# Fileset [phono3py_mlp_eval_fc3_disp.yaml.xz](https://mdr.nims.go.jp/filesets/0026b828-2660-4bd3-8223-bb63ad058073/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 SmZnPO / R-3m (166) / materials id 550820](https://mdr.nims.go.jp/datasets/4faa4f85-e89f-4f68-a462-0eb9cfa46f89) ## Fulltext phono3py: version: "3.21.0" frequency\_unit\_conversion\_factor: 15.633302 symmetry\_tolerance: 1.00000e-05 space\_group: type: "R-3m" number: 166 Hall\_symbol: "-R 3 2\\"" primitive\_matrix: - \[ 0.666666666666667, -0.333333333333333, -0.333333333333333 \] - \[ 0.333333333333333, 0.333333333333333, -0.666666666666667 \] - \[ 0.333333333333333, 0.333333333333333, 0.333333333333333 \] supercell\_matrix: - \[ 2, 0, 0 \] - \[ 0, 2, 0 \] - \[ 0, 0, 1 \] primitive\_cell: lattice: - \[ 1.955695834294712, 1.129121516383079, 10.142703203333323 \] # a - \[ -1.955695834294709, 1.129121516383079, 10.142703203333323 \] # b - \[ 0.000000000000002, -2.258243032766162, 10.142703203333323 \] # c points: - symbol: Zn # 1 coordinates: \[ 0.804010051741364, 0.804010051741367, 0.804010051741364 \] mass: 65.380000 - symbol: Zn # 2 coordinates: \[ 0.195989948258635, 0.195989948258639, 0.195989948258635 \] mass: 65.380000 - symbol: P # 3 coordinates: \[ 0.886740095710475, 0.886740095710478, 0.886740095710475 \] mass: 30.973762 - symbol: P # 4 coordinates: \[ 0.113259904289524, 0.113259904289527, 0.113259904289524 \] mass: 30.973762 - symbol: O # 5 coordinates: \[ 0.305086250578626, 0.305086250578630, 0.305086250578626 \] mass: 15.999400 - symbol: O # 6 coordinates: \[ 0.694913749421374, 0.694913749421376, 0.694913749421374 \] mass: 15.999400 - symbol: Sm # 7 coordinates: \[ 0.619059087718304, 0.619059087718306, 0.619059087718304 \] mass: 150.360000 - symbol: Sm # 8 coordinates: \[ 0.380940912281696, 0.380940912281697, 0.380940912281696 \] mass: 150.360000 reciprocal\_lattice: # without 2pi - \[ 0.255663478559444, 0.147607378168251, 0.032864348551951 \] # a\* - \[ -0.255663478559444, 0.147607378168251, 0.032864348551951 \] # b\* - \[ 0.000000000000000, -0.295214756336502, 0.032864348551951 \] # c\* unit\_cell: lattice: - \[ 3.911391668589421, 0.000000000000000, 0.000000000000000 \] # a - \[ -1.955695834294711, 3.387364549149242, 0.000000000000000 \] # b - \[ 0.000000000000000, 0.000000000000000, 30.428109610000000 \] # c points: - symbol: Zn # 1 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.804010051741364 \] mass: 65.380000 reduced\_to: 1 - symbol: Zn # 2 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.862656614925302 \] mass: 65.380000 reduced\_to: 2 - symbol: Zn # 3 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.137343385074698 \] mass: 65.380000 reduced\_to: 1 - symbol: Zn # 4 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.195989948258636 \] mass: 65.380000 reduced\_to: 2 - symbol: Zn # 5 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.470676718408031 \] mass: 65.380000 reduced\_to: 1 - symbol: Zn # 6 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.529323281591969 \] mass: 65.380000 reduced\_to: 2 - symbol: P # 7 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.886740095710475 \] mass: 30.973762 reduced\_to: 7 - symbol: P # 8 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.779926570956191 \] mass: 30.973762 reduced\_to: 8 - symbol: P # 9 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.220073429043809 \] mass: 30.973762 reduced\_to: 7 - symbol: P # 10 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.113259904289525 \] mass: 30.973762 reduced\_to: 8 - symbol: P # 11 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.553406762377142 \] mass: 30.973762 reduced\_to: 7 - symbol: P # 12 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.446593237622858 \] mass: 30.973762 reduced\_to: 8 - symbol: O # 13 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.971752917245293 \] mass: 15.999400 reduced\_to: 13 - symbol: O # 14 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.694913749421374 \] mass: 15.999400 reduced\_to: 14 - symbol: O # 15 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.305086250578626 \] mass: 15.999400 reduced\_to: 13 - symbol: O # 16 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.028247082754707 \] mass: 15.999400 reduced\_to: 14 - symbol: O # 17 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.638419583911960 \] mass: 15.999400 reduced\_to: 13 - symbol: O # 18 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.361580416088040 \] mass: 15.999400 reduced\_to: 14 - symbol: Sm # 19 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.952392421051637 \] mass: 150.360000 reduced\_to: 19 - symbol: Sm # 20 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.714274245615029 \] mass: 150.360000 reduced\_to: 20 - symbol: Sm # 21 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.285725754384971 \] mass: 150.360000 reduced\_to: 19 - symbol: Sm # 22 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.047607578948363 \] mass: 150.360000 reduced\_to: 20 - symbol: Sm # 23 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.619059087718304 \] mass: 150.360000 reduced\_to: 19 - symbol: Sm # 24 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.380940912281696 \] mass: 150.360000 reduced\_to: 20 supercell: lattice: - \[ 7.822783337178842, 0.000000000000000, 0.000000000000000 \] # a - \[ -3.911391668589422, 6.774729098298484, 0.000000000000000 \] # b - \[ 0.000000000000000, 0.000000000000000, 30.428109610000000 \] # c points: - symbol: Zn # 1 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.804010051741364 \] mass: 65.380000 reduced\_to: 1 - symbol: Zn # 2 coordinates: \[ 0.500000000000000, 0.000000000000000, 0.804010051741364 \] mass: 65.380000 reduced\_to: 1 - symbol: Zn # 3 coordinates: \[ 0.000000000000000, 0.500000000000000, 0.804010051741364 \] mass: 65.380000 reduced\_to: 1 - symbol: Zn # 4 coordinates: \[ 0.500000000000000, 0.500000000000000, 0.804010051741364 \] mass: 65.380000 reduced\_to: 1 - symbol: Zn # 5 coordinates: \[ 0.166666666666666, 0.333333333333333, 0.862656614925302 \] mass: 65.380000 reduced\_to: 5 - symbol: Zn # 6 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.862656614925302 \] mass: 65.380000 reduced\_to: 5 - symbol: Zn # 7 coordinates: \[ 0.166666666666666, 0.833333333333333, 0.862656614925302 \] mass: 65.380000 reduced\_to: 5 - symbol: Zn # 8 coordinates: \[ 0.666666666666667, 0.833333333333333, 0.862656614925302 \] mass: 65.380000 reduced\_to: 5 - symbol: Zn # 9 coordinates: \[ 0.333333333333333, 0.166666666666666, 0.137343385074698 \] mass: 65.380000 reduced\_to: 1 - symbol: Zn # 10 coordinates: \[ 0.833333333333333, 0.166666666666666, 0.137343385074698 \] mass: 65.380000 reduced\_to: 1 - symbol: Zn # 11 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.137343385074698 \] mass: 65.380000 reduced\_to: 1 - symbol: Zn # 12 coordinates: \[ 0.833333333333333, 0.666666666666667, 0.137343385074698 \] mass: 65.380000 reduced\_to: 1 - symbol: Zn # 13 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.195989948258636 \] mass: 65.380000 reduced\_to: 5 - symbol: Zn # 14 coordinates: \[ 0.500000000000000, 0.000000000000000, 0.195989948258636 \] mass: 65.380000 reduced\_to: 5 - symbol: Zn # 15 coordinates: \[ 0.000000000000000, 0.500000000000000, 0.195989948258636 \] mass: 65.380000 reduced\_to: 5 - symbol: Zn # 16 coordinates: \[ 0.500000000000000, 0.500000000000000, 0.195989948258636 \] mass: 65.380000 reduced\_to: 5 - symbol: Zn # 17 coordinates: \[ 0.166666666666666, 0.333333333333333, 0.470676718408031 \] mass: 65.380000 reduced\_to: 1 - symbol: Zn # 18 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.470676718408031 \] mass: 65.380000 reduced\_to: 1 - symbol: Zn # 19 coordinates: \[ 0.166666666666666, 0.833333333333333, 0.470676718408031 \] mass: 65.380000 reduced\_to: 1 - symbol: Zn # 20 coordinates: \[ 0.666666666666667, 0.833333333333333, 0.470676718408031 \] mass: 65.380000 reduced\_to: 1 - symbol: Zn # 21 coordinates: \[ 0.333333333333333, 0.166666666666666, 0.529323281591969 \] mass: 65.380000 reduced\_to: 5 - symbol: Zn # 22 coordinates: \[ 0.833333333333333, 0.166666666666666, 0.529323281591969 \] mass: 65.380000 reduced\_to: 5 - symbol: Zn # 23 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.529323281591969 \] mass: 65.380000 reduced\_to: 5 - symbol: Zn # 24 coordinates: \[ 0.833333333333333, 0.666666666666667, 0.529323281591969 \] mass: 65.380000 reduced\_to: 5 - symbol: P # 25 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.886740095710475 \] mass: 30.973762 reduced\_to: 25 - symbol: P # 26 coordinates: \[ 0.500000000000000, 0.000000000000000, 0.886740095710475 \] mass: 30.973762 reduced\_to: 25 - symbol: P # 27 coordinates: \[ 0.000000000000000, 0.500000000000000, 0.886740095710475 \] mass: 30.973762 reduced\_to: 25 - symbol: P # 28 coordinates: \[ 0.500000000000000, 0.500000000000000, 0.886740095710475 \] mass: 30.973762 reduced\_to: 25 - symbol: P # 29 coordinates: \[ 0.166666666666666, 0.333333333333333, 0.779926570956191 \] mass: 30.973762 reduced\_to: 29 - symbol: P # 30 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.779926570956191 \] mass: 30.973762 reduced\_to: 29 - symbol: P # 31 coordinates: \[ 0.166666666666666, 0.833333333333333, 0.779926570956191 \] mass: 30.973762 reduced\_to: 29 - symbol: P # 32 coordinates: \[ 0.666666666666667, 0.833333333333333, 0.779926570956191 \] mass: 30.973762 reduced\_to: 29 - symbol: P # 33 coordinates: \[ 0.333333333333333, 0.166666666666666, 0.220073429043809 \] mass: 30.973762 reduced\_to: 25 - symbol: P # 34 coordinates: \[ 0.833333333333333, 0.166666666666666, 0.220073429043809 \] mass: 30.973762 reduced\_to: 25 - symbol: P # 35 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.220073429043809 \] mass: 30.973762 reduced\_to: 25 - symbol: P # 36 coordinates: \[ 0.833333333333333, 0.666666666666667, 0.220073429043809 \] mass: 30.973762 reduced\_to: 25 - symbol: P # 37 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.113259904289525 \] mass: 30.973762 reduced\_to: 29 - symbol: P # 38 coordinates: \[ 0.500000000000000, 0.000000000000000, 0.113259904289525 \] mass: 30.973762 reduced\_to: 29 - symbol: P # 39 coordinates: \[ 0.000000000000000, 0.500000000000000, 0.113259904289525 \] mass: 30.973762 reduced\_to: 29 - symbol: P # 40 coordinates: \[ 0.500000000000000, 0.500000000000000, 0.113259904289525 \] mass: 30.973762 reduced\_to: 29 - symbol: P # 41 coordinates: \[ 0.166666666666666, 0.333333333333333, 0.553406762377142 \] mass: 30.973762 reduced\_to: 25 - symbol: P # 42 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.553406762377142 \] mass: 30.973762 reduced\_to: 25 - symbol: P # 43 coordinates: \[ 0.166666666666666, 0.833333333333333, 0.553406762377142 \] mass: 30.973762 reduced\_to: 25 - symbol: P # 44 coordinates: \[ 0.666666666666667, 0.833333333333333, 0.553406762377142 \] mass: 30.973762 reduced\_to: 25 - symbol: P # 45 coordinates: \[ 0.333333333333333, 0.166666666666666, 0.446593237622858 \] mass: 30.973762 reduced\_to: 29 - symbol: P # 46 coordinates: \[ 0.833333333333333, 0.166666666666666, 0.446593237622858 \] mass: 30.973762 reduced\_to: 29 - symbol: P # 47 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.446593237622858 \] mass: 30.973762 reduced\_to: 29 - symbol: P # 48 coordinates: \[ 0.833333333333333, 0.666666666666667, 0.446593237622858 \] mass: 30.973762 reduced\_to: 29 - symbol: O # 49 coordinates: \[ 0.166666666666666, 0.333333333333333, 0.971752917245293 \] mass: 15.999400 reduced\_to: 49 - symbol: O # 50 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.971752917245293 \] mass: 15.999400 reduced\_to: 49 - symbol: O # 51 coordinates: \[ 0.166666666666666, 0.833333333333333, 0.971752917245293 \] mass: 15.999400 reduced\_to: 49 - symbol: O # 52 coordinates: \[ 0.666666666666667, 0.833333333333333, 0.971752917245293 \] mass: 15.999400 reduced\_to: 49 - symbol: O # 53 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.694913749421374 \] mass: 15.999400 reduced\_to: 53 - symbol: O # 54 coordinates: \[ 0.500000000000000, 0.000000000000000, 0.694913749421374 \] mass: 15.999400 reduced\_to: 53 - symbol: O # 55 coordinates: \[ 0.000000000000000, 0.500000000000000, 0.694913749421374 \] mass: 15.999400 reduced\_to: 53 - symbol: O # 56 coordinates: \[ 0.500000000000000, 0.500000000000000, 0.694913749421374 \] mass: 15.999400 reduced\_to: 53 - symbol: O # 57 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.305086250578626 \] mass: 15.999400 reduced\_to: 49 - symbol: O # 58 coordinates: \[ 0.500000000000000, 0.000000000000000, 0.305086250578626 \] mass: 15.999400 reduced\_to: 49 - symbol: O # 59 coordinates: \[ 0.000000000000000, 0.500000000000000, 0.305086250578626 \] mass: 15.999400 reduced\_to: 49 - symbol: O # 60 coordinates: \[ 0.500000000000000, 0.500000000000000, 0.305086250578626 \] mass: 15.999400 reduced\_to: 49 - symbol: O # 61 coordinates: \[ 0.333333333333333, 0.166666666666666, 0.028247082754707 \] mass: 15.999400 reduced\_to: 53 - symbol: O # 62 coordinates: \[ 0.833333333333333, 0.166666666666666, 0.028247082754707 \] mass: 15.999400 reduced\_to: 53 - symbol: O # 63 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.028247082754707 \] mass: 15.999400 reduced\_to: 53 - symbol: O # 64 coordinates: \[ 0.833333333333333, 0.666666666666667, 0.028247082754707 \] mass: 15.999400 reduced\_to: 53 - symbol: O # 65 coordinates: \[ 0.333333333333333, 0.166666666666666, 0.638419583911960 \] mass: 15.999400 reduced\_to: 49 - symbol: O # 66 coordinates: \[ 0.833333333333333, 0.166666666666666, 0.638419583911960 \] mass: 15.999400 reduced\_to: 49 - symbol: O # 67 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.638419583911960 \] mass: 15.999400 reduced\_to: 49 - symbol: O # 68 coordinates: \[ 0.833333333333333, 0.666666666666667, 0.638419583911960 \] mass: 15.999400 reduced\_to: 49 - symbol: O # 69 coordinates: \[ 0.166666666666666, 0.333333333333333, 0.361580416088040 \] mass: 15.999400 reduced\_to: 53 - symbol: O # 70 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.361580416088040 \] mass: 15.999400 reduced\_to: 53 - symbol: O # 71 coordinates: \[ 0.166666666666666, 0.833333333333333, 0.361580416088040 \] mass: 15.999400 reduced\_to: 53 - symbol: O # 72 coordinates: \[ 0.666666666666667, 0.833333333333333, 0.361580416088040 \] mass: 15.999400 reduced\_to: 53 - symbol: Sm # 73 coordinates: \[ 0.333333333333333, 0.166666666666666, 0.952392421051637 \] mass: 150.360000 reduced\_to: 73 - symbol: Sm # 74 coordinates: \[ 0.833333333333333, 0.166666666666666, 0.952392421051637 \] mass: 150.360000 reduced\_to: 73 - symbol: Sm # 75 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.952392421051637 \] mass: 150.360000 reduced\_to: 73 - symbol: Sm # 76 coordinates: \[ 0.833333333333333, 0.666666666666667, 0.952392421051637 \] mass: 150.360000 reduced\_to: 73 - symbol: Sm # 77 coordinates: \[ 0.333333333333333, 0.166666666666666, 0.714274245615029 \] mass: 150.360000 reduced\_to: 77 - symbol: Sm # 78 coordinates: \[ 0.833333333333333, 0.166666666666666, 0.714274245615029 \] mass: 150.360000 reduced\_to: 77 - symbol: Sm # 79 coordinates: \[ 0.333333333333333, 0.666666666666667, 0.714274245615029 \] mass: 150.360000 reduced\_to: 77 - symbol: Sm # 80 coordinates: \[ 0.833333333333333, 0.666666666666667, 0.714274245615029 \] mass: 150.360000 reduced\_to: 77 - symbol: Sm # 81 coordinates: \[ 0.166666666666666, 0.333333333333333, 0.285725754384971 \] mass: 150.360000 reduced\_to: 73 - symbol: Sm # 82 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.285725754384971 \] mass: 150.360000 reduced\_to: 73 - symbol: Sm # 83 coordinates: \[ 0.166666666666666, 0.833333333333333, 0.285725754384971 \] mass: 150.360000 reduced\_to: 73 - symbol: Sm # 84 coordinates: \[ 0.666666666666667, 0.833333333333333, 0.285725754384971 \] mass: 150.360000 reduced\_to: 73 - symbol: Sm # 85 