - atom: 29 pair_distance: 8.71781889 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: [ 3787, 3788, 3789, 3790 ] - atom: 30 pair_distance: 10.07292541 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: [ 3791, 3792, 3793, 3794 ] - atom: 33 pair_distance: 13.56601752 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: [ 3795, 3796, 3797, 3798 ] - atom: 34 pair_distance: 14.47412490 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: [ 3799, 3800, 3801, 3802 ] - atom: 37 pair_distance: 5.62964233 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: [ 3803, 3804, 3805, 3806 ] - atom: 39 pair_distance: 7.56018075 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: [ 3807, 3808, 3809, 3810 ] - atom: 41 pair_distance: 0.00000000 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3811, 3812 ] - atom: 42 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3813, 3814 ] - atom: 43 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3815, 3816 ] - atom: 44 pair_distance: 7.13630999 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3817, 3818 ] - atom: 45 pair_distance: 3.56444536 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: [ 3819, 3820, 3821, 3822 ] - atom: 47 pair_distance: 6.17808473 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: [ 3823, 3824, 3825, 3826 ] - atom: 49 pair_distance: 3.56815500 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3827, 3828, 3829, 3830, 3831, 3832 ] - atom: 53 pair_distance: 8.39272512 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3833, 3834 ] - atom: 54 pair_distance: 9.79292066 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3835, 3836 ] - atom: 55 pair_distance: 9.79292066 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3837, 3838 ] - atom: 56 pair_distance: 11.01656731 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3839, 3840 ] - atom: 57 pair_distance: 6.39377845 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: [ 3841, 3842, 3843, 3844 ] - atom: 58 pair_distance: 8.14517421 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: [ 3845, 3846, 3847, 3848 ] - atom: 61 pair_distance: 9.11973492 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3849, 3850, 3851, 3852, 3853, 3854 ] - atom: 65 pair_distance: 3.54646588 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: [ 3855, 3856, 3857, 3858 ] - atom: 67 pair_distance: 6.16772895 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: [ 3859, 3860, 3861, 3862 ] - atom: 69 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3863, 3864, 3865, 3866, 3867, 3868 ] - atom: 73 pair_distance: 11.14875472 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: [ 3869, 3870, 3871, 3872 ] - atom: 74 pair_distance: 12.23757296 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: [ 3873, 3874, 3875, 3876 ] - atom: 77 pair_distance: 13.37732348 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3877, 3878 ] - atom: 78 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3879, 3880 ] - atom: 79 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3881, 3882 ] - atom: 80 pair_distance: 15.16178432 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3883, 3884 ] - atom: 81 pair_distance: 6.13008572 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3885, 3886, 3887, 3888, 3889, 3890 ] - atom: 85 pair_distance: 7.91530865 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: [ 3891, 3892, 3893, 3894 ] - atom: 87 pair_distance: 9.38698946 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: [ 3895, 3896, 3897, 3898 ] - atom: 89 pair_distance: 4.98459836 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3899, 3900 ] - atom: 90 pair_distance: 7.09293176 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3901, 3902 ] - atom: 91 pair_distance: 7.09293176 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3903, 3904 ] - atom: 92 pair_distance: 8.70477692 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3905, 3906 ] - atom: 93 pair_distance: 11.17361262 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: [ 3907, 3908, 3909, 3910 ] - atom: 94 pair_distance: 12.26022345 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: [ 3911, 3912, 3913, 3914 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_id: 18 paired_with: - atom: 1 pair_distance: 6.50030444 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: [ 3915, 3916, 3917, 3918 ] - atom: 3 pair_distance: 8.22905936 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: [ 3919, 3920, 3921, 3922 ] - atom: 5 pair_distance: 3.48363999 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: [ 3923, 3924, 3925, 3926 ] - atom: 6 pair_distance: 6.13181928 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: [ 3927, 3928, 3929, 3930 ] - atom: 9 pair_distance: 3.54646588 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: [ 3931, 3932, 3933, 3934 ] - atom: 10 pair_distance: 6.16772895 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: [ 3935, 3936, 3937, 3938 ] - atom: 13 pair_distance: 7.80567466 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: [ 3939, 3940, 3941, 3942 ] - atom: 14 pair_distance: 9.29473060 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: [ 3943, 3944, 3945, 3946 ] - atom: 17 pair_distance: 11.26154154 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: [ 3947, 3948, 3949, 3950 ] - atom: 19 pair_distance: 12.34041239 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: [ 3951, 3952, 3953, 3954 ] - atom: 21 pair_distance: 11.17361262 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: [ 3955, 3956, 3957, 3958 ] - atom: 23 pair_distance: 12.26022345 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: [ 3959, 3960, 3961, 3962 ] - atom: 25 pair_distance: 2.52352307 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: [ 3963, 3964, 3965, 3966 ] - atom: 27 pair_distance: 5.64195257 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: [ 3967, 3968, 3969, 3970 ] - atom: 29 pair_distance: 8.71781889 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: [ 3971, 3972, 3973, 3974 ] - atom: 30 pair_distance: 10.07292541 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: [ 3975, 3976, 3977, 3978 ] - atom: 33 pair_distance: 13.56601752 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: [ 3979, 3980, 3981, 3982 ] - atom: 34 pair_distance: 14.47412490 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: [ 3983, 3984, 3985, 3986 ] - atom: 37 pair_distance: 5.62964233 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: [ 3987, 3988, 3989, 3990 ] - atom: 39 pair_distance: 7.56018075 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: [ 3991, 3992, 3993, 3994 ] - atom: 41 pair_distance: 0.00000000 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3995, 3996 ] - atom: 42 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3997, 3998 ] - atom: 43 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 3999, 4000 ] - atom: 44 pair_distance: 7.13630999 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4001, 4002 ] - atom: 45 pair_distance: 3.56444536 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: [ 4003, 4004, 4005, 4006 ] - atom: 47 pair_distance: 6.17808473 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: [ 4007, 4008, 4009, 4010 ] - atom: 49 pair_distance: 3.56815500 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4011, 4012, 4013, 4014, 4015, 4016 ] - atom: 53 pair_distance: 8.39272512 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4017, 4018 ] - atom: 54 pair_distance: 9.79292066 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4019, 4020 ] - atom: 55 pair_distance: 9.79292066 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4021, 4022 ] - atom: 56 pair_distance: 11.01656731 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4023, 4024 ] - atom: 57 pair_distance: 6.39377845 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: [ 4025, 4026, 4027, 4028 ] - atom: 58 pair_distance: 8.14517421 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: [ 4029, 4030, 4031, 4032 ] - atom: 61 pair_distance: 9.11973492 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4033, 4034, 4035, 4036, 4037, 4038 ] - atom: 65 pair_distance: 3.54646588 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: [ 4039, 4040, 4041, 4042 ] - atom: 67 pair_distance: 6.16772895 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: [ 4043, 4044, 4045, 4046 ] - atom: 69 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4047, 4048, 4049, 4050, 4051, 4052 ] - atom: 73 pair_distance: 11.14875472 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: [ 4053, 4054, 4055, 4056 ] - atom: 74 pair_distance: 12.23757296 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: [ 4057, 4058, 4059, 4060 ] - atom: 77 pair_distance: 13.37732348 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4061, 4062 ] - atom: 78 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4063, 4064 ] - atom: 79 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4065, 4066 ] - atom: 80 pair_distance: 15.16178432 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4067, 4068 ] - atom: 81 pair_distance: 6.13008572 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4069, 4070, 4071, 4072, 4073, 4074 ] - atom: 85 pair_distance: 7.91530865 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: [ 4075, 4076, 4077, 4078 ] - atom: 87 pair_distance: 9.38698946 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: [ 4079, 4080, 4081, 4082 ] - atom: 89 pair_distance: 4.98459836 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4083, 4084 ] - atom: 90 pair_distance: 7.09293176 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4085, 4086 ] - atom: 91 pair_distance: 7.09293176 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4087, 4088 ] - atom: 92 pair_distance: 8.70477692 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4089, 4090 ] - atom: 93 pair_distance: 11.17361262 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: [ 4091, 4092, 4093, 4094 ] - atom: 94 pair_distance: 12.26022345 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: [ 4095, 4096, 4097, 4098 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 19 paired_with: - atom: 1 pair_distance: 3.47284949 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: [ 4099, 4100, 4101, 4102 ] - atom: 2 pair_distance: 6.12569537 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: [ 4103, 4104, 4105, 4106 ] - atom: 3 pair_distance: 6.12569537 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: [ 4107, 4108, 4109, 4110 ] - atom: 4 pair_distance: 7.93647302 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: [ 4111, 4112, 4113, 4114 ] - atom: 5 pair_distance: 3.57003227 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4115, 4116, 4117, 4118, 4119, 4120 ] - atom: 6 pair_distance: 3.57003227 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4121, 4122, 4123, 4124, 4125, 4126 ] - atom: 9 pair_distance: 6.15085366 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4127, 4128, 4129, 4130, 4131, 4132 ] - atom: 10 pair_distance: 6.15085366 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4133, 4134, 4135, 4136, 4137, 4138 ] - atom: 13 pair_distance: 10.52759873 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4139, 4140, 4141, 4142, 4143, 4144 ] - atom: 14 pair_distance: 10.52759873 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4145, 4146, 4147, 4148, 4149, 4150 ] - atom: 17 pair_distance: 13.26156380 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: [ 4151, 4152, 4153, 4154 ] - atom: 18 pair_distance: 14.18916963 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: [ 4155, 4156, 4157, 4158 ] - atom: 19 pair_distance: 14.18916963 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: [ 4159, 4160, 4161, 4162 ] - atom: 20 pair_distance: 15.05974750 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: [ 4163, 4164, 4165, 4166 ] - atom: 21 pair_distance: 8.36720665 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: [ 4167, 4168, 4169, 4170 ] - atom: 22 pair_distance: 9.77105968 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: [ 4171, 4172, 4173, 4174 ] - atom: 23 pair_distance: 9.77105968 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: [ 4175, 4176, 4177, 4178 ] - atom: 24 pair_distance: 10.99713906 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: [ 4179, 4180, 4181, 4182 ] - atom: 25 pair_distance: 2.46982147 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: [ 4183, 4184, 4185, 4186 ] - atom: 26 pair_distance: 5.61813833 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: [ 4187, 4188, 4189, 4190 ] - atom: 27 pair_distance: 5.61813833 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: [ 4191, 4192, 4193, 4194 ] - atom: 28 pair_distance: 7.55161827 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: [ 4195, 4196, 4197, 4198 ] - atom: 29 pair_distance: 6.83261482 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4199, 4200, 4201, 4202, 4203, 4204 ] - atom: 30 pair_distance: 6.83261482 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4205, 4206, 4207, 4208, 4209, 4210 ] - atom: 33 pair_distance: 11.47629426 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4211, 4212, 4213, 4214, 4215, 4216 ] - atom: 34 pair_distance: 11.47629426 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4217, 4218, 4219, 4220, 4221, 4222 ] - atom: 37 pair_distance: 7.55041218 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: [ 4223, 4224, 4225, 4226 ] - atom: 38 pair_distance: 9.08141973 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: [ 4227, 4228, 4229, 4230 ] - atom: 39 pair_distance: 9.08141973 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: [ 4231, 4232, 4233, 4234 ] - atom: 40 pair_distance: 10.38920808 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: [ 4235, 4236, 4237, 4238 ] - atom: 41 pair_distance: 3.56444536 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: [ 4239, 4240, 4241, 4242 ] - atom: 42 pair_distance: 3.56444536 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: [ 4243, 4244, 4245, 4246 ] - atom: 43 pair_distance: 6.17808473 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: [ 4247, 4248, 4249, 4250 ] - atom: 44 pair_distance: 6.17808473 