coordinates: \[ 0.166666666666666, 0.333333333333333, 0.047607578948363 \] mass: 150.360000 reduced\_to: 77 - symbol: Sm # 86 coordinates: \[ 0.666666666666667, 0.333333333333333, 0.047607578948363 \] mass: 150.360000 reduced\_to: 77 - symbol: Sm # 87 coordinates: \[ 0.166666666666666, 0.833333333333333, 0.047607578948363 \] mass: 150.360000 reduced\_to: 77 - symbol: Sm # 88 coordinates: \[ 0.666666666666667, 0.833333333333333, 0.047607578948363 \] mass: 150.360000 reduced\_to: 77 - symbol: Sm # 89 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.619059087718304 \] mass: 150.360000 reduced\_to: 73 - symbol: Sm # 90 coordinates: \[ 0.500000000000000, 0.000000000000000, 0.619059087718304 \] mass: 150.360000 reduced\_to: 73 - symbol: Sm # 91 coordinates: \[ 0.000000000000000, 0.500000000000000, 0.619059087718304 \] mass: 150.360000 reduced\_to: 73 - symbol: Sm # 92 coordinates: \[ 0.500000000000000, 0.500000000000000, 0.619059087718304 \] mass: 150.360000 reduced\_to: 73 - symbol: Sm # 93 coordinates: \[ 0.000000000000000, 0.000000000000000, 0.380940912281696 \] mass: 150.360000 reduced\_to: 77 - symbol: Sm # 94 coordinates: \[ 0.500000000000000, 0.000000000000000, 0.380940912281696 \] mass: 150.360000 reduced\_to: 77 - symbol: Sm # 95 coordinates: \[ 0.000000000000000, 0.500000000000000, 0.380940912281696 \] mass: 150.360000 reduced\_to: 77 - symbol: Sm # 96 coordinates: \[ 0.500000000000000, 0.500000000000000, 0.380940912281696 \] mass: 150.360000 reduced\_to: 77 nac: born\_effective\_charge: - # 1 (Zn) - \[ 1.911521689999999, 0.000000000000000, 0.000000000000000 \] - \[ 0.000000000000000, 1.911521689999999, 0.000000000000000 \] - \[ 0.000000000000000, 0.000000000000000, 1.223762289999999 \] - # 2 (Zn) - \[ 1.911521689999999, 0.000000000000000, 0.000000000000000 \] - \[ 0.000000000000000, 1.911521689999999, 0.000000000000000 \] - \[ 0.000000000000000, 0.000000000000000, 1.223762289999999 \] - # 3 (P) - \[ -3.099416129999999, 0.000000000000000, 0.000000000000000 \] - \[ 0.000000000000000, -3.099416129999999, 0.000000000000000 \] - \[ 0.000000000000000, 0.000000000000000, -2.500871810000003 \] - # 4 (P) - \[ -3.099416129999999, 0.000000000000000, 0.000000000000000 \] - \[ 0.000000000000000, -3.099416129999999, 0.000000000000000 \] - \[ 0.000000000000000, 0.000000000000000, -2.500871810000003 \] - # 5 (O) - \[ -2.805733620000000, -0.000000000000000, 0.000000000000000 \] - \[ 0.000000000000000, -2.805733620000000, 0.000000000000000 \] - \[ 0.000000000000000, 0.000000000000000, -4.047564109999999 \] - # 6 (O) - \[ -2.805733620000000, -0.000000000000000, 0.000000000000000 \] - \[ 0.000000000000000, -2.805733620000000, 0.000000000000000 \] - \[ 0.000000000000000, 0.000000000000000, -4.047564109999999 \] - # 7 (Sm) - \[ 3.993628060000000, 0.000000000000000, 0.000000000000000 \] - \[ 0.000000000000000, 3.993628060000000, 0.000000000000000 \] - \[ 0.000000000000000, 0.000000000000000, 5.324673630000002 \] - # 8 (Sm) - \[ 3.993628060000000, 0.000000000000000, 0.000000000000000 \] - \[ 0.000000000000000, 3.993628060000000, 0.000000000000000 \] - \[ 0.000000000000000, 0.000000000000000, 5.324673630000002 \] dielectric\_constant: - \[ 10.287490139999999, 0.000000000000000, 0.000000000000000 \] - \[ 0.000000000000000, 10.287490139999999, 0.000000000000000 \] - \[ 0.000000000000000, 0.000000000000000, 8.055908410000001 \] unit\_conversion\_factor: 14.399652 displacement\_pairs: - atom: 1 displacement: \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] displacement\_id: 1 paired\_with: - atom: 1 pair\_distance: 0.00000000 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 17, 18, 19, 20, 21, 22 \] - atom: 2 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 23, 24, 25, 26, 27, 28 \] - atom: 3 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 29, 30, 31, 32, 33, 34 \] - atom: 4 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 35, 36, 37, 38, 39, 40 \] - atom: 5 pair\_distance: 2.87821408 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 41, 42, 43, 44, 45, 46 \] - atom: 6 pair\_distance: 4.85624352 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 47, 48, 49, 50, 51, 52 \] - atom: 7 pair\_distance: 2.87821408 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 53, 54, 55, 56, 57, 58 \] - atom: 8 pair\_distance: 2.87821408 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 59, 60, 61, 62, 63, 64 \] - atom: 9 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 65, 66, 67, 68, 69, 70 \] - atom: 10 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 71, 72, 73, 74, 75, 76 \] - atom: 11 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 77, 78, 79, 80, 81, 82 \] - atom: 12 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 83, 84, 85, 86, 87, 88 \] - atom: 13 pair\_distance: 11.92720726 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 89, 90, 91, 92, 93, 94 \] - atom: 14 pair\_distance: 12.55218139 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 95, 96, 97, 98, 99, 100 \] - atom: 15 pair\_distance: 12.55218139 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 101, 102, 103, 104, 105, 106 \] - atom: 16 pair\_distance: 12.55218139 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 107, 108, 109, 110, 111, 112 \] - atom: 17 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 113, 114, 115, 116, 117, 118 \] - atom: 18 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 119, 120, 121, 122, 123, 124 \] - atom: 19 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 125, 126, 127, 128, 129, 130 \] - atom: 20 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 131, 132, 133, 134, 135, 136 \] - atom: 21 pair\_distance: 8.65789551 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 137, 138, 139, 140, 141, 142 \] - atom: 22 pair\_distance: 8.65789551 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 143, 144, 145, 146, 147, 148 \] - atom: 23 pair\_distance: 9.50042838 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 149, 150, 151, 152, 153, 154 \] - atom: 24 pair\_distance: 8.65789551 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 155, 156, 157, 158, 159, 160 \] - atom: 25 pair\_distance: 2.51731885 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 161, 162, 163, 164, 165, 166 \] - atom: 26 pair\_distance: 4.65143838 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 167, 168, 169, 170, 171, 172 \] - atom: 27 pair\_distance: 4.65143838 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 173, 174, 175, 176, 177, 178 \] - atom: 28 pair\_distance: 4.65143838 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 179, 180, 181, 182, 183, 184 \] - atom: 29 pair\_distance: 2.37416914 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 185, 186, 187, 188, 189, 190 \] - atom: 30 pair\_distance: 4.57555067 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 191, 192, 193, 194, 195, 196 \] - atom: 31 pair\_distance: 2.37416914 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 197, 198, 199, 200, 201, 202 \] - atom: 32 pair\_distance: 2.37416914 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 203, 204, 205, 206, 207, 208 \] - atom: 33 pair\_distance: 12.85985303 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 209, 210, 211, 212, 213, 214 \] - atom: 34 pair\_distance: 12.85985303 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 215, 216, 217, 218, 219, 220 \] - atom: 35 pair\_distance: 13.44153282 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 221, 222, 223, 224, 225, 226 \] - atom: 36 pair\_distance: 12.85985303 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 227, 228, 229, 230, 231, 232 \] - atom: 37 pair\_distance: 9.40988841 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 233, 234, 235, 236, 237, 238 \] - atom: 38 pair\_distance: 10.19043594 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 239, 240, 241, 242, 243, 244 \] - atom: 39 pair\_distance: 10.19043594 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 245, 246, 247, 248, 249, 250 \] - atom: 40 pair\_distance: 10.19043594 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 251, 252, 253, 254, 255, 256 \] - atom: 41 pair\_distance: 7.95274470 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 257, 258, 259, 260, 261, 262 \] - atom: 42 pair\_distance: 8.86256921 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 263, 264, 265, 266, 267, 268 \] - atom: 43 pair\_distance: 7.95274470 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 269, 270, 271, 272, 273, 274 \] - atom: 44 pair\_distance: 7.95274470 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 275, 276, 277, 278, 279, 280 \] - atom: 45 pair\_distance: 11.10749987 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 281, 282, 283, 284, 285, 286 \] - atom: 46 pair\_distance: 11.10749987 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 287, 288, 289, 290, 291, 292 \] - atom: 47 pair\_distance: 11.77605783 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 293, 294, 295, 296, 297, 298 \] - atom: 48 pair\_distance: 11.10749987 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 299, 300, 301, 302, 303, 304 \] - atom: 49 pair\_distance: 5.58135118 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 305, 306, 307, 308, 309, 310 \] - atom: 50 pair\_distance: 6.81545786 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 311, 312, 313, 314, 315, 316 \] - atom: 51 pair\_distance: 5.58135118 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 317, 318, 319, 320, 321, 322 \] - atom: 52 pair\_distance: 5.58135118 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 323, 324, 325, 326, 327, 328 \] - atom: 53 pair\_distance: 3.31959425 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 329, 330, 331, 332, 333, 334 \] - atom: 54 pair\_distance: 5.13017453 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 335, 336, 337, 338, 339, 340 \] - atom: 55 pair\_distance: 5.13017453 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 341, 342, 343, 344, 345, 346 \] - atom: 56 pair\_distance: 5.13017453 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 347, 348, 349, 350, 351, 352 \] - atom: 57 pair\_distance: 15.18130811 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 353, 354, 355, 356, 357, 358 \] - atom: 58 pair\_distance: 15.67708840 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 359, 360, 361, 362, 363, 364 \] - atom: 59 pair\_distance: 15.67708840 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 365, 366, 367, 368, 369, 370 \] - atom: 60 pair\_distance: 15.67708840 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 371, 372, 373, 374, 375, 376 \] - atom: 61 pair\_distance: 7.18710494 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 377, 378, 379, 380, 381, 382 \] - atom: 62 pair\_distance: 7.18710494 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 383, 384, 385, 386, 387, 388 \] - atom: 63 pair\_distance: 8.18250953 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 389, 390, 391, 392, 393, 394 \] - atom: 64 pair\_distance: 7.18710494 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 395, 396, 397, 398, 399, 400 \] - atom: 65 pair\_distance: 5.52152162 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 401, 402, 403, 404, 405, 406 \] - atom: 66 pair\_distance: 5.52152162 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 407, 408, 409, 410, 411, 412 \] - atom: 67 pair\_distance: 6.76654903 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 413, 414, 415, 416, 417, 418 \] - atom: 68 pair\_distance: 5.52152162 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 419, 420, 421, 422, 423, 424 \] - atom: 69 pair\_distance: 13.65038879 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 425, 426, 427, 428, 429, 430 \] - atom: 70 pair\_distance: 14.19972179 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 431, 432, 433, 434, 435, 436 \] - atom: 71 pair\_distance: 13.65038879 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 437, 438, 439, 440, 441, 442 \] - atom: 72 pair\_distance: 13.65038879 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 443, 444, 445, 446, 447, 448 \] - atom: 73 pair\_distance: 5.04825132 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 449, 450, 451, 452, 453, 454 \] - atom: 74 pair\_distance: 5.04825132 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 455, 456, 457, 458, 459, 460 \] - atom: 75 pair\_distance: 6.38622159 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 461, 462, 463, 464, 465, 466 \] - atom: 76 pair\_distance: 5.04825132 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 467, 468, 469, 470, 471, 472 \] - atom: 77 pair\_distance: 3.54333775 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 473, 474, 475, 476, 477, 478 \] - atom: 78 pair\_distance: 3.54333775 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 479, 480, 481, 482, 483, 484 \] - atom: 79 pair\_distance: 5.27771041 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 485, 486, 487, 488, 489, 490 \] - atom: 80 pair\_distance: 3.54333775 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 491, 492, 493, 494, 495, 496 \] - atom: 81 pair\_distance: 14.83063647 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 497, 498, 499, 500, 501, 502 \] - atom: 82 pair\_distance: 15.33775612 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 503, 504, 505, 506, 507, 508 \] - atom: 83 pair\_distance: 14.83063647 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 509, 510, 511, 512, 513, 514 \] - atom: 84 pair\_distance: 14.83063647 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 515, 516, 517, 518, 519, 520 \] - atom: 85 pair\_distance: 7.74858388 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 521, 522, 523, 524, 525, 526 \] - atom: 86 pair\_distance: 8.67983508 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 527, 528, 529, 530, 531, 532 \] - atom: 87 pair\_distance: 7.74858388 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 533, 534, 535, 536, 537, 538 \] - atom: 88 pair\_distance: 7.74858388 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 539, 540, 541, 542, 543, 544 \] - atom: 89 pair\_distance: 5.62770821 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 545, 546, 547, 548, 549, 550 \] - atom: 90 pair\_distance: 6.85347244 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 551, 552, 553, 554, 555, 556 \] - atom: 91 pair\_distance: 6.85347244 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 557, 558, 559, 560, 561, 562 \] - atom: 92 pair\_distance: 6.85347244 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 563, 564, 565, 566, 567, 568 \] - atom: 93 pair\_distance: 12.87319415 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 569, 570, 571, 572, 573, 574 \] - atom: 94 pair\_distance: 13.45429717 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 575, 576, 577, 578, 579, 580 \] - atom: 95 pair\_distance: 13.45429717 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 581, 582, 583, 584, 585, 586 \] - atom: 96 pair\_distance: 13.45429717 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 587, 588, 589, 590, 591, 592 \] - atom: 1 displacement: \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] displacement\_id: 2 paired\_with: - atom: 1 pair\_distance: 0.00000000 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 593, 594, 595, 596, 597, 598 \] - atom: 2 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 599, 600, 601, 602, 603, 604 \] - atom: 3 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 605, 606, 607, 608, 609, 610 \] - atom: 4 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 611, 612, 613, 614, 615, 616 \] - atom: 5 pair\_distance: 2.87821408 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 617, 618, 619, 620, 621, 622 \] - atom: 6 pair\_distance: 4.85624352 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 623, 624, 625, 626, 627, 628 \] - atom: 7 pair\_distance: 2.87821408 