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: [ 4251, 4252, 4253, 4254 ] - atom: 45 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: [ 4255, 4256, 4257, 4258 ] - atom: 46 pair_distance: 5.04613319 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: [ 4259, 4260, 4261, 4262 ] - atom: 47 pair_distance: 5.04613319 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: [ 4263, 4264, 4265, 4266 ] - atom: 48 pair_distance: 7.13630999 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: [ 4267, 4268, 4269, 4270 ] - atom: 49 pair_distance: 3.56444536 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4271, 4272, 4273, 4274, 4275, 4276 ] - atom: 50 pair_distance: 6.17808473 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4277, 4278, 4279, 4280, 4281, 4282 ] - atom: 53 pair_distance: 6.39377845 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: [ 4283, 4284, 4285, 4286 ] - atom: 54 pair_distance: 6.39377845 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: [ 4287, 4288, 4289, 4290 ] - atom: 55 pair_distance: 8.14517421 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: [ 4291, 4292, 4293, 4294 ] - atom: 56 pair_distance: 8.14517421 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: [ 4295, 4296, 4297, 4298 ] - atom: 57 pair_distance: 4.89916137 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4299, 4300, 4301, 4302, 4303, 4304 ] - atom: 58 pair_distance: 4.89916137 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4305, 4306, 4307, 4308, 4309, 4310 ] - atom: 61 pair_distance: 6.39377845 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4311, 4312, 4313, 4314, 4315, 4316 ] - atom: 62 pair_distance: 8.14517421 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4317, 4318, 4319, 4320, 4321, 4322 ] - atom: 65 pair_distance: 5.01011683 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: [ 4323, 4324, 4325, 4326 ] - atom: 66 pair_distance: 7.11088819 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: [ 4327, 4328, 4329, 4330 ] - atom: 67 pair_distance: 7.11088819 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: [ 4331, 4332, 4333, 4334 ] - atom: 68 pair_distance: 8.71941460 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: [ 4335, 4336, 4337, 4338 ] - atom: 69 pair_distance: 11.14875472 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4339, 4340, 4341, 4342, 4343, 4344 ] - atom: 70 pair_distance: 12.23757296 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4345, 4346, 4347, 4348, 4349, 4350 ] - atom: 73 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4351, 4352, 4353, 4354, 4355, 4356 ] - atom: 74 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4357, 4358, 4359, 4360, 4361, 4362 ] - atom: 77 pair_distance: 11.14875472 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: [ 4363, 4364, 4365, 4366 ] - atom: 78 pair_distance: 11.14875472 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: [ 4367, 4368, 4369, 4370 ] - atom: 79 pair_distance: 12.23757296 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: [ 4371, 4372, 4373, 4374 ] - atom: 80 pair_distance: 12.23757296 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: [ 4375, 4376, 4377, 4378 ] - atom: 81 pair_distance: 7.91530865 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4379, 4380, 4381, 4382, 4383, 4384 ] - atom: 82 pair_distance: 9.38698946 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4385, 4386, 4387, 4388, 4389, 4390 ] - atom: 85 pair_distance: 10.02023365 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: [ 4391, 4392, 4393, 4394 ] - atom: 86 pair_distance: 11.21911506 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: [ 4395, 4396, 4397, 4398 ] - atom: 87 pair_distance: 11.21911506 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: [ 4399, 4400, 4401, 4402 ] - atom: 88 pair_distance: 12.30170731 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: [ 4403, 4404, 4405, 4406 ] - atom: 89 pair_distance: 7.91530865 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: [ 4407, 4408, 4409, 4410 ] - atom: 90 pair_distance: 7.91530865 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: [ 4411, 4412, 4413, 4414 ] - atom: 91 pair_distance: 9.38698946 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: [ 4415, 4416, 4417, 4418 ] - atom: 92 pair_distance: 9.38698946 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: [ 4419, 4420, 4421, 4422 ] - atom: 93 pair_distance: 9.09625622 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4423, 4424, 4425, 4426, 4427, 4428 ] - atom: 94 pair_distance: 9.09625622 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4429, 4430, 4431, 4432, 4433, 4434 ]- atom: 45 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 20 paired_with: - atom: 1 pair_distance: 3.47284949 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: [ 4435, 4436, 4437, 4438 ] - atom: 2 pair_distance: 6.12569537 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: [ 4439, 4440, 4441, 4442 ] - atom: 3 pair_distance: 6.12569537 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: [ 4443, 4444, 4445, 4446 ] - atom: 4 pair_distance: 7.93647302 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: [ 4447, 4448, 4449, 4450 ] - atom: 5 pair_distance: 3.57003227 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4451, 4452, 4453, 4454, 4455, 4456 ] - atom: 6 pair_distance: 3.57003227 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4457, 4458, 4459, 4460, 4461, 4462 ] - atom: 9 pair_distance: 6.15085366 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4463, 4464, 4465, 4466, 4467, 4468 ] - atom: 10 pair_distance: 6.15085366 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4469, 4470, 4471, 4472, 4473, 4474 ] - atom: 13 pair_distance: 10.52759873 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4475, 4476, 4477, 4478, 4479, 4480 ] - atom: 14 pair_distance: 10.52759873 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4481, 4482, 4483, 4484, 4485, 4486 ] - atom: 17 pair_distance: 13.26156380 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: [ 4487, 4488, 4489, 4490 ] - atom: 18 pair_distance: 14.18916963 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: [ 4491, 4492, 4493, 4494 ] - atom: 19 pair_distance: 14.18916963 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: [ 4495, 4496, 4497, 4498 ] - atom: 20 pair_distance: 15.05974750 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: [ 4499, 4500, 4501, 4502 ] - atom: 21 pair_distance: 8.36720665 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: [ 4503, 4504, 4505, 4506 ] - atom: 22 pair_distance: 9.77105968 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: [ 4507, 4508, 4509, 4510 ] - atom: 23 pair_distance: 9.77105968 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: [ 4511, 4512, 4513, 4514 ] - atom: 24 pair_distance: 10.99713906 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: [ 4515, 4516, 4517, 4518 ] - atom: 25 pair_distance: 2.46982147 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: [ 4519, 4520, 4521, 4522 ] - atom: 26 pair_distance: 5.61813833 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: [ 4523, 4524, 4525, 4526 ] - atom: 27 pair_distance: 5.61813833 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: [ 4527, 4528, 4529, 4530 ] - atom: 28 pair_distance: 7.55161827 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: [ 4531, 4532, 4533, 4534 ] - atom: 29 pair_distance: 6.83261482 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4535, 4536, 4537, 4538, 4539, 4540 ] - atom: 30 pair_distance: 6.83261482 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4541, 4542, 4543, 4544, 4545, 4546 ] - atom: 33 pair_distance: 11.47629426 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4547, 4548, 4549, 4550, 4551, 4552 ] - atom: 34 pair_distance: 11.47629426 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4553, 4554, 4555, 4556, 4557, 4558 ] - atom: 37 pair_distance: 7.55041218 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: [ 4559, 4560, 4561, 4562 ] - atom: 38 pair_distance: 9.08141973 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: [ 4563, 4564, 4565, 4566 ] - atom: 39 pair_distance: 9.08141973 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: [ 4567, 4568, 4569, 4570 ] - atom: 40 pair_distance: 10.38920808 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: [ 4571, 4572, 4573, 4574 ] - atom: 41 pair_distance: 3.56444536 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: [ 4575, 4576, 4577, 4578 ] - atom: 42 pair_distance: 3.56444536 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: [ 4579, 4580, 4581, 4582 ] - atom: 43 pair_distance: 6.17808473 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: [ 4583, 4584, 4585, 4586 ] - atom: 44 pair_distance: 6.17808473 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: [ 4587, 4588, 4589, 4590 ] - atom: 45 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: [ 4591, 4592, 4593, 4594 ] - atom: 46 pair_distance: 5.04613319 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: [ 4595, 4596, 4597, 4598 ] - atom: 47 pair_distance: 5.04613319 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: [ 4599, 4600, 4601, 4602 ] - atom: 48 pair_distance: 7.13630999 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: [ 4603, 4604, 4605, 4606 ] - atom: 49 pair_distance: 3.56444536 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4607, 4608, 4609, 4610, 4611, 4612 ] - atom: 50 pair_distance: 6.17808473 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4613, 4614, 4615, 4616, 4617, 4618 ] - atom: 53 pair_distance: 6.39377845 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: [ 4619, 4620, 4621, 4622 ] - atom: 54 pair_distance: 6.39377845 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: [ 4623, 4624, 4625, 4626 ] - atom: 55 pair_distance: 8.14517421 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: [ 4627, 4628, 4629, 4630 ] - atom: 56 pair_distance: 8.14517421 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: [ 4631, 4632, 4633, 4634 ] - atom: 57 pair_distance: 4.89916137 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4635, 4636, 4637, 4638, 4639, 4640 ] - atom: 58 pair_distance: 4.89916137 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4641, 4642, 4643, 4644, 4645, 4646 ] - atom: 61 pair_distance: 6.39377845 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4647, 4648, 4649, 4650, 4651, 4652 ] - atom: 62 pair_distance: 8.14517421 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4653, 4654, 4655, 4656, 4657, 4658 ] - atom: 65 pair_distance: 5.01011683 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: [ 4659, 4660, 4661, 4662 ] - atom: 66 pair_distance: 7.11088819 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: [ 4663, 4664, 4665, 4666 ] - atom: 67 pair_distance: 7.11088819 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: [ 4667, 4668, 4669, 4670 ] - atom: 68 pair_distance: 8.71941460 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: [ 4671, 4672, 4673, 4674 ] - atom: 69 pair_distance: 11.14875472 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4675, 4676, 4677, 4678, 4679, 4680 ] - atom: 70 pair_distance: 12.23757296 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4681, 4682, 4683, 4684, 4685, 4686 ] - atom: 73 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4687, 4688, 4689, 4690, 4691, 4692 ] - atom: 74 pair_distance: 13.84501764 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4693, 4694, 4695, 4696, 4697, 4698 ] - atom: 77 pair_distance: 11.14875472 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: [ 4699, 4700, 4701, 4702 ] - atom: 78 pair_distance: 11.14875472 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: [ 4703, 4704, 4705, 4706 ] - atom: 79 pair_distance: 12.23757296 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: [ 4707, 4708, 4709, 4710 ] - atom: 80 pair_distance: 12.23757296 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: [ 4711, 4712, 4713, 4714 ] - atom: 81 pair_distance: 7.91530865 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4715, 4716, 4717, 4718, 4719, 4720 ] - atom: 82 pair_distance: 9.38698946 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4721, 4722, 4723, 4724, 4725, 4726 ] - atom: 85 pair_distance: 10.02023365 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: [ 4727, 4728, 4729, 4730 ] - atom: 86 pair_distance: 11.21911506 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: [ 4731, 4732, 4733, 4734 ] - atom: 87 pair_distance: 11.21911506 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: [ 4735, 4736, 4737, 4738 ] - atom: 88 pair_distance: 12.30170731 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: [ 4739, 4740, 4741, 4742 ] - atom: 89 pair_distance: 7.91530865 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: [ 4743, 4744, 4745, 4746 ] - atom: 90 pair_distance: 7.91530865 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: [ 4747, 4748, 4749, 4750 ] - atom: 91 pair_distance: 9.38698946 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: [ 4751, 4752, 4753, 4754 ] - atom: 92 pair_distance: 9.38698946 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: [ 4755, 4756, 4757, 4758 ] - atom: 93 pair_distance: 9.09625622 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4759, 4760, 4761, 4762, 4763, 4764 ] - atom: 94 pair_distance: 9.09625622 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 4765, 4766, 4767, 4768, 4769, 4770 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_id: 21 paired_with: - atom: 1 pair_distance: 3.47284949 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4771, 4772 ] - atom: 2 pair_distance: 6.12569537 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4773, 4774 ] - atom: 4 pair_distance: 7.93647302 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4775, 4776 ] - atom: 5 pair_distance: 3.57003227 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: [ 4777, 4778, 4779, 4780 ] - atom: 9 pair_distance: 6.15085366 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: [ 4781, 4782, 4783, 4784 ] - atom: 13 pair_distance: 10.52759873 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: [ 4785, 4786, 4787, 4788 ] - atom: 17 pair_distance: 13.26156380 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4789, 4790 ] - atom: 18 pair_distance: 14.18916963 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4791, 4792 ] - atom: 20 pair_distance: 15.05974750 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4793, 4794 ] - atom: 21 pair_distance: 8.36720665 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4795, 4796 ] - atom: 22 pair_distance: 9.77105968 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4797, 4798 ] - atom: 24 pair_distance: 10.99713906 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4799, 4800 ] - atom: 25 pair_distance: 2.46982147 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4801, 4802 ] - atom: 26 pair_distance: 5.61813833 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4803, 4804 ] - atom: 28 pair_distance: 7.55161827 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4805, 4806 ] - atom: 29 pair_distance: 6.83261482 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: [ 4807, 4808, 4809, 4810 ] - atom: 33 pair_distance: 11.47629426 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: [ 4811, 4812, 4813, 4814 ] - atom: 37 pair_distance: 7.55041218 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4815, 4816 ] - atom: 38 pair_distance: 9.08141973 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4817, 4818 ] - atom: 40 pair_distance: 10.38920808 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4819, 4820 ] - atom: 41 pair_distance: 3.56444536 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: [ 4821, 4822, 4823, 4824 ] - atom: 43 pair_distance: 6.17808473 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: [ 4825, 4826, 4827, 4828 ] - atom: 45 pair_distance: 0.00000000 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4829, 4830 ] - atom: 46 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4831, 4832 ] - atom: 48 pair_distance: 7.13630999 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4833, 4834 ] - atom: 53 pair_distance: 6.39377845 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: [ 4835, 4836, 4837, 4838 ] - atom: 55 pair_distance: 8.14517421 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: [ 4839, 4840, 4841, 4842 ] - atom: 57 pair_distance: 4.89916137 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: [ 4843, 4844, 4845, 4846 ] - atom: 65 pair_distance: 5.01011683 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4847, 4848 ] - atom: 66 pair_distance: 7.11088819 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4849, 4850 ] - atom: 68 pair_distance: 8.71941460 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4851, 4852 ] - atom: 69 pair_distance: 11.14875472 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: [ 4853, 4854, 4855, 4856 ] - atom: 70 pair_distance: 12.23757296 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: [ 4857, 4858, 4859, 4860 ] - atom: 73 pair_distance: 13.84501764 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: [ 4861, 4862, 4863, 4864 ] - atom: 81 pair_distance: 7.91530865 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: [ 4865, 4866, 4867, 4868 ] - atom: 82 pair_distance: 9.38698946 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: [ 4869, 4870, 4871, 4872 ] - atom: 85 pair_distance: 10.02023365 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4873, 4874 ] - atom: 86 pair_distance: 11.21911506 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4875, 4876 ] - atom: 88 pair_distance: 12.30170731 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4877, 4878 ] - atom: 93 pair_distance: 9.09625622 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: [ 4879, 4880, 4881, 4882 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_id: 22 paired_with: - atom: 1 pair_distance: 3.47284949 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4883, 4884 ] - atom: 2 pair_distance: 6.12569537 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4885, 4886 ] - atom: 4 pair_distance: 7.93647302 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4887, 4888 ] - atom: 5 pair_distance: 3.57003227 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: [ 4889, 4890, 4891, 4892 ] - atom: 9 pair_distance: 6.15085366 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: [ 4893, 4894, 4895, 4896 ] - atom: 13 pair_distance: 10.52759873 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: [ 4897, 4898, 4899, 4900 ] - atom: 17 pair_distance: 13.26156380 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4901, 4902 ] - atom: 18 pair_distance: 14.18916963 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4903, 4904 ] - atom: 20 pair_distance: 15.05974750 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4905, 4906 ] - atom: 21 pair_distance: 8.36720665 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4907, 4908 ] - atom: 22 pair_distance: 9.77105968 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4909, 4910 ] - atom: 24 pair_distance: 10.99713906 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4911, 4912 ] - atom: 25 pair_distance: 2.46982147 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4913, 4914 ] - atom: 26 pair_distance: 5.61813833 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4915, 4916 ] - atom: 28 pair_distance: 7.55161827 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4917, 4918 ] - atom: 29 pair_distance: 6.83261482 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: [ 4919, 4920, 4921, 4922 ] - atom: 33 pair_distance: 11.47629426 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: [ 4923, 4924, 4925, 4926 ] - atom: 37 pair_distance: 7.55041218 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4927, 4928 ] - atom: 38 pair_distance: 9.08141973 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4929, 4930 ] - atom: 40 pair_distance: 10.38920808 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4931, 4932 ] - atom: 41 pair_distance: 3.56444536 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: [ 4933, 4934, 4935, 4936 ] - atom: 43 pair_distance: 6.17808473 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: [ 4937, 4938, 4939, 4940 ] - atom: 45 pair_distance: 0.00000000 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4941, 4942 ] - atom: 46 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4943, 4944 ] - atom: 48 pair_distance: 7.13630999 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4945, 4946 ] - atom: 53 pair_distance: 6.39377845 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: [ 4947, 4948, 4949, 4950 ] - atom: 55 pair_distance: 8.14517421 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: [ 4951, 4952, 4953, 4954 ] - atom: 57 pair_distance: 4.89916137 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: [ 4955, 4956, 4957, 4958 ] - atom: 65 pair_distance: 5.01011683 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4959, 4960 ] - atom: 66 pair_distance: 7.11088819 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4961, 4962 ] - atom: 68 pair_distance: 8.71941460 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4963, 4964 ] - atom: 69 pair_distance: 11.14875472 