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 629, 630, 631, 632, 633, 634 \] - atom: 8 pair\_distance: 2.87821408 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 635, 636, 637, 638, 639, 640 \] - atom: 9 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 641, 642, 643, 644, 645, 646 \] - atom: 10 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 647, 648, 649, 650, 651, 652 \] - atom: 11 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 653, 654, 655, 656, 657, 658 \] - atom: 12 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 659, 660, 661, 662, 663, 664 \] - atom: 13 pair\_distance: 11.92720726 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 665, 666, 667, 668, 669, 670 \] - atom: 14 pair\_distance: 12.55218139 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 671, 672, 673, 674, 675, 676 \] - atom: 15 pair\_distance: 12.55218139 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 677, 678, 679, 680, 681, 682 \] - atom: 16 pair\_distance: 12.55218139 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 683, 684, 685, 686, 687, 688 \] - atom: 17 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 689, 690, 691, 692, 693, 694 \] - atom: 18 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 695, 696, 697, 698, 699, 700 \] - atom: 19 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 701, 702, 703, 704, 705, 706 \] - atom: 20 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 707, 708, 709, 710, 711, 712 \] - atom: 21 pair\_distance: 8.65789551 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 713, 714, 715, 716, 717, 718 \] - atom: 22 pair\_distance: 8.65789551 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 719, 720, 721, 722, 723, 724 \] - atom: 23 pair\_distance: 9.50042838 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 725, 726, 727, 728, 729, 730 \] - atom: 24 pair\_distance: 8.65789551 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 731, 732, 733, 734, 735, 736 \] - atom: 25 pair\_distance: 2.51731885 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 737, 738, 739, 740, 741, 742 \] - atom: 26 pair\_distance: 4.65143838 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 743, 744, 745, 746, 747, 748 \] - atom: 27 pair\_distance: 4.65143838 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 749, 750, 751, 752, 753, 754 \] - atom: 28 pair\_distance: 4.65143838 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 755, 756, 757, 758, 759, 760 \] - atom: 29 pair\_distance: 2.37416914 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 761, 762, 763, 764, 765, 766 \] - atom: 30 pair\_distance: 4.57555067 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 767, 768, 769, 770, 771, 772 \] - atom: 31 pair\_distance: 2.37416914 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 773, 774, 775, 776, 777, 778 \] - atom: 32 pair\_distance: 2.37416914 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 779, 780, 781, 782, 783, 784 \] - atom: 33 pair\_distance: 12.85985303 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 785, 786, 787, 788, 789, 790 \] - atom: 34 pair\_distance: 12.85985303 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 791, 792, 793, 794, 795, 796 \] - atom: 35 pair\_distance: 13.44153282 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 797, 798, 799, 800, 801, 802 \] - atom: 36 pair\_distance: 12.85985303 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 803, 804, 805, 806, 807, 808 \] - atom: 37 pair\_distance: 9.40988841 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 809, 810, 811, 812, 813, 814 \] - atom: 38 pair\_distance: 10.19043594 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 815, 816, 817, 818, 819, 820 \] - atom: 39 pair\_distance: 10.19043594 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 821, 822, 823, 824, 825, 826 \] - atom: 40 pair\_distance: 10.19043594 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 827, 828, 829, 830, 831, 832 \] - atom: 41 pair\_distance: 7.95274470 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 833, 834, 835, 836, 837, 838 \] - atom: 42 pair\_distance: 8.86256921 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 839, 840, 841, 842, 843, 844 \] - atom: 43 pair\_distance: 7.95274470 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 845, 846, 847, 848, 849, 850 \] - atom: 44 pair\_distance: 7.95274470 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 851, 852, 853, 854, 855, 856 \] - atom: 45 pair\_distance: 11.10749987 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 857, 858, 859, 860, 861, 862 \] - atom: 46 pair\_distance: 11.10749987 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 863, 864, 865, 866, 867, 868 \] - atom: 47 pair\_distance: 11.77605783 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 869, 870, 871, 872, 873, 874 \] - atom: 48 pair\_distance: 11.10749987 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 875, 876, 877, 878, 879, 880 \] - atom: 49 pair\_distance: 5.58135118 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 881, 882, 883, 884, 885, 886 \] - atom: 50 pair\_distance: 6.81545786 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 887, 888, 889, 890, 891, 892 \] - atom: 51 pair\_distance: 5.58135118 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 893, 894, 895, 896, 897, 898 \] - atom: 52 pair\_distance: 5.58135118 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 899, 900, 901, 902, 903, 904 \] - atom: 53 pair\_distance: 3.31959425 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 905, 906, 907, 908, 909, 910 \] - atom: 54 pair\_distance: 5.13017453 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 911, 912, 913, 914, 915, 916 \] - atom: 55 pair\_distance: 5.13017453 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 917, 918, 919, 920, 921, 922 \] - atom: 56 pair\_distance: 5.13017453 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 923, 924, 925, 926, 927, 928 \] - atom: 57 pair\_distance: 15.18130811 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 929, 930, 931, 932, 933, 934 \] - atom: 58 pair\_distance: 15.67708840 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 935, 936, 937, 938, 939, 940 \] - atom: 59 pair\_distance: 15.67708840 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 941, 942, 943, 944, 945, 946 \] - atom: 60 pair\_distance: 15.67708840 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 947, 948, 949, 950, 951, 952 \] - atom: 61 pair\_distance: 7.18710494 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 953, 954, 955, 956, 957, 958 \] - atom: 62 pair\_distance: 7.18710494 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 959, 960, 961, 962, 963, 964 \] - atom: 63 pair\_distance: 8.18250953 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 965, 966, 967, 968, 969, 970 \] - atom: 64 pair\_distance: 7.18710494 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 971, 972, 973, 974, 975, 976 \] - atom: 65 pair\_distance: 5.52152162 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 977, 978, 979, 980, 981, 982 \] - atom: 66 pair\_distance: 5.52152162 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 983, 984, 985, 986, 987, 988 \] - atom: 67 pair\_distance: 6.76654903 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 989, 990, 991, 992, 993, 994 \] - atom: 68 pair\_distance: 5.52152162 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 995, 996, 997, 998, 999, 1000 \] - atom: 69 pair\_distance: 13.65038879 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1001, 1002, 1003, 1004, 1005, 1006 \] - atom: 70 pair\_distance: 14.19972179 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1007, 1008, 1009, 1010, 1011, 1012 \] - atom: 71 pair\_distance: 13.65038879 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1013, 1014, 1015, 1016, 1017, 1018 \] - atom: 72 pair\_distance: 13.65038879 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1019, 1020, 1021, 1022, 1023, 1024 \] - atom: 73 pair\_distance: 5.04825132 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1025, 1026, 1027, 1028, 1029, 1030 \] - atom: 74 pair\_distance: 5.04825132 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1031, 1032, 1033, 1034, 1035, 1036 \] - atom: 75 pair\_distance: 6.38622159 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1037, 1038, 1039, 1040, 1041, 1042 \] - atom: 76 pair\_distance: 5.04825132 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1043, 1044, 1045, 1046, 1047, 1048 \] - atom: 77 pair\_distance: 3.54333775 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1049, 1050, 1051, 1052, 1053, 1054 \] - atom: 78 pair\_distance: 3.54333775 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1055, 1056, 1057, 1058, 1059, 1060 \] - atom: 79 pair\_distance: 5.27771041 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1061, 1062, 1063, 1064, 1065, 1066 \] - atom: 80 pair\_distance: 3.54333775 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1067, 1068, 1069, 1070, 1071, 1072 \] - atom: 81 pair\_distance: 14.83063647 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1073, 1074, 1075, 1076, 1077, 1078 \] - atom: 82 pair\_distance: 15.33775612 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1079, 1080, 1081, 1082, 1083, 1084 \] - atom: 83 pair\_distance: 14.83063647 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1085, 1086, 1087, 1088, 1089, 1090 \] - atom: 84 pair\_distance: 14.83063647 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1091, 1092, 1093, 1094, 1095, 1096 \] - atom: 85 pair\_distance: 7.74858388 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1097, 1098, 1099, 1100, 1101, 1102 \] - atom: 86 pair\_distance: 8.67983508 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1103, 1104, 1105, 1106, 1107, 1108 \] - atom: 87 pair\_distance: 7.74858388 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1109, 1110, 1111, 1112, 1113, 1114 \] - atom: 88 pair\_distance: 7.74858388 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1115, 1116, 1117, 1118, 1119, 1120 \] - atom: 89 pair\_distance: 5.62770821 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1121, 1122, 1123, 1124, 1125, 1126 \] - atom: 90 pair\_distance: 6.85347244 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1127, 1128, 1129, 1130, 1131, 1132 \] - atom: 91 pair\_distance: 6.85347244 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1133, 1134, 1135, 1136, 1137, 1138 \] - atom: 92 pair\_distance: 6.85347244 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1139, 1140, 1141, 1142, 1143, 1144 \] - atom: 93 pair\_distance: 12.87319415 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1145, 1146, 1147, 1148, 1149, 1150 \] - atom: 94 pair\_distance: 13.45429717 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1151, 1152, 1153, 1154, 1155, 1156 \] - atom: 95 pair\_distance: 13.45429717 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1157, 1158, 1159, 1160, 1161, 1162 \] - atom: 96 pair\_distance: 13.45429717 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1163, 1164, 1165, 1166, 1167, 1168 \] - atom: 1 displacement: \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_id: 3 paired\_with: - atom: 1 pair\_distance: 0.00000000 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1169, 1170 \] - atom: 2 pair\_distance: 3.91139167 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1171, 1172, 1173, 1174 \] - atom: 5 pair\_distance: 2.87821408 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1175, 1176, 1177, 1178 \] - atom: 6 pair\_distance: 4.85624352 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1179, 1180 \] - atom: 9 pair\_distance: 10.39105817 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: \[ 1181, 1182, 1183, 1184 \] - atom: 11 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1185, 1186 \] - atom: 13 pair\_distance: 11.92720726 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1187, 1188 \] - atom: 14 pair\_distance: 12.55218139 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1189, 1190, 1191, 1192 \] - atom: 17 pair\_distance: 10.39105817 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1193, 1194, 1195, 1196 \] - atom: 18 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1197, 1198 \] - atom: 21 pair\_distance: 8.65789551 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1199, 1200, 1201, 1202 \] - atom: 23 pair\_distance: 9.50042838 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1203, 1204 \] - atom: 25 pair\_distance: 2.51731885 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1205, 1206 \] - atom: 26 pair\_distance: 4.65143838 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1207, 1208, 1209, 1210 \] - atom: 29 pair\_distance: 2.37416914 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1211, 1212, 1213, 1214 \] - atom: 30 pair\_distance: 4.57555067 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1215, 1216 \] - atom: 33 pair\_distance: 12.85985303 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: \[ 1217, 1218, 1219, 1220 \] - atom: 35 pair\_distance: 13.44153282 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1221, 1222 \] - atom: 37 pair\_distance: 9.40988841 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1223, 1224 \] - atom: 38 pair\_distance: 10.19043594 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1225, 1226, 1227, 1228 \] - atom: 41 pair\_distance: 7.95274470 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1229, 1230, 1231, 1232 \] - atom: 42 pair\_distance: 8.86256921 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1233, 1234 \] - atom: 45 pair\_distance: 11.10749987 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: \[ 1235, 1236, 1237, 1238 \] - atom: 47 pair\_distance: 11.77605783 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1239, 1240 \] - atom: 49 pair\_distance: 5.58135118 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1241, 1242, 1243, 1244 \] - atom: 50 pair\_distance: 6.81545786 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1245, 1246 \] - atom: 53 pair\_distance: 3.31959425 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1247, 1248 \] - atom: 54 pair\_distance: 5.13017453 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1249, 1250, 1251, 1252 \] - atom: 57 pair\_distance: 15.18130811 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1253, 1254 \] - atom: 58 pair\_distance: 15.67708840 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1255, 1256, 1257, 1258 \] - atom: 61 pair\_distance: 7.18710494 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: \[ 1259, 1260, 1261, 1262 \] - atom: 63 pair\_distance: 8.18250953 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1263, 1264 \] - atom: 65 pair\_distance: 5.52152162 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: \[ 1265, 1266, 1267, 1268 \] - atom: 67 pair\_distance: 6.76654903 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1269, 1270 \] - atom: 69 pair\_distance: 13.65038879 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1271, 1272, 1273, 1274 \] - atom: 70 pair\_distance: 14.19972179 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1275, 1276 \] - atom: 73 pair\_distance: 5.04825132 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: \[ 1277, 1278, 1279, 1280 \] - atom: 75 pair\_distance: 6.38622159 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1281, 1282 \] - atom: 77 pair\_distance: 3.54333775 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1283, 1284, 1285, 1286 \] - atom: 79 pair\_distance: 5.27771041 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1287, 1288 \] - atom: 81 pair\_distance: 14.83063647 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1289, 1290, 1291, 1292 \] - atom: 82 pair\_distance: 15.33775612 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1293, 1294 \] - atom: 85 pair\_distance: 7.74858388 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1295, 1296, 1297, 1298 \] - atom: 86 pair\_distance: 8.67983508 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1299, 1300 \] - atom: 89 pair\_distance: 5.62770821 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1301, 1302 \] - atom: 90 pair\_distance: 6.85347244 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1303, 1304, 1305, 1306 \] - atom: 93 pair\_distance: 12.87319415 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1307, 1308 \] - atom: 94 pair\_distance: 13.45429717 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1309, 1310, 1311, 1312 \] - atom: 1 displacement: \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_id: 4 paired\_with: - atom: 1 pair\_distance: 0.00000000 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1313, 1314 \] - atom: 2 pair\_distance: 3.91139167 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1315, 1316, 1317, 1318 \] - atom: 5 pair\_distance: 2.87821408 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1319, 1320, 1321, 1322 \] - atom: 6 pair\_distance: 4.85624352 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1323, 1324 \] - atom: 9 pair\_distance: 10.39105817 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: 11 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1329, 1330 \] - atom: 13 pair\_distance: 11.92720726 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1331, 1332 \] - atom: 14 pair\_distance: 12.55218139 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1333, 1334, 1335, 1336 \] - atom: 17 pair\_distance: 10.39105817 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1337, 1338, 1339, 1340 \] - atom: 18 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1341, 1342 \] - atom: 21 pair\_distance: 8.65789551 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: 23 pair\_distance: 9.50042838 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1347, 1348 \] - atom: 25 pair\_distance: 2.51731885 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1349, 1350 \] - atom: 26 pair\_distance: 4.65143838 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1351, 1352, 1353, 1354 \] - atom: 29 pair\_distance: 2.37416914 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1355, 1356, 1357, 1358 \] - atom: 30 pair\_distance: 4.57555067 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1359, 1360 \] - atom: 33 pair\_distance: 12.85985303 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1361, 1362, 1363, 1364 \] - atom: 35 pair\_distance: 13.44153282 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1365, 1366 \] - atom: 37 pair\_distance: 9.40988841 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1367, 1368 \] - atom: 38 pair\_distance: 10.19043594 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1369, 1370, 1371, 1372 \] - atom: 41 pair\_distance: 7.95274470 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1373, 1374, 1375, 1376 \] - atom: 42 pair\_distance: 8.86256921 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1377, 1378 \] - atom: 45 pair\_distance: 11.10749987 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: 47 pair\_distance: 11.77605783 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1383, 1384 \] - atom: 49 pair\_distance: 5.58135118 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1385, 1386, 1387, 1388 \] - atom: 50 pair\_distance: 6.81545786 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1389, 1390 \] - atom: 53 pair\_distance: 3.31959425 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1391, 1392 \] - atom: 54 pair\_distance: 5.13017453 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1393, 1394, 1395, 1396 \] - atom: 57 pair\_distance: 15.18130811 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1397, 1398 \] - atom: 58 pair\_distance: 15.67708840 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1399, 1400, 1401, 1402 \] - atom: 61 pair\_distance: 7.18710494 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: \[ 1403, 1404, 1405, 1406 \] - atom: 63 pair\_distance: 8.18250953 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1407, 1408 \] - atom: 65 pair\_distance: 5.52152162 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: 67 pair\_distance: 6.76654903 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1413, 1414 \] - atom: 69 pair\_distance: 13.65038879 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1415, 1416, 1417, 1418 \] - atom: 70 pair\_distance: 14.19972179 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1419, 1420 \] - atom: 73 pair\_distance: 5.04825132 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1421, 1422, 1423, 1424 \] - atom: 75 pair\_distance: 6.38622159 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1425, 1426 \] - atom: 77 pair\_distance: 3.54333775 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: \[ 1427, 1428, 1429, 1430 \] - atom: 79 pair\_distance: 5.27771041 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1431, 1432 \] - atom: 81 pair\_distance: 14.83063647 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1433, 1434, 1435, 1436 \] - atom: 82 pair\_distance: 15.33775612 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1437, 1438 \] - atom: 85 pair\_distance: 7.74858388 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1439, 1440, 1441, 1442 \] - atom: 86 pair\_distance: 8.67983508 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1443, 1444 \] - atom: 89 pair\_distance: 5.62770821 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1445, 1446 \] - atom: 90 pair\_distance: 6.85347244 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1447, 1448, 1449, 1450 \] - atom: 93 pair\_distance: 12.87319415 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 1451, 1452 \] - atom: 94 pair\_distance: 13.45429717 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1453, 1454, 1455, 1456 \] - atom: 25 displacement: \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] displacement\_id: 5 paired\_with: - atom: 1 pair\_distance: 2.51731885 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1457, 1458, 1459, 1460, 1461, 1462 \] - atom: 2 pair\_distance: 4.65143838 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1463, 1464, 1465, 1466, 1467, 1468 \] - atom: 3 pair\_distance: 4.65143838 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1469, 1470, 1471, 1472, 1473, 1474 \] - atom: 4 pair\_distance: 4.65143838 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1475, 1476, 1477, 1478, 1479, 1480 \] - atom: 5 pair\_distance: 2.37416914 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1481, 1482, 1483, 1484, 1485, 1486 \] - atom: 6 pair\_distance: 4.57555067 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1487, 1488, 1489, 1490, 1491, 1492 \] - atom: 7 pair\_distance: 2.37416914 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1493, 1494, 1495, 1496, 1497, 1498 \] - atom: 8 pair\_distance: 2.37416914 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1499, 1500, 1501, 1502, 1503, 1504 \] - atom: 9 pair\_distance: 7.95274470 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1505, 1506, 1507, 1508, 1509, 1510 \] - atom: 10 pair\_distance: 7.95274470 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1511, 1512, 1513, 1514, 1515, 1516 \] - atom: 11 pair\_distance: 8.86256921 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1517, 1518, 1519, 1520, 1521, 1522 \] - atom: 12 pair\_distance: 7.95274470 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1523, 1524, 1525, 1526, 1527, 1528 \] - atom: 13 pair\_distance: 9.40988841 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1529, 1530, 1531, 1532, 1533, 1534 \] - atom: 14 pair\_distance: 10.19043594 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1535, 1536, 1537, 1538, 1539, 1540 \] - atom: 15 pair\_distance: 10.19043594 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1541, 1542, 1543, 1544, 1545, 1546 \] - atom: 16 pair\_distance: 10.19043594 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1547, 1548, 1549, 1550, 1551, 1552 \] - atom: 17 pair\_distance: 12.85985303 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1553, 1554, 1555, 1556, 1557, 1558 \] - atom: 18 pair\_distance: 13.44153282 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1559, 1560, 1561, 1562, 1563, 1564 \] - atom: 19 pair\_distance: 12.85985303 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1565, 1566, 1567, 1568, 1569, 1570 \] - atom: 20 pair\_distance: 12.85985303 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1571, 1572, 1573, 1574, 1575, 1576 \] - atom: 21 pair\_distance: 11.10749987 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1577, 1578, 1579, 1580, 1581, 1582 \] - atom: 22 pair\_distance: 11.10749987 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1583, 1584, 1585, 1586, 1587, 1588 \] - atom: 23 pair\_distance: 11.77605783 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1589, 1590, 1591, 1592, 1593, 1594 \] - atom: 24 pair\_distance: 11.10749987 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1595, 1596, 1597, 1598, 1599, 1600 \] - atom: 25 pair\_distance: 0.00000000 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1601, 1602, 1603, 1604, 1605, 1606 \] - atom: 26 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1607, 1608, 1609, 1610, 1611, 1612 \] - atom: 27 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1613, 1614, 1615, 1616, 1617, 1618 \] - atom: 28 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1619, 1620, 1621, 1622, 1623, 1624 \] - atom: 29 pair\_distance: 3.95765464 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1625, 1626, 1627, 1628, 1629, 1630 \] - atom: 30 pair\_distance: 5.56435217 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1631, 1632, 1633, 1634, 1635, 1636 \] - atom: 31 pair\_distance: 3.95765464 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1637, 1638, 1639, 1640, 1641, 1642 \] - atom: 32 pair\_distance: 3.95765464 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1643, 1644, 1645, 1646, 1647, 1648 \] - atom: 33 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1649, 1650, 1651, 1652, 1653, 1654 \] - atom: 34 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1655, 1656, 1657, 1658, 1659, 1660 \] - atom: 35 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1661, 1662, 1663, 1664, 1665, 1666 \] - atom: 36 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1667, 1668, 1669, 1670, 1671, 1672 \] - atom: 37 pair\_distance: 6.89256956 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1673, 1674, 1675, 1676, 1677, 1678 \] - atom: 38 pair\_distance: 7.92505520 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1679, 1680, 1681, 1682, 1683, 1684 \] - atom: 39 pair\_distance: 7.92505520 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1685, 1686, 1687, 1688, 1689, 1690 \] - atom: 40 pair\_distance: 7.92505520 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1691, 1692, 1693, 1694, 1695, 1696 \] - atom: 41 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1697, 1698, 1699, 1700, 1701, 1702 \] - atom: 42 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1703, 1704, 1705, 1706, 1707, 1708 \] - atom: 43 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1709, 1710, 1711, 1712, 1713, 1714 \] - atom: 44 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1715, 1716, 1717, 1718, 1719, 1720 \] - atom: 45 pair\_distance: 13.58189016 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1721, 1722, 1723, 1724, 1725, 1726 \] - atom: 46 pair\_distance: 13.58189016 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1727, 1728, 1729, 1730, 1731, 1732 \] - atom: 47 pair\_distance: 14.13388570 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1733, 1734, 1735, 1736, 1737, 1738 \] - atom: 48 pair\_distance: 13.58189016 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1739, 1740, 1741, 1742, 1743, 1744 \] - atom: 49 pair\_distance: 3.43381559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1745, 1746, 1747, 1748, 1749, 1750 \] - atom: 50 pair\_distance: 5.20481261 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1751, 1752, 1753, 1754, 1755, 1756 \] - atom: 51 pair\_distance: 3.43381559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1757, 1758, 1759, 1760, 1761, 1762 \] - atom: 52 pair\_distance: 3.43381559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1763, 1764, 1765, 1766, 1767, 1768 \] - atom: 53 pair\_distance: 5.83691309 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1769, 1770, 1771, 1772, 1773, 1774 \] - atom: 54 pair\_distance: 7.02627492 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1775, 1776, 1777, 1778, 1779, 1780 \] - atom: 55 pair\_distance: 7.02627492 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1781, 1782, 1783, 1784, 1785, 1786 \] - atom: 56 pair\_distance: 7.02627492 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1787, 1788, 1789, 1790, 1791, 1792 \] - atom: 57 pair\_distance: 12.72948266 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1793, 1794, 1795, 1796, 1797, 1798 \] - atom: 58 pair\_distance: 13.31685824 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1799, 1800, 1801, 1802, 1803, 1804 \] - atom: 59 pair\_distance: 13.31685824 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1805, 1806, 1807, 1808, 1809, 1810 \] - atom: 60 pair\_distance: 13.31685824 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1811, 1812, 1813, 1814, 1815, 1816 \] - atom: 61 pair\_distance: 4.86204587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1817, 1818, 1819, 1820, 1821, 1822 \] - atom: 62 pair\_distance: 4.86204587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1823, 1824, 1825, 1826, 1827, 1828 \] - atom: 63 pair\_distance: 6.24007010 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1829, 1830, 1831, 1832, 1833, 1834 \] - atom: 64 pair\_distance: 4.86204587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1835, 1836, 1837, 1838, 1839, 1840 \] - atom: 65 pair\_distance: 7.88616798 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1841, 1842, 1843, 1844, 1845, 1846 \] - atom: 66 pair\_distance: 7.88616798 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1847, 1848, 1849, 1850, 1851, 1852 \] - atom: 67 pair\_distance: 8.80287624 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1853, 1854, 1855, 1856, 1857, 1858 \] - atom: 68 pair\_distance: 7.88616798 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1859, 1860, 1861, 1862, 1863, 1864 \] - atom: 69 pair\_distance: 14.62390579 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1865, 1866, 1867, 1868, 1869, 1870 \] - atom: 70 pair\_distance: 15.13795249 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1871, 1872, 1873, 1874, 1875, 1876 \] - atom: 71 pair\_distance: 14.62390579 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1877, 1878, 1879, 1880, 1881, 1882 \] - atom: 72 pair\_distance: 14.62390579 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1883, 1884, 1885, 1886, 1887, 1888 \] - atom: 73 pair\_distance: 3.01502431 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1889, 1890, 1891, 1892, 1893, 1894 \] - atom: 74 pair\_distance: 3.01502431 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1895, 1896, 1897, 1898, 1899, 1900 \] - atom: 75 pair\_distance: 4.93855813 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1901, 1902, 1903, 1904, 1905, 1906 \] - atom: 76 pair\_distance: 3.01502431 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1907, 1908, 1909, 1910, 1911, 1912 \] - atom: 77 pair\_distance: 5.71307003 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1913, 1914, 1915, 1916, 1917, 1918 \] - atom: 78 pair\_distance: 5.71307003 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1919, 1920, 1921, 1922, 1923, 1924 \] - atom: 79 pair\_distance: 6.92373844 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1925, 1926, 1927, 1928, 1929, 1930 \] - atom: 80 pair\_distance: 5.71307003 