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: [ 4965, 4966, 4967, 4968 ] - atom: 70 pair_distance: 12.23757296 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: [ 4969, 4970, 4971, 4972 ] - atom: 73 pair_distance: 13.84501764 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: [ 4973, 4974, 4975, 4976 ] - atom: 81 pair_distance: 7.91530865 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: [ 4977, 4978, 4979, 4980 ] - atom: 82 pair_distance: 9.38698946 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: [ 4981, 4982, 4983, 4984 ] - atom: 85 pair_distance: 10.02023365 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4985, 4986 ] - atom: 86 pair_distance: 11.21911506 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 4987, 4988 ] - atom: 88 pair_distance: 12.30170731 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 4989, 4990 ] - atom: 93 pair_distance: 9.09625622 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: [ 4991, 4992, 4993, 4994 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 23 paired_with: - atom: 1 pair_distance: 8.48296632 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: [ 4995, 4996, 4997, 4998 ] - atom: 2 pair_distance: 9.87036867 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: [ 4999, 5000, 5001, 5002 ] - atom: 3 pair_distance: 9.87036867 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: [ 5003, 5004, 5005, 5006 ] - atom: 4 pair_distance: 11.08546968 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: [ 5007, 5008, 5009, 5010 ] - atom: 5 pair_distance: 6.05693504 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5011, 5012, 5013, 5014, 5015, 5016 ] - atom: 6 pair_distance: 6.05693504 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5017, 5018, 5019, 5020, 5021, 5022 ] - atom: 9 pair_distance: 3.56815500 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 5023, 5024, 5025, 5026 ] - atom: 10 pair_distance: 3.56815500 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 5027, 5028, 5029, 5030 ] - atom: 21 pair_distance: 13.37732348 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5031, 5032 ] - atom: 22 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5033, 5034 ] - atom: 23 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5035, 5036 ] - atom: 24 pair_distance: 15.16178432 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5037, 5038 ] - atom: 25 pair_distance: 2.54029535 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: [ 5039, 5040, 5041, 5042 ] - atom: 26 pair_distance: 5.64947437 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: [ 5043, 5044, 5045, 5046 ] - atom: 27 pair_distance: 5.64947437 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: [ 5047, 5048, 5049, 5050 ] - atom: 28 pair_distance: 7.57496012 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: [ 5051, 5052, 5053, 5054 ] - atom: 29 pair_distance: 11.40933428 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5055, 5056, 5057, 5058, 5059, 5060 ] - atom: 30 pair_distance: 11.40933428 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5061, 5062, 5063, 5064, 5065, 5066 ] - atom: 41 pair_distance: 3.54646588 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: [ 5067, 5068, 5069, 5070 ] - atom: 42 pair_distance: 3.54646588 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: [ 5071, 5072, 5073, 5074 ] - atom: 43 pair_distance: 6.16772895 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: [ 5075, 5076, 5077, 5078 ] - atom: 44 pair_distance: 6.16772895 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: [ 5079, 5080, 5081, 5082 ] - atom: 45 pair_distance: 5.01011683 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: [ 5083, 5084, 5085, 5086 ] - atom: 46 pair_distance: 7.11088819 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: [ 5087, 5088, 5089, 5090 ] - atom: 47 pair_distance: 7.11088819 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: [ 5091, 5092, 5093, 5094 ] - atom: 48 pair_distance: 8.71941460 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: [ 5095, 5096, 5097, 5098 ] - atom: 49 pair_distance: 3.54646588 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5099, 5100, 5101, 5102, 5103, 5104 ] - atom: 50 pair_distance: 6.16772895 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5105, 5106, 5107, 5108, 5109, 5110 ] - atom: 53 pair_distance: 11.17361262 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: [ 5111, 5112, 5113, 5114 ] - atom: 54 pair_distance: 11.17361262 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: [ 5115, 5116, 5117, 5118 ] - atom: 55 pair_distance: 12.26022345 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: [ 5119, 5120, 5121, 5122 ] - atom: 56 pair_distance: 12.26022345 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: [ 5123, 5124, 5125, 5126 ] - atom: 57 pair_distance: 9.09625622 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5127, 5128, 5129, 5130, 5131, 5132 ] - atom: 58 pair_distance: 9.09625622 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5133, 5134, 5135, 5136, 5137, 5138 ] - atom: 61 pair_distance: 11.17361262 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5139, 5140, 5141, 5142, 5143, 5144 ] - atom: 62 pair_distance: 12.26022345 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5145, 5146, 5147, 5148, 5149, 5150 ] - atom: 65 pair_distance: 0.00000000 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5151, 5152 ] - atom: 66 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5153, 5154 ] - atom: 67 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5155, 5156 ] - atom: 68 pair_distance: 7.13630999 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5157, 5158 ] - atom: 93 pair_distance: 13.84501764 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 5159, 5160, 5161, 5162 ] - atom: 94 pair_distance: 13.84501764 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 5163, 5164, 5165, 5166 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] displacement_id: 24 paired_with: - atom: 1 pair_distance: 8.48296632 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: [ 5167, 5168, 5169, 5170 ] - atom: 2 pair_distance: 9.87036867 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: [ 5171, 5172, 5173, 5174 ] - atom: 3 pair_distance: 9.87036867 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: [ 5175, 5176, 5177, 5178 ] - atom: 4 pair_distance: 11.08546968 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: [ 5179, 5180, 5181, 5182 ] - atom: 5 pair_distance: 6.05693504 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5183, 5184, 5185, 5186, 5187, 5188 ] - atom: 6 pair_distance: 6.05693504 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5189, 5190, 5191, 5192, 5193, 5194 ] - atom: 9 pair_distance: 3.56815500 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 5195, 5196, 5197, 5198 ] - atom: 10 pair_distance: 3.56815500 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 5199, 5200, 5201, 5202 ] - atom: 21 pair_distance: 13.37732348 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5203, 5204 ] - atom: 22 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5205, 