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1931, 1932, 1933, 1934, 1935, 1936 \] - atom: 81 pair\_distance: 12.34862229 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1937, 1938, 1939, 1940, 1941, 1942 \] - atom: 82 pair\_distance: 12.95327979 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1943, 1944, 1945, 1946, 1947, 1948 \] - atom: 83 pair\_distance: 12.34862229 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1949, 1950, 1951, 1952, 1953, 1954 \] - atom: 84 pair\_distance: 12.34862229 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1955, 1956, 1957, 1958, 1959, 1960 \] - atom: 85 pair\_distance: 5.39069969 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1961, 1962, 1963, 1964, 1965, 1966 \] - atom: 86 pair\_distance: 6.66022732 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1967, 1968, 1969, 1970, 1971, 1972 \] - atom: 87 pair\_distance: 5.39069969 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1973, 1974, 1975, 1976, 1977, 1978 \] - atom: 88 pair\_distance: 5.39069969 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1979, 1980, 1981, 1982, 1983, 1984 \] - atom: 89 pair\_distance: 8.14502705 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1985, 1986, 1987, 1988, 1989, 1990 \] - atom: 90 pair\_distance: 9.03551053 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1991, 1992, 1993, 1994, 1995, 1996 \] - atom: 91 pair\_distance: 9.03551053 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 1997, 1998, 1999, 2000, 2001, 2002 \] - atom: 92 pair\_distance: 9.03551053 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2003, 2004, 2005, 2006, 2007, 2008 \] - atom: 93 pair\_distance: 15.03759662 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2009, 2010, 2011, 2012, 2013, 2014 \] - atom: 94 pair\_distance: 15.53796308 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2015, 2016, 2017, 2018, 2019, 2020 \] - atom: 95 pair\_distance: 15.53796308 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2021, 2022, 2023, 2024, 2025, 2026 \] - atom: 96 pair\_distance: 15.53796308 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2027, 2028, 2029, 2030, 2031, 2032 \] - atom: 25 displacement: \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] displacement\_id: 6 paired\_with: - atom: 1 pair\_distance: 2.51731885 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2033, 2034, 2035, 2036, 2037, 2038 \] - atom: 2 pair\_distance: 4.65143838 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2039, 2040, 2041, 2042, 2043, 2044 \] - atom: 3 pair\_distance: 4.65143838 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2045, 2046, 2047, 2048, 2049, 2050 \] - atom: 4 pair\_distance: 4.65143838 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2051, 2052, 2053, 2054, 2055, 2056 \] - atom: 5 pair\_distance: 2.37416914 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2057, 2058, 2059, 2060, 2061, 2062 \] - atom: 6 pair\_distance: 4.57555067 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2063, 2064, 2065, 2066, 2067, 2068 \] - atom: 7 pair\_distance: 2.37416914 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2069, 2070, 2071, 2072, 2073, 2074 \] - atom: 8 pair\_distance: 2.37416914 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2075, 2076, 2077, 2078, 2079, 2080 \] - atom: 9 pair\_distance: 7.95274470 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2081, 2082, 2083, 2084, 2085, 2086 \] - atom: 10 pair\_distance: 7.95274470 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2087, 2088, 2089, 2090, 2091, 2092 \] - atom: 11 pair\_distance: 8.86256921 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2093, 2094, 2095, 2096, 2097, 2098 \] - atom: 12 pair\_distance: 7.95274470 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2099, 2100, 2101, 2102, 2103, 2104 \] - atom: 13 pair\_distance: 9.40988841 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2105, 2106, 2107, 2108, 2109, 2110 \] - atom: 14 pair\_distance: 10.19043594 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2111, 2112, 2113, 2114, 2115, 2116 \] - atom: 15 pair\_distance: 10.19043594 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2117, 2118, 2119, 2120, 2121, 2122 \] - atom: 16 pair\_distance: 10.19043594 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2123, 2124, 2125, 2126, 2127, 2128 \] - atom: 17 pair\_distance: 12.85985303 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2129, 2130, 2131, 2132, 2133, 2134 \] - atom: 18 pair\_distance: 13.44153282 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2135, 2136, 2137, 2138, 2139, 2140 \] - atom: 19 pair\_distance: 12.85985303 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2141, 2142, 2143, 2144, 2145, 2146 \] - atom: 20 pair\_distance: 12.85985303 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2147, 2148, 2149, 2150, 2151, 2152 \] - atom: 21 pair\_distance: 11.10749987 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2153, 2154, 2155, 2156, 2157, 2158 \] - atom: 22 pair\_distance: 11.10749987 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2159, 2160, 2161, 2162, 2163, 2164 \] - atom: 23 pair\_distance: 11.77605783 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2165, 2166, 2167, 2168, 2169, 2170 \] - atom: 24 pair\_distance: 11.10749987 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2171, 2172, 2173, 2174, 2175, 2176 \] - atom: 25 pair\_distance: 0.00000000 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2177, 2178, 2179, 2180, 2181, 2182 \] - atom: 26 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2183, 2184, 2185, 2186, 2187, 2188 \] - atom: 27 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2189, 2190, 2191, 2192, 2193, 2194 \] - atom: 28 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2195, 2196, 2197, 2198, 2199, 2200 \] - atom: 29 pair\_distance: 3.95765464 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2201, 2202, 2203, 2204, 2205, 2206 \] - atom: 30 pair\_distance: 5.56435217 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2207, 2208, 2209, 2210, 2211, 2212 \] - atom: 31 pair\_distance: 3.95765464 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2213, 2214, 2215, 2216, 2217, 2218 \] - atom: 32 pair\_distance: 3.95765464 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2219, 2220, 2221, 2222, 2223, 2224 \] - atom: 33 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2225, 2226, 2227, 2228, 2229, 2230 \] - atom: 34 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2231, 2232, 2233, 2234, 2235, 2236 \] - atom: 35 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2237, 2238, 2239, 2240, 2241, 2242 \] - atom: 36 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2243, 2244, 2245, 2246, 2247, 2248 \] - atom: 37 pair\_distance: 6.89256956 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2249, 2250, 2251, 2252, 2253, 2254 \] - atom: 38 pair\_distance: 7.92505520 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2255, 2256, 2257, 2258, 2259, 2260 \] - atom: 39 pair\_distance: 7.92505520 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2261, 2262, 2263, 2264, 2265, 2266 \] - atom: 40 pair\_distance: 7.92505520 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2267, 2268, 2269, 2270, 2271, 2272 \] - atom: 41 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2273, 2274, 2275, 2276, 2277, 2278 \] - atom: 42 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2279, 2280, 2281, 2282, 2283, 2284 \] - atom: 43 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2285, 2286, 2287, 2288, 2289, 2290 \] - atom: 44 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2291, 2292, 2293, 2294, 2295, 2296 \] - atom: 45 pair\_distance: 13.58189016 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2297, 2298, 2299, 2300, 2301, 2302 \] - atom: 46 pair\_distance: 13.58189016 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2303, 2304, 2305, 2306, 2307, 2308 \] - atom: 47 pair\_distance: 14.13388570 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2309, 2310, 2311, 2312, 2313, 2314 \] - atom: 48 pair\_distance: 13.58189016 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2315, 2316, 2317, 2318, 2319, 2320 \] - atom: 49 pair\_distance: 3.43381559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2321, 2322, 2323, 2324, 2325, 2326 \] - atom: 50 pair\_distance: 5.20481261 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2327, 2328, 2329, 2330, 2331, 2332 \] - atom: 51 pair\_distance: 3.43381559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2333, 2334, 2335, 2336, 2337, 2338 \] - atom: 52 pair\_distance: 3.43381559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2339, 2340, 2341, 2342, 2343, 2344 \] - atom: 53 pair\_distance: 5.83691309 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2345, 2346, 2347, 2348, 2349, 2350 \] - atom: 54 pair\_distance: 7.02627492 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2351, 2352, 2353, 2354, 2355, 2356 \] - atom: 55 pair\_distance: 7.02627492 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2357, 2358, 2359, 2360, 2361, 2362 \] - atom: 56 pair\_distance: 7.02627492 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2363, 2364, 2365, 2366, 2367, 2368 \] - atom: 57 pair\_distance: 12.72948266 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2369, 2370, 2371, 2372, 2373, 2374 \] - atom: 58 pair\_distance: 13.31685824 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2375, 2376, 2377, 2378, 2379, 2380 \] - atom: 59 pair\_distance: 13.31685824 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2381, 2382, 2383, 2384, 2385, 2386 \] - atom: 60 pair\_distance: 13.31685824 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2387, 2388, 2389, 2390, 2391, 2392 \] - atom: 61 pair\_distance: 4.86204587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2393, 2394, 2395, 2396, 2397, 2398 \] - atom: 62 pair\_distance: 4.86204587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2399, 2400, 2401, 2402, 2403, 2404 \] - atom: 63 pair\_distance: 6.24007010 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2405, 2406, 2407, 2408, 2409, 2410 \] - atom: 64 pair\_distance: 4.86204587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2411, 2412, 2413, 2414, 2415, 2416 \] - atom: 65 pair\_distance: 7.88616798 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2417, 2418, 2419, 2420, 2421, 2422 \] - atom: 66 pair\_distance: 7.88616798 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2423, 2424, 2425, 2426, 2427, 2428 \] - atom: 67 pair\_distance: 8.80287624 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2429, 2430, 2431, 2432, 2433, 2434 \] - atom: 68 pair\_distance: 7.88616798 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2435, 2436, 2437, 2438, 2439, 2440 \] - atom: 69 pair\_distance: 14.62390579 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2441, 2442, 2443, 2444, 2445, 2446 \] - atom: 70 pair\_distance: 15.13795249 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2447, 2448, 2449, 2450, 2451, 2452 \] - atom: 71 pair\_distance: 14.62390579 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2453, 2454, 2455, 2456, 2457, 2458 \] - atom: 72 pair\_distance: 14.62390579 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2459, 2460, 2461, 2462, 2463, 2464 \] - atom: 73 pair\_distance: 3.01502431 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2465, 2466, 2467, 2468, 2469, 2470 \] - atom: 74 pair\_distance: 3.01502431 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2471, 2472, 2473, 2474, 2475, 2476 \] - atom: 75 pair\_distance: 4.93855813 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2477, 2478, 2479, 2480, 2481, 2482 \] - atom: 76 pair\_distance: 3.01502431 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2483, 2484, 2485, 2486, 2487, 2488 \] - atom: 77 pair\_distance: 5.71307003 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2489, 2490, 2491, 2492, 2493, 2494 \] - atom: 78 pair\_distance: 5.71307003 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2495, 2496, 2497, 2498, 2499, 2500 \] - atom: 79 pair\_distance: 6.92373844 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2501, 2502, 2503, 2504, 2505, 2506 \] - atom: 80 pair\_distance: 5.71307003 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2507, 2508, 2509, 2510, 2511, 2512 \] - atom: 81 pair\_distance: 12.34862229 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2513, 2514, 2515, 2516, 2517, 2518 \] - atom: 82 pair\_distance: 12.95327979 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2519, 2520, 2521, 2522, 2523, 2524 \] - atom: 83 pair\_distance: 12.34862229 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2525, 2526, 2527, 2528, 2529, 2530 \] - atom: 84 pair\_distance: 12.34862229 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2531, 2532, 2533, 2534, 2535, 2536 \] - atom: 85 pair\_distance: 5.39069969 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2537, 2538, 2539, 2540, 2541, 2542 \] - atom: 86 pair\_distance: 6.66022732 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2543, 2544, 2545, 2546, 2547, 2548 \] - atom: 87 pair\_distance: 5.39069969 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2549, 2550, 2551, 2552, 2553, 2554 \] - atom: 88 pair\_distance: 5.39069969 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2555, 2556, 2557, 2558, 2559, 2560 \] - atom: 89 pair\_distance: 8.14502705 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2561, 2562, 2563, 2564, 2565, 2566 \] - atom: 90 pair\_distance: 9.03551053 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2567, 2568, 2569, 2570, 2571, 2572 \] - atom: 91 pair\_distance: 9.03551053 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2573, 2574, 2575, 2576, 2577, 2578 \] - atom: 92 pair\_distance: 9.03551053 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2579, 2580, 2581, 2582, 2583, 2584 \] - atom: 93 pair\_distance: 15.03759662 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2585, 2586, 2587, 2588, 2589, 2590 \] - atom: 94 pair\_distance: 15.53796308 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2591, 2592, 2593, 2594, 2595, 2596 \] - atom: 95 pair\_distance: 15.53796308 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2597, 2598, 2599, 2600, 2601, 2602 \] - atom: 96 pair\_distance: 15.53796308 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2603, 2604, 2605, 2606, 2607, 2608 \] - atom: 25 displacement: \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_id: 7 paired\_with: - atom: 1 pair\_distance: 2.51731885 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2609, 2610 \] - atom: 2 pair\_distance: 4.65143838 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2611, 2612, 2613, 2614 \] - atom: 5 pair\_distance: 2.37416914 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2615, 2616, 2617, 2618 \] - atom: 6 pair\_distance: 4.57555067 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2619, 2620 \] - atom: 9 pair\_distance: 7.95274470 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: \[ 2621, 2622, 2623, 2624 \] - atom: 11 pair\_distance: 8.86256921 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2625, 2626 \] - atom: 13 pair\_distance: 9.40988841 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2627, 2628 \] - atom: 14 pair\_distance: 10.19043594 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2629, 2630, 2631, 2632 \] - atom: 17 pair\_distance: 12.85985303 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2633, 2634, 2635, 2636 \] - atom: 18 pair\_distance: 13.44153282 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2637, 2638 \] - atom: 21 pair\_distance: 11.10749987 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: \[ 2639, 2640, 2641, 2642 \] - atom: 23 pair\_distance: 11.77605783 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2643, 2644 \] - atom: 25 pair\_distance: 0.00000000 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2645, 