5206 ] - atom: 23 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5207, 5208 ] - atom: 24 pair_distance: 15.16178432 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5209, 5210 ] - atom: 25 pair_distance: 2.54029535 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: [ 5211, 5212, 5213, 5214 ] - atom: 26 pair_distance: 5.64947437 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: [ 5215, 5216, 5217, 5218 ] - atom: 27 pair_distance: 5.64947437 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: [ 5219, 5220, 5221, 5222 ] - atom: 28 pair_distance: 7.57496012 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: [ 5223, 5224, 5225, 5226 ] - atom: 29 pair_distance: 11.40933428 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5227, 5228, 5229, 5230, 5231, 5232 ] - atom: 30 pair_distance: 11.40933428 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5233, 5234, 5235, 5236, 5237, 5238 ] - atom: 41 pair_distance: 3.54646588 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: [ 5239, 5240, 5241, 5242 ] - atom: 42 pair_distance: 3.54646588 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: [ 5243, 5244, 5245, 5246 ] - atom: 43 pair_distance: 6.16772895 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: [ 5247, 5248, 5249, 5250 ] - atom: 44 pair_distance: 6.16772895 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: [ 5251, 5252, 5253, 5254 ] - atom: 45 pair_distance: 5.01011683 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: [ 5255, 5256, 5257, 5258 ] - atom: 46 pair_distance: 7.11088819 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: [ 5259, 5260, 5261, 5262 ] - atom: 47 pair_distance: 7.11088819 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: [ 5263, 5264, 5265, 5266 ] - atom: 48 pair_distance: 8.71941460 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: [ 5267, 5268, 5269, 5270 ] - atom: 49 pair_distance: 3.54646588 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5271, 5272, 5273, 5274, 5275, 5276 ] - atom: 50 pair_distance: 6.16772895 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5277, 5278, 5279, 5280, 5281, 5282 ] - atom: 53 pair_distance: 11.17361262 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: [ 5283, 5284, 5285, 5286 ] - atom: 54 pair_distance: 11.17361262 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: [ 5287, 5288, 5289, 5290 ] - atom: 55 pair_distance: 12.26022345 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: [ 5291, 5292, 5293, 5294 ] - atom: 56 pair_distance: 12.26022345 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: [ 5295, 5296, 5297, 5298 ] - atom: 57 pair_distance: 9.09625622 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5299, 5300, 5301, 5302, 5303, 5304 ] - atom: 58 pair_distance: 9.09625622 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5305, 5306, 5307, 5308, 5309, 5310 ] - atom: 61 pair_distance: 11.17361262 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5311, 5312, 5313, 5314, 5315, 5316 ] - atom: 62 pair_distance: 12.26022345 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 5317, 5318, 5319, 5320, 5321, 5322 ] - atom: 65 pair_distance: 0.00000000 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5323, 5324 ] - atom: 66 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5325, 5326 ] - atom: 67 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5327, 5328 ] - atom: 68 pair_distance: 7.13630999 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5329, 5330 ] - atom: 93 pair_distance: 13.84501764 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 5331, 5332, 5333, 5334 ] - atom: 94 pair_distance: 13.84501764 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] displacement_ids: [ 5335, 5336, 5337, 5338 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] displacement_id: 25 paired_with: - atom: 1 pair_distance: 8.48296632 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5339, 5340 ] - atom: 2 pair_distance: 9.87036867 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5341, 5342 ] - atom: 4 pair_distance: 11.08546968 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5343, 5344 ] - atom: 5 pair_distance: 6.05693504 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: [ 5345, 5346, 5347, 5348 ] - atom: 9 pair_distance: 3.56815500 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: [ 5349, 5350, 5351, 5352 ] - atom: 13 pair_distance: 6.05693504 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: [ 5353, 5354, 5355, 5356 ] - atom: 17 pair_distance: 8.48296632 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5357, 5358 ] - atom: 18 pair_distance: 9.87036867 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5359, 5360 ] - atom: 20 pair_distance: 11.08546968 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5361, 5362 ] - atom: 21 pair_distance: 13.37732348 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5363, 5364 ] - atom: 22 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5365, 5366 ] - atom: 24 pair_distance: 15.16178432 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5367, 5368 ] - atom: 25 pair_distance: 2.54029535 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5369, 5370 ] - atom: 26 pair_distance: 5.64947437 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5371, 5372 ] - atom: 28 pair_distance: 7.57496012 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5373, 5374 ] - atom: 29 pair_distance: 11.40933428 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: [ 5375, 5376, 5377, 5378 ] - atom: 33 pair_distance: 11.40933428 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: [ 5379, 5380, 5381, 5382 ] - atom: 37 pair_distance: 2.54029535 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5383, 5384 ] - atom: 38 pair_distance: 5.64947437 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5385, 5386 ] - atom: 40 pair_distance: 7.57496012 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5387, 5388 ] - atom: 41 pair_distance: 3.54646588 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: [ 5389, 5390, 5391, 5392 ] - atom: 43 pair_distance: 6.16772895 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: [ 5393, 5394, 5395, 5396 ] - atom: 45 pair_distance: 5.01011683 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5397, 5398 ] - atom: 46 pair_distance: 7.11088819 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5399, 5400 ] - atom: 48 pair_distance: 8.71941460 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5401, 5402 ] - atom: 53 pair_distance: 11.17361262 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: [ 5403, 5404, 5405, 5406 ] - atom: 55 pair_distance: 12.26022345 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: [ 5407, 5408, 5409, 5410 ] - atom: 57 pair_distance: 9.09625622 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: [ 5411, 5412, 5413, 5414 ] - atom: 65 pair_distance: 0.00000000 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5415, 5416 ] - atom: 66 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5417, 5418 ] - atom: 68 pair_distance: 7.13630999 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5419, 5420 ] - atom: 69 pair_distance: 11.17361262 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: [ 5421, 5422, 5423, 5424 ] - atom: 70 pair_distance: 12.26022345 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: [ 5425, 5426, 5427, 5428 ] - atom: 73 pair_distance: 9.09625622 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: [ 5429, 5430, 5431, 5432 ] - atom: 81 pair_distance: 3.54646588 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: [ 5433, 5434, 5435, 5436 ] - atom: 82 pair_distance: 6.16772895 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: [ 5437, 5438, 5439, 5440 ] - atom: 85 pair_distance: 5.01011683 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5441, 5442 ] - atom: 86 pair_distance: 7.11088819 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5443, 5444 ] - atom: 88 pair_distance: 8.71941460 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5445, 5446 ] - atom: 93 pair_distance: 13.84501764 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: [ 5447, 5448, 5449, 5450 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_id: 26 paired_with: - atom: 1 pair_distance: 8.48296632 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5451, 5452 ] - atom: 2 pair_distance: 9.87036867 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5453, 5454 ] - atom: 4 pair_distance: 11.08546968 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5455, 5456 ] - atom: 5 pair_distance: 6.05693504 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: [ 5457, 5458, 5459, 5460 ] - atom: 9 pair_distance: 3.56815500 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: [ 5461, 5462, 5463, 5464 ] - atom: 13 pair_distance: 6.05693504 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: [ 5465, 5466, 5467, 5468 ] - atom: 17 pair_distance: 8.48296632 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5469, 5470 ] - atom: 18 pair_distance: 9.87036867 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5471, 5472 ] - atom: 20 pair_distance: 11.08546968 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5473, 5474 ] - atom: 21 pair_distance: 13.37732348 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5475, 5476 ] - atom: 22 pair_distance: 14.29742087 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5477, 5478 ] - atom: 24 pair_distance: 15.16178432 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5479, 5480 ] - atom: 25 pair_distance: 2.54029535 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5481, 5482 ] - atom: 26 pair_distance: 5.64947437 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5483, 5484 ] - atom: 28 pair_distance: 7.57496012 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5485, 5486 ] - atom: 29 pair_distance: 11.40933428 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: [ 5487, 5488, 5489, 5490 ] - atom: 33 pair_distance: 11.40933428 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: [ 5491, 5492, 5493, 5494 ] - atom: 37 pair_distance: 2.54029535 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5495, 5496 ] - atom: 38 pair_distance: 5.64947437 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5497, 5498 ] - atom: 40 pair_distance: 7.57496012 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5499, 5500 ] - atom: 41 pair_distance: 3.54646588 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: [ 5501, 5502, 5503, 5504 ] - atom: 43 pair_distance: 6.16772895 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: [ 5505, 5506, 5507, 5508 ] - atom: 45 pair_distance: 5.01011683 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5509, 5510 ] - atom: 46 pair_distance: 7.11088819 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5511, 5512 ] - atom: 48 pair_distance: 8.71941460 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5513, 5514 ] - atom: 53 pair_distance: 11.17361262 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: [ 5515, 5516, 5517, 5518 ] - atom: 55 pair_distance: 12.26022345 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: [ 5519, 5520, 5521, 5522 ] - atom: 57 pair_distance: 9.09625622 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: [ 5523, 5524, 5525, 5526 ] - atom: 65 pair_distance: 0.00000000 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5527, 5528 ] - atom: 66 pair_distance: 5.04613319 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5529, 5530 ] - atom: 68 pair_distance: 7.13630999 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5531, 5532 ] - atom: 69 pair_distance: 11.17361262 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: [ 5533, 5534, 5535, 5536 ] - atom: 70 pair_distance: 12.26022345 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: [ 5537, 5538, 5539, 5540 ] - atom: 73 pair_distance: 9.09625622 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: [ 5541, 5542, 5543, 5544 ] - atom: 81 pair_distance: 3.54646588 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: [ 5545, 5546, 5547, 5548 ] - atom: 82 pair_distance: 6.16772895 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: [ 5549, 5550, 5551, 5552 ] - atom: 85 pair_distance: 5.01011683 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5553, 5554 ] - atom: 86 pair_distance: 7.11088819 displacements: - [ 0.0033281921733319, 0.0033281921733319, 0.0088230535368853 ] - [ -0.0033281921733319, -0.0033281921733319, -0.0088230535368853 ] displacement_ids: [ 5555, 5556 ] - atom: 88 pair_distance: 8.71941460 displacements: - [ 0.0035294010269263, 0.0000000000000000, 0.0093564591802204 ] - [ -0.0035294010269263, 0.0000000000000000, -0.0093564591802204 ] displacement_ids: [ 5557, 5558 ] - atom: 93 pair_distance: 13.84501764 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: [ 5559, 5560, 5561, 5562 ]displacement_pair_info: number_of_singles: 26 number_of_pairs: 5536 duplicated_supercell_ids: # 0 means perfect supercell - [ 923, 55 ] - [ 1095, 56 ] - [ 1267, 59 ] - [ 1379, 60 ] - [ 924, 391 ] - [ 1096, 392 ] - [ 1268, 395 ] - [ 1380, 396 ] - [ 927, 709 ] - [ 1099, 710 ] - [ 1269, 711 ] - [ 1381, 712 ] - [ 928, 821 ] - [ 1100, 822 ] - [ 1270, 823 ] - [ 1382, 824 ] - [ 3733, 751 ] - [ 3917, 752 ] - [ 3734, 863 ] - [ 3918, 864 ] - [ 1519, 967 ] - [ 1855, 968 ] - [ 2173, 971 ] - [ 2285, 972 ] - [ 1520, 1139 ] - [ 1856, 1140 ] - [ 2174, 1143 ] - [ 2286, 1144 ] - [ 1523, 1297 ] - [ 1859, 1298 ] - [ 2175, 1299 ] - [ 2287, 1300 ] - [ 1524, 1409 ] - [ 1860, 1410 ] - [ 2176, 1411 ] - [ 2288, 1412 ] - [ 2415, 995 ] - [ 2751, 996 ] - [ 2416, 1167 ] - [ 2752, 1168 ] - [ 3749, 1319 ] - [ 3933, 1320 ] - [ 3750, 1431 ] - [ 3934, 1432 ] - [ 4127, 1007 ] - [ 4463, 1008 ] - [ 4781, 1011 ] - [ 4893, 1012 ] - [ 4128, 1179 ] - [ 4464, 1180 ] - [ 4782, 1183 ] - [ 4894, 1184 ] - [ 4131, 1325 ] - [ 4467, 1326 ] - [ 4783, 1327 ] - [ 4895, 1328 ] - [ 4132, 1437 ] - [ 4468, 1438 ] - [ 4784, 1439 ] - [ 4896, 1440 ] - [ 5351, 1345 ] - [ 5463, 1346 ] - [ 5352, 1457 ] - [ 5464, 1458 ] - [ 3781, 2215 ] - [ 3965, 2216 ] - [ 3782, 2327 ] - [ 3966, 2328 ] - [ 4823, 3821 ] - [ 4935, 3822 ] - [ 4824, 4005 ] - [ 4936, 4006 ] - [ 5391, 3857 ] - [ 5503, 3858 ] - [ 5392, 4041 ] - [ 5504, 4042 ]