2646 \] - atom: 26 pair\_distance: 3.91139167 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2647, 2648, 2649, 2650 \] - atom: 29 pair\_distance: 3.95765464 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2651, 2652, 2653, 2654 \] - atom: 30 pair\_distance: 5.56435217 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2655, 2656 \] - atom: 33 pair\_distance: 10.39105817 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: \[ 2657, 2658, 2659, 2660 \] - atom: 35 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2661, 2662 \] - atom: 37 pair\_distance: 6.89256956 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2663, 2664 \] - atom: 38 pair\_distance: 7.92505520 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2665, 2666, 2667, 2668 \] - atom: 41 pair\_distance: 10.39105817 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2669, 2670, 2671, 2672 \] - atom: 42 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2673, 2674 \] - atom: 45 pair\_distance: 13.58189016 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: \[ 2675, 2676, 2677, 2678 \] - atom: 47 pair\_distance: 14.13388570 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2679, 2680 \] - atom: 49 pair\_distance: 3.43381559 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2681, 2682, 2683, 2684 \] - atom: 50 pair\_distance: 5.20481261 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2685, 2686 \] - atom: 53 pair\_distance: 5.83691309 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2687, 2688 \] - atom: 54 pair\_distance: 7.02627492 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2689, 2690, 2691, 2692 \] - atom: 57 pair\_distance: 12.72948266 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2693, 2694 \] - atom: 58 pair\_distance: 13.31685824 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2695, 2696, 2697, 2698 \] - atom: 61 pair\_distance: 4.86204587 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: \[ 2699, 2700, 2701, 2702 \] - atom: 63 pair\_distance: 6.24007010 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2703, 2704 \] - atom: 65 pair\_distance: 7.88616798 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: \[ 2705, 2706, 2707, 2708 \] - atom: 67 pair\_distance: 8.80287624 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2709, 2710 \] - atom: 69 pair\_distance: 14.62390579 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2711, 2712, 2713, 2714 \] - atom: 70 pair\_distance: 15.13795249 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2715, 2716 \] - atom: 73 pair\_distance: 3.01502431 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: \[ 2717, 2718, 2719, 2720 \] - atom: 75 pair\_distance: 4.93855813 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2721, 2722 \] - atom: 77 pair\_distance: 5.71307003 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: \[ 2723, 2724, 2725, 2726 \] - atom: 79 pair\_distance: 6.92373844 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2727, 2728 \] - atom: 81 pair\_distance: 12.34862229 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2729, 2730, 2731, 2732 \] - atom: 82 pair\_distance: 12.95327979 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2733, 2734 \] - atom: 85 pair\_distance: 5.39069969 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2735, 2736, 2737, 2738 \] - atom: 86 pair\_distance: 6.66022732 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2739, 2740 \] - atom: 89 pair\_distance: 8.14502705 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2741, 2742 \] - atom: 90 pair\_distance: 9.03551053 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2743, 2744, 2745, 2746 \] - atom: 93 pair\_distance: 15.03759662 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2747, 2748 \] - atom: 94 pair\_distance: 15.53796308 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2749, 2750, 2751, 2752 \] - atom: 25 displacement: \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_id: 8 paired\_with: - atom: 1 pair\_distance: 2.51731885 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2753, 2754 \] - atom: 2 pair\_distance: 4.65143838 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2755, 2756, 2757, 2758 \] - atom: 5 pair\_distance: 2.37416914 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2759, 2760, 2761, 2762 \] - atom: 6 pair\_distance: 4.57555067 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2763, 2764 \] - atom: 9 pair\_distance: 7.95274470 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: \[ 2765, 2766, 2767, 2768 \] - atom: 11 pair\_distance: 8.86256921 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2769, 2770 \] - atom: 13 pair\_distance: 9.40988841 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2771, 2772 \] - atom: 14 pair\_distance: 10.19043594 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2773, 2774, 2775, 2776 \] - atom: 17 pair\_distance: 12.85985303 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2777, 2778, 2779, 2780 \] - atom: 18 pair\_distance: 13.44153282 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2781, 2782 \] - atom: 21 pair\_distance: 11.10749987 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: \[ 2783, 2784, 2785, 2786 \] - atom: 23 pair\_distance: 11.77605783 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2787, 2788 \] - atom: 25 pair\_distance: 0.00000000 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2789, 2790 \] - atom: 26 pair\_distance: 3.91139167 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2791, 2792, 2793, 2794 \] - atom: 29 pair\_distance: 3.95765464 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2795, 2796, 2797, 2798 \] - atom: 30 pair\_distance: 5.56435217 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2799, 2800 \] - atom: 33 pair\_distance: 10.39105817 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: \[ 2801, 2802, 2803, 2804 \] - atom: 35 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2805, 2806 \] - atom: 37 pair\_distance: 6.89256956 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2807, 2808 \] - atom: 38 pair\_distance: 7.92505520 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2809, 2810, 2811, 2812 \] - atom: 41 pair\_distance: 10.39105817 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2813, 2814, 2815, 2816 \] - atom: 42 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2817, 2818 \] - atom: 45 pair\_distance: 13.58189016 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: \[ 2819, 2820, 2821, 2822 \] - atom: 47 pair\_distance: 14.13388570 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2823, 2824 \] - atom: 49 pair\_distance: 3.43381559 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2825, 2826, 2827, 2828 \] - atom: 50 pair\_distance: 5.20481261 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2829, 2830 \] - atom: 53 pair\_distance: 5.83691309 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2831, 2832 \] - atom: 54 pair\_distance: 7.02627492 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2833, 2834, 2835, 2836 \] - atom: 57 pair\_distance: 12.72948266 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2837, 2838 \] - atom: 58 pair\_distance: 13.31685824 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2839, 2840, 2841, 2842 \] - atom: 61 pair\_distance: 4.86204587 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: \[ 2843, 2844, 2845, 2846 \] - atom: 63 pair\_distance: 6.24007010 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2847, 2848 \] - atom: 65 pair\_distance: 7.88616798 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: \[ 2849, 2850, 2851, 2852 \] - atom: 67 pair\_distance: 8.80287624 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2853, 2854 \] - atom: 69 pair\_distance: 14.62390579 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2855, 2856, 2857, 2858 \] - atom: 70 pair\_distance: 15.13795249 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2859, 2860 \] - atom: 73 pair\_distance: 3.01502431 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: \[ 2861, 2862, 2863, 2864 \] - atom: 75 pair\_distance: 4.93855813 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2865, 2866 \] - atom: 77 pair\_distance: 5.71307003 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: \[ 2867, 2868, 2869, 2870 \] - atom: 79 pair\_distance: 6.92373844 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2871, 2872 \] - atom: 81 pair\_distance: 12.34862229 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2873, 2874, 2875, 2876 \] - atom: 82 pair\_distance: 12.95327979 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2877, 2878 \] - atom: 85 pair\_distance: 5.39069969 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2879, 2880, 2881, 2882 \] - atom: 86 pair\_distance: 6.66022732 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2883, 2884 \] - atom: 89 pair\_distance: 8.14502705 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2885, 2886 \] - atom: 90 pair\_distance: 9.03551053 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2887, 2888, 2889, 2890 \] - atom: 93 pair\_distance: 15.03759662 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 2891, 2892 \] - atom: 94 pair\_distance: 15.53796308 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2893, 2894, 2895, 2896 \] - atom: 49 displacement: \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] displacement\_id: 9 paired\_with: - atom: 1 pair\_distance: 5.58135118 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2897, 2898, 2899, 2900, 2901, 2902 \] - atom: 2 pair\_distance: 6.81545786 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2903, 2904, 2905, 2906, 2907, 2908 \] - atom: 3 pair\_distance: 5.58135118 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2909, 2910, 2911, 2912, 2913, 2914 \] - atom: 4 pair\_distance: 5.58135118 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2915, 2916, 2917, 2918, 2919, 2920 \] - atom: 5 pair\_distance: 3.31959425 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2921, 2922, 2923, 2924, 2925, 2926 \] - atom: 6 pair\_distance: 5.13017453 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2927, 2928, 2929, 2930, 2931, 2932 \] - atom: 7 pair\_distance: 5.13017453 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2933, 2934, 2935, 2936, 2937, 2938 \] - atom: 8 pair\_distance: 5.13017453 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2939, 2940, 2941, 2942, 2943, 2944 \] - atom: 9 pair\_distance: 5.52152162 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2945, 2946, 2947, 2948, 2949, 2950 \] - atom: 10 pair\_distance: 5.52152162 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2951, 2952, 2953, 2954, 2955, 2956 \] - atom: 11 pair\_distance: 5.52152162 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2957, 2958, 2959, 2960, 2961, 2962 \] - atom: 12 pair\_distance: 6.76654903 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2963, 2964, 2965, 2966, 2967, 2968 \] - atom: 13 pair\_distance: 7.18710494 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2969, 2970, 2971, 2972, 2973, 2974 \] - atom: 14 pair\_distance: 8.18250953 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2975, 2976, 2977, 2978, 2979, 2980 \] - atom: 15 pair\_distance: 7.18710494 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2981, 2982, 2983, 2984, 2985, 2986 \] - atom: 16 pair\_distance: 7.18710494 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2987, 2988, 2989, 2990, 2991, 2992 \] - atom: 17 pair\_distance: 15.18130811 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2993, 2994, 2995, 2996, 2997, 2998 \] - atom: 18 pair\_distance: 15.67708840 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 2999, 3000, 3001, 3002, 3003, 3004 \] - atom: 19 pair\_distance: 15.67708840 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3005, 3006, 3007, 3008, 3009, 3010 \] - atom: 20 pair\_distance: 15.67708840 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3011, 3012, 3013, 3014, 3015, 3016 \] - atom: 21 pair\_distance: 13.65038879 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3017, 3018, 3019, 3020, 3021, 3022 \] - atom: 22 pair\_distance: 13.65038879 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3023, 3024, 3025, 3026, 3027, 3028 \] - atom: 23 pair\_distance: 13.65038879 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3029, 3030, 3031, 3032, 3033, 3034 \] - atom: 24 pair\_distance: 14.19972179 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3035, 3036, 3037, 3038, 3039, 3040 \] - atom: 25 pair\_distance: 3.43381559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3041, 3042, 3043, 3044, 3045, 3046 \] - atom: 26 pair\_distance: 5.20481261 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3047, 3048, 3049, 3050, 3051, 3052 \] - atom: 27 pair\_distance: 3.43381559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3053, 3054, 3055, 3056, 3057, 3058 \] - atom: 28 pair\_distance: 3.43381559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3059, 3060, 3061, 3062, 3063, 3064 \] - atom: 29 pair\_distance: 5.83691309 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3065, 3066, 3067, 3068, 3069, 3070 \] - atom: 30 pair\_distance: 7.02627492 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3071, 3072, 3073, 3074, 3075, 3076 \] - atom: 31 pair\_distance: 7.02627492 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3077, 3078, 3079, 3080, 3081, 3082 \] - atom: 32 pair\_distance: 7.02627492 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3083, 3084, 3085, 3086, 3087, 3088 \] - atom: 33 pair\_distance: 7.88616798 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3089, 3090, 3091, 3092, 3093, 3094 \] - atom: 34 pair\_distance: 7.88616798 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3095, 3096, 3097, 3098, 3099, 3100 \] - atom: 35 pair\_distance: 7.88616798 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3101, 3102, 3103, 3104, 3105, 3106 \] - atom: 36 pair\_distance: 8.80287624 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3107, 3108, 3109, 3110, 3111, 3112 \] - atom: 37 pair\_distance: 4.86204587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3113, 3114, 3115, 3116, 3117, 3118 \] - atom: 38 pair\_distance: 6.24007010 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3119, 3120, 3121, 3122, 3123, 3124 \] - atom: 39 pair\_distance: 4.86204587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3125, 3126, 3127, 3128, 3129, 3130 \] - atom: 40 pair\_distance: 4.86204587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3131, 3132, 3133, 3134, 3135, 3136 \] - atom: 41 pair\_distance: 12.72948266 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3137, 3138, 3139, 3140, 3141, 3142 \] - atom: 42 pair\_distance: 13.31685824 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3143, 3144, 3145, 3146, 3147, 3148 \] - atom: 43 pair\_distance: 13.31685824 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3149, 3150, 3151, 3152, 3153, 3154 \] - atom: 44 pair\_distance: 13.31685824 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3155, 3156, 3157, 3158, 3159, 3160 \] - atom: 45 pair\_distance: 14.62390579 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3161, 3162, 3163, 3164, 3165, 3166 \] - atom: 46 pair\_distance: 14.62390579 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3167, 3168, 3169, 3170, 3171, 3172 \] - atom: 47 pair\_distance: 14.62390579 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3173, 3174, 3175, 3176, 3177, 3178 \] - atom: 48 pair\_distance: 15.13795249 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3179, 3180, 3181, 3182, 3183, 3184 \] - atom: 49 pair\_distance: 0.00000000 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3185, 3186, 3187, 3188, 3189, 3190 \] - atom: 50 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3191, 3192, 3193, 3194, 3195, 3196 \] - atom: 51 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3197, 3198, 3199, 3200, 3201, 3202 \] - atom: 52 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3203, 3204, 3205, 3206, 3207, 3208 \] - atom: 53 pair\_distance: 8.72113855 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3209, 3210, 3211, 3212, 3213, 3214 \] - atom: 54 pair\_distance: 9.55809826 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3215, 3216, 3217, 3218, 3219, 3220 \] - atom: 55 pair\_distance: 8.72113855 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3221, 3222, 3223, 3224, 3225, 3226 \] - atom: 56 pair\_distance: 8.72113855 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3227, 3228, 3229, 3230, 3231, 3232 \] - atom: 57 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3233, 3234, 3235, 3236, 3237, 3238 \] - atom: 58 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3239, 3240, 3241, 3242, 3243, 3244 \] - atom: 59 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3245, 3246, 3247, 3248, 3249, 3250 \] - atom: 60 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3251, 3252, 3253, 3254, 3255, 3256 \] - atom: 61 pair\_distance: 2.83807316 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3257, 3258, 3259, 3260, 3261, 3262 \] - atom: 62 pair\_distance: 2.83807316 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3263, 3264, 3265, 3266, 3267, 3268 \] - atom: 63 pair\_distance: 2.83807316 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3269, 3270, 3271, 3272, 3273, 3274 \] - atom: 64 pair\_distance: 4.83256082 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3275, 3276, 3277, 3278, 3279, 3280 \] - atom: 65 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3281, 3282, 3283, 3284, 3285, 3286 \] - atom: 66 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3287, 3288, 3289, 3290, 3291, 3292 \] - atom: 67 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3293, 3294, 3295, 3296, 3297, 3298 \] - atom: 68 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3299, 3300, 3301, 3302, 3303, 3304 \] - atom: 69 pair\_distance: 11.86171386 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3305, 3306, 3307, 3308, 3309, 3310 \] - atom: 70 pair\_distance: 12.48996560 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3311, 3312, 3313, 3314, 3315, 3316 \] - atom: 71 pair\_distance: 12.48996560 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3317, 3318, 3319, 3320, 3321, 3322 \] - atom: 72 pair\_distance: 12.48996560 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3323, 3324, 3325, 3326, 3327, 3328 \] - atom: 73 pair\_distance: 2.33381754 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3329, 3330, 3331, 3332, 3333, 3334 \] - atom: 74 pair\_distance: 2.33381754 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3335, 3336, 3337, 3338, 3339, 3340 \] - atom: 75 pair\_distance: 2.33381754 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3341, 3342, 3343, 3344, 3345, 3346 \] - atom: 76 pair\_distance: 4.55474358 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3347, 3348, 3349, 3350, 3351, 3352 \] - atom: 77 pair\_distance: 8.15355445 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3353, 3354, 3355, 3356, 3357, 3358 \] - atom: 78 pair\_distance: 8.15355445 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3359, 3360, 3361, 3362, 3363, 3364 \] - atom: 79 pair\_distance: 8.15355445 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3365, 3366, 3367, 3368, 3369, 3370 \] - atom: 80 pair\_distance: 9.04319827 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3371, 3372, 3373, 3374, 3375, 3376 \] - atom: 81 pair\_distance: 9.55359990 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3377, 3378, 3379, 3380, 3381, 3382 \] - atom: 82 pair\_distance: 10.32328707 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3383, 3384, 3385, 3386, 3387, 3388 \] - atom: 83 pair\_distance: 10.32328707 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3389, 3390, 3391, 3392, 3393, 3394 \] - atom: 84 pair\_distance: 10.32328707 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3395, 3396, 3397, 3398, 3399, 3400 \] - atom: 85 pair\_distance: 2.30811396 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3401, 3402, 3403, 3404, 3405, 3406 \] - atom: 86 pair\_distance: 4.54162689 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3407, 3408, 3409, 3410, 3411, 3412 \] - atom: 87 pair\_distance: 4.54162689 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3413, 3414, 3415, 3416, 3417, 3418 \] - atom: 88 pair\_distance: 4.54162689 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3419, 3420, 3421, 3422, 3423, 3424 \] - atom: 89 pair\_distance: 10.96682873 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3425, 3426, 3427, 3428, 3429, 3430 \] - atom: 90 pair\_distance: 11.64346672 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3431, 3432, 3433, 3434, 3435, 3436 \] - atom: 91 pair\_distance: 10.96682873 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3437, 3438, 3439, 3440, 3441, 3442 \] - atom: 92 pair\_distance: 10.96682873 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3443, 3444, 3445, 3446, 3447, 3448 \] - atom: 93 pair\_distance: 12.65395233 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3449, 3450, 3451, 3452, 3453, 3454 \] - atom: 94 pair\_distance: 13.24467797 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3455, 3456, 3457, 3458, 3459, 3460 \] - atom: 95 pair\_distance: 12.65395233 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3461, 3462, 3463, 3464, 3465, 3466 \] - atom: 96 pair\_distance: 12.65395233 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3467, 3468, 3469, 3470, 3471, 3472 \] - atom: 49 displacement: \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] displacement\_id: 10 paired\_with: - atom: 1 pair\_distance: 5.58135118 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3473, 3474, 3475, 3476, 3477, 3478 \] - atom: 2 pair\_distance: 6.81545786 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3479, 3480, 3481, 3482, 3483, 3484 \] - atom: 3 pair\_distance: 5.58135118 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3485, 3486, 3487, 3488, 3489, 3490 \] - atom: 4 pair\_distance: 5.58135118 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3491, 3492, 3493, 3494, 3495, 3496 \] - atom: 5 pair\_distance: 3.31959425 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3497, 3498, 3499, 3500, 3501, 3502 \] - atom: 6 pair\_distance: 5.13017453 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3503, 3504, 3505, 3506, 3507, 3508 \] - atom: 7 pair\_distance: 5.13017453 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3509, 3510, 3511, 3512, 3513, 3514 \] - atom: 8 pair\_distance: 5.13017453 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3515, 3516, 3517, 3518, 3519, 3520 \] - atom: 9 pair\_distance: 5.52152162 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3521, 3522, 3523, 3524, 3525, 3526 \] - atom: 10 pair\_distance: 5.52152162 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3527, 3528, 3529, 3530, 3531, 3532 \] - atom: 11 pair\_distance: 5.52152162 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3533, 3534, 3535, 3536, 3537, 3538 \] - atom: 12 pair\_distance: 6.76654903 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3539, 3540, 3541, 3542, 3543, 3544 \] - atom: 13 pair\_distance: 7.18710494 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3545, 3546, 3547, 3548, 3549, 3550 \] - atom: 14 pair\_distance: 8.18250953 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3551, 3552, 3553, 3554, 3555, 3556 \] - atom: 15 pair\_distance: 7.18710494 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3557, 3558, 3559, 3560, 3561, 3562 \] - atom: 16 pair\_distance: 7.18710494 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3563, 3564, 3565, 3566, 3567, 3568 \] - atom: 17 pair\_distance: 15.18130811 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3569, 3570, 3571, 3572, 3573, 3574 \] - atom: 18 pair\_distance: 15.67708840 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3575, 3576, 3577, 3578, 3579, 3580 \] - atom: 19 pair\_distance: 15.67708840 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3581, 3582, 3583, 3584, 3585, 3586 \] - atom: 20 pair\_distance: 15.67708840 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3587, 3588, 3589, 3590, 3591, 3592 \] - atom: 21 pair\_distance: 13.65038879 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3593, 3594, 3595, 3596, 3597, 3598 \] - atom: 22 pair\_distance: 13.65038879 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3599, 3600, 3601, 3602, 3603, 3604 \] - atom: 23 pair\_distance: 13.65038879 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3605, 3606, 3607, 3608, 3609, 3610 \] - atom: 24 pair\_distance: 14.19972179 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3611, 3612, 3613, 3614, 3615, 3616 \] - atom: 25 pair\_distance: 3.43381559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3617, 3618, 3619, 3620, 3621, 3622 \] - atom: 26 pair\_distance: 5.20481261 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3623, 3624, 3625, 3626, 3627, 3628 \] - atom: 27 pair\_distance: 3.43381559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3629, 3630, 3631, 3632, 3633, 3634 \] - atom: 28 pair\_distance: 3.43381559 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3635, 3636, 3637, 3638, 3639, 3640 \] - atom: 29 pair\_distance: 5.83691309 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3641, 3642, 3643, 3644, 3645, 3646 \] - atom: 30 pair\_distance: 7.02627492 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3647, 3648, 3649, 3650, 3651, 3652 \] - atom: 31 pair\_distance: 7.02627492 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3653, 3654, 3655, 3656, 3657, 3658 \] - atom: 32 pair\_distance: 7.02627492 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3659, 3660, 3661, 3662, 3663, 3664 \] - atom: 33 pair\_distance: 7.88616798 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3665, 3666, 3667, 3668, 3669, 3670 \] - atom: 34 pair\_distance: 7.88616798 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3671, 3672, 3673, 3674, 3675, 3676 \] - atom: 35 pair\_distance: 7.88616798 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3677, 3678, 3679, 3680, 3681, 3682 \] - atom: 36 pair\_distance: 8.80287624 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3683, 3684, 3685, 3686, 3687, 3688 \] - atom: 37 pair\_distance: 4.86204587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3689, 3690, 3691, 3692, 3693, 3694 \] - atom: 38 pair\_distance: 6.24007010 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3695, 3696, 3697, 3698, 3699, 3700 \] - atom: 39 pair\_distance: 4.86204587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3701, 3702, 3703, 3704, 3705, 3706 \] - atom: 40 pair\_distance: 4.86204587 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3707, 3708, 3709, 3710, 3711, 3712 \] - atom: 41 pair\_distance: 12.72948266 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3713, 3714, 3715, 3716, 3717, 3718 \] - atom: 42 pair\_distance: 13.31685824 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3719, 3720, 3721, 3722, 3723, 3724 \] - atom: 43 pair\_distance: 13.31685824 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3725, 3726, 3727, 3728, 3729, 3730 \] - atom: 44 pair\_distance: 13.31685824 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3731, 3732, 3733, 3734, 3735, 3736 \] - atom: 45 pair\_distance: 14.62390579 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3737, 3738, 3739, 3740, 3741, 3742 \] - atom: 46 pair\_distance: 14.62390579 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3743, 3744, 3745, 3746, 3747, 3748 \] - atom: 47 pair\_distance: 14.62390579 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3749, 3750, 3751, 3752, 3753, 3754 \] - atom: 48 pair\_distance: 15.13795249 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3755, 3756, 3757, 3758, 3759, 3760 \] - atom: 49 pair\_distance: 0.00000000 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3761, 3762, 3763, 3764, 3765, 3766 \] - atom: 50 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3767, 3768, 3769, 3770, 3771, 3772 \] - atom: 51 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3773, 3774, 3775, 3776, 3777, 3778 \] - atom: 52 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3779, 3780, 3781, 3782, 3783, 3784 \] - atom: 53 pair\_distance: 8.72113855 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3785, 3786, 3787, 3788, 3789, 3790 \] - atom: 54 pair\_distance: 9.55809826 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3791, 3792, 3793, 3794, 3795, 3796 \] - atom: 55 pair\_distance: 8.72113855 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3797, 3798, 3799, 3800, 3801, 3802 \] - atom: 56 pair\_distance: 8.72113855 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3803, 3804, 3805, 3806, 3807, 3808 \] - atom: 57 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3809, 3810, 3811, 3812, 3813, 3814 \] - atom: 58 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3815, 3816, 3817, 3818, 3819, 3820 \] - atom: 59 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3821, 3822, 3823, 3824, 3825, 3826 \] - atom: 60 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3827, 3828, 3829, 3830, 3831, 3832 \] - atom: 61 pair\_distance: 2.83807316 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3833, 3834, 3835, 3836, 3837, 3838 \] - atom: 62 pair\_distance: 2.83807316 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3839, 3840, 3841, 3842, 3843, 3844 \] - atom: 63 pair\_distance: 2.83807316 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3845, 3846, 3847, 3848, 3849, 3850 \] - atom: 64 pair\_distance: 4.83256082 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3851, 3852, 3853, 3854, 3855, 3856 \] - atom: 65 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3857, 3858, 3859, 3860, 3861, 3862 \] - atom: 66 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3863, 3864, 3865, 3866, 3867, 3868 \] - atom: 67 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3869, 3870, 3871, 3872, 3873, 3874 \] - atom: 68 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3875, 3876, 3877, 3878, 3879, 3880 \] - atom: 69 pair\_distance: 11.86171386 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3881, 3882, 3883, 3884, 3885, 3886 \] - atom: 70 pair\_distance: 12.48996560 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3887, 3888, 3889, 3890, 3891, 3892 \] - atom: 71 pair\_distance: 12.48996560 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3893, 3894, 3895, 3896, 3897, 3898 \] - atom: 72 pair\_distance: 12.48996560 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3899, 3900, 3901, 3902, 3903, 3904 \] - atom: 73 pair\_distance: 2.33381754 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3905, 3906, 3907, 3908, 3909, 3910 \] - atom: 74 pair\_distance: 2.33381754 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3911, 3912, 3913, 3914, 3915, 3916 \] - atom: 75 pair\_distance: 2.33381754 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3917, 3918, 3919, 3920, 3921, 3922 \] - atom: 76 pair\_distance: 4.55474358 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3923, 3924, 3925, 3926, 3927, 3928 \] - atom: 77 pair\_distance: 8.15355445 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3929, 3930, 3931, 3932, 3933, 3934 \] - atom: 78 pair\_distance: 8.15355445 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3935, 3936, 3937, 3938, 3939, 3940 \] - atom: 79 pair\_distance: 8.15355445 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3941, 3942, 3943, 3944, 3945, 3946 \] - atom: 80 pair\_distance: 9.04319827 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3947, 3948, 3949, 3950, 3951, 3952 \] - atom: 81 pair\_distance: 9.55359990 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3953, 3954, 3955, 3956, 3957, 3958 \] - atom: 82 pair\_distance: 10.32328707 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3959, 3960, 3961, 3962, 3963, 3964 \] - atom: 83 pair\_distance: 10.32328707 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3965, 3966, 3967, 3968, 3969, 3970 \] - atom: 84 pair\_distance: 10.32328707 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3971, 3972, 3973, 3974, 3975, 3976 \] - atom: 85 pair\_distance: 2.30811396 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3977, 3978, 3979, 3980, 3981, 3982 \] - atom: 86 pair\_distance: 4.54162689 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3983, 3984, 3985, 3986, 3987, 3988 \] - atom: 87 pair\_distance: 4.54162689 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3989, 3990, 3991, 3992, 3993, 3994 \] - atom: 88 pair\_distance: 4.54162689 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 3995, 3996, 3997, 3998, 3999, 4000 \] - atom: 89 pair\_distance: 10.96682873 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4001, 4002, 4003, 4004, 4005, 4006 \] - atom: 90 pair\_distance: 11.64346672 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4007, 4008, 4009, 4010, 4011, 4012 \] - atom: 91 pair\_distance: 10.96682873 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4013, 4014, 4015, 4016, 4017, 4018 \] - atom: 92 pair\_distance: 10.96682873 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4019, 4020, 4021, 4022, 4023, 4024 \] - atom: 93 pair\_distance: 12.65395233 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4025, 4026, 4027, 4028, 4029, 4030 \] - atom: 94 pair\_distance: 13.24467797 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4031, 4032, 4033, 4034, 4035, 4036 \] - atom: 95 pair\_distance: 12.65395233 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4037, 4038, 4039, 4040, 4041, 4042 \] - atom: 96 pair\_distance: 12.65395233 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4043, 4044, 4045, 4046, 4047, 4048 \] - atom: 49 displacement: \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_id: 11 paired\_with: - atom: 1 pair\_distance: 5.58135118 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4049, 4050, 4051, 4052 \] - atom: 2 pair\_distance: 6.81545786 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4053, 4054 \] - atom: 5 pair\_distance: 3.31959425 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4055, 4056 \] - atom: 6 pair\_distance: 5.13017453 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4057, 4058, 4059, 4060 \] - atom: 9 pair\_distance: 5.52152162 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: \[ 4061, 4062, 4063, 4064 \] - atom: 12 pair\_distance: 6.76654903 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4065, 4066 \] - atom: 13 pair\_distance: 7.18710494 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4067, 4068, 4069, 4070 \] - atom: 14 pair\_distance: 8.18250953 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4071, 4072 \] - atom: 17 pair\_distance: 15.18130811 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4073, 4074 \] - atom: 18 pair\_distance: 15.67708840 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4075, 4076, 4077, 4078 \] - atom: 21 pair\_distance: 13.65038879 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: \[ 4079, 4080, 4081, 4082 \] - atom: 24 pair\_distance: 14.19972179 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4083, 4084 \] - atom: 25 pair\_distance: 3.43381559 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4085, 4086, 4087, 4088 \] - atom: 26 pair\_distance: 5.20481261 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4089, 4090 \] - atom: 29 pair\_distance: 5.83691309 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4091, 4092 \] - atom: 30 pair\_distance: 7.02627492 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4093, 4094, 4095, 4096 \] - atom: 33 pair\_distance: 7.88616798 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: \[ 4097, 4098, 4099, 4100 \] - atom: 36 pair\_distance: 8.80287624 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4101, 4102 \] - atom: 37 pair\_distance: 4.86204587 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4103, 4104, 4105, 4106 \] - atom: 38 pair\_distance: 6.24007010 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4107, 4108 \] - atom: 41 pair\_distance: 12.72948266 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4109, 4110 \] - atom: 42 pair\_distance: 13.31685824 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4111, 4112, 4113, 4114 \] - atom: 45 pair\_distance: 14.62390579 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: \[ 4115, 4116, 4117, 4118 \] - atom: 48 pair\_distance: 15.13795249 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4119, 4120 \] - atom: 49 pair\_distance: 0.00000000 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4121, 4122 \] - atom: 50 pair\_distance: 3.91139167 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4123, 4124, 4125, 4126 \] - atom: 53 pair\_distance: 8.72113855 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4127, 4128, 4129, 4130 \] - atom: 54 pair\_distance: 9.55809826 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4131, 4132 \] - atom: 57 pair\_distance: 10.39105817 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4133, 4134, 4135, 4136 \] - atom: 58 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4137, 4138 \] - atom: 61 pair\_distance: 2.83807316 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: \[ 4139, 4140, 4141, 4142 \] - atom: 64 pair\_distance: 4.83256082 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4143, 4144 \] - atom: 65 pair\_distance: 10.39105817 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: \[ 4145, 4146, 4147, 4148 \] - atom: 68 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4149, 4150 \] - atom: 69 pair\_distance: 11.86171386 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4151, 4152 \] - atom: 70 pair\_distance: 12.48996560 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4153, 4154, 4155, 4156 \] - atom: 73 pair\_distance: 2.33381754 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: \[ 4157, 4158, 4159, 4160 \] - atom: 76 pair\_distance: 4.55474358 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4161, 4162 \] - atom: 77 pair\_distance: 8.15355445 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: \[ 4163, 4164, 4165, 4166 \] - atom: 80 pair\_distance: 9.04319827 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4167, 4168 \] - atom: 81 pair\_distance: 9.55359990 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4169, 4170 \] - atom: 82 pair\_distance: 10.32328707 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4171, 4172, 4173, 4174 \] - atom: 85 pair\_distance: 2.30811396 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4175, 4176 \] - atom: 86 pair\_distance: 4.54162689 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4177, 4178, 4179, 4180 \] - atom: 89 pair\_distance: 10.96682873 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4181, 4182, 4183, 4184 \] - atom: 90 pair\_distance: 11.64346672 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4185, 4186 \] - atom: 93 pair\_distance: 12.65395233 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4187, 4188, 4189, 4190 \] - atom: 94 pair\_distance: 13.24467797 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4191, 4192 \] - atom: 49 displacement: \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_id: 12 paired\_with: - atom: 1 pair\_distance: 5.58135118 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4193, 4194, 4195, 4196 \] - atom: 2 pair\_distance: 6.81545786 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4197, 4198 \] - atom: 5 pair\_distance: 3.31959425 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4199, 4200 \] - atom: 6 pair\_distance: 5.13017453 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4201, 4202, 4203, 4204 \] - atom: 9 pair\_distance: 5.52152162 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: \[ 4205, 4206, 4207, 4208 \] - atom: 12 pair\_distance: 6.76654903 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4209, 4210 \] - atom: 13 pair\_distance: 7.18710494 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4211, 4212, 4213, 4214 \] - atom: 14 pair\_distance: 8.18250953 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4215, 4216 \] - atom: 17 pair\_distance: 15.18130811 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4217, 4218 \] - atom: 18 pair\_distance: 15.67708840 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4219, 4220, 4221, 4222 \] - atom: 21 pair\_distance: 13.65038879 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: \[ 4223, 4224, 4225, 4226 \] - atom: 24 pair\_distance: 14.19972179 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4227, 4228 \] - atom: 25 pair\_distance: 3.43381559 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4229, 4230, 4231, 4232 \] - atom: 26 pair\_distance: 5.20481261 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4233, 4234 \] - atom: 29 pair\_distance: 5.83691309 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4235, 4236 \] - atom: 30 pair\_distance: 7.02627492 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4237, 4238, 4239, 4240 \] - atom: 33 pair\_distance: 7.88616798 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: \[ 4241, 4242, 4243, 4244 \] - atom: 36 pair\_distance: 8.80287624 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4245, 4246 \] - atom: 37 pair\_distance: 4.86204587 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4247, 4248, 4249, 4250 \] - atom: 38 pair\_distance: 6.24007010 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4251, 4252 \] - atom: 41 pair\_distance: 12.72948266 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4253, 4254 \] - atom: 42 pair\_distance: 13.31685824 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4255, 4256, 4257, 4258 \] - atom: 45 pair\_distance: 14.62390579 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: \[ 4259, 4260, 4261, 4262 \] - atom: 48 pair\_distance: 15.13795249 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4263, 4264 \] - atom: 49 pair\_distance: 0.00000000 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4265, 4266 \] - atom: 50 pair\_distance: 3.91139167 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4267, 4268, 4269, 4270 \] - atom: 53 pair\_distance: 8.72113855 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4271, 4272, 4273, 4274 \] - atom: 54 pair\_distance: 9.55809826 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4275, 4276 \] - atom: 57 pair\_distance: 10.39105817 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4277, 4278, 4279, 4280 \] - atom: 58 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4281, 4282 \] - atom: 61 pair\_distance: 2.83807316 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: \[ 4283, 4284, 4285, 4286 \] - atom: 64 pair\_distance: 4.83256082 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4287, 4288 \] - atom: 65 pair\_distance: 10.39105817 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: \[ 4289, 4290, 4291, 4292 \] - atom: 68 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4293, 4294 \] - atom: 69 pair\_distance: 11.86171386 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4295, 4296 \] - atom: 70 pair\_distance: 12.48996560 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4297, 4298, 4299, 4300 \] - atom: 73 pair\_distance: 2.33381754 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: \[ 4301, 4302, 4303, 4304 \] - atom: 76 pair\_distance: 4.55474358 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4305, 4306 \] - atom: 77 pair\_distance: 8.15355445 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: \[ 4307, 4308, 4309, 4310 \] - atom: 80 pair\_distance: 9.04319827 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4311, 4312 \] - atom: 81 pair\_distance: 9.55359990 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4313, 4314 \] - atom: 82 pair\_distance: 10.32328707 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4315, 4316, 4317, 4318 \] - atom: 85 pair\_distance: 2.30811396 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4319, 4320 \] - atom: 86 pair\_distance: 4.54162689 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4321, 4322, 4323, 4324 \] - atom: 89 pair\_distance: 10.96682873 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4325, 4326, 4327, 4328 \] - atom: 90 pair\_distance: 11.64346672 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4329, 4330 \] - atom: 93 pair\_distance: 12.65395233 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4331, 4332, 4333, 4334 \] - atom: 94 pair\_distance: 13.24467797 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 4335, 4336 \] - atom: 73 displacement: \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] displacement\_id: 13 paired\_with: - atom: 1 pair\_distance: 5.04825132 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4337, 4338, 4339, 4340, 4341, 4342 \] - atom: 2 pair\_distance: 5.04825132 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4343, 4344, 4345, 4346, 4347, 4348 \] - atom: 3 pair\_distance: 6.38622159 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4349, 4350, 4351, 4352, 4353, 4354 \] - atom: 4 pair\_distance: 5.04825132 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4355, 4356, 4357, 4358, 4359, 4360 \] - atom: 5 pair\_distance: 3.54333775 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4361, 4362, 4363, 4364, 4365, 4366 \] - atom: 6 pair\_distance: 3.54333775 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4367, 4368, 4369, 4370, 4371, 4372 \] - atom: 7 pair\_distance: 3.54333775 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4373, 4374, 4375, 4376, 4377, 4378 \] - atom: 8 pair\_distance: 5.27771041 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4379, 4380, 4381, 4382, 4383, 4384 \] - atom: 9 pair\_distance: 5.62770821 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4385, 4386, 4387, 4388, 4389, 4390 \] - atom: 10 pair\_distance: 6.85347244 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4391, 4392, 4393, 4394, 4395, 4396 \] - atom: 11 pair\_distance: 6.85347244 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4397, 4398, 4399, 4400, 4401, 4402 \] - atom: 12 pair\_distance: 6.85347244 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4403, 4404, 4405, 4406, 4407, 4408 \] - atom: 13 pair\_distance: 7.74858388 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4409, 4410, 4411, 4412, 4413, 4414 \] - atom: 14 pair\_distance: 7.74858388 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4415, 4416, 4417, 4418, 4419, 4420 \] - atom: 15 pair\_distance: 8.67983508 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4421, 4422, 4423, 4424, 4425, 4426 \] - atom: 16 pair\_distance: 7.74858388 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4427, 4428, 4429, 4430, 4431, 4432 \] - atom: 17 pair\_distance: 14.83063647 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4433, 4434, 4435, 4436, 4437, 4438 \] - atom: 18 pair\_distance: 14.83063647 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4439, 4440, 4441, 4442, 4443, 4444 \] - atom: 19 pair\_distance: 14.83063647 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4445, 4446, 4447, 4448, 4449, 4450 \] - atom: 20 pair\_distance: 15.33775612 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4451, 4452, 4453, 4454, 4455, 4456 \] - atom: 21 pair\_distance: 12.87319415 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4457, 4458, 4459, 4460, 4461, 4462 \] - atom: 22 pair\_distance: 13.45429717 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4463, 4464, 4465, 4466, 4467, 4468 \] - atom: 23 pair\_distance: 13.45429717 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4469, 4470, 4471, 4472, 4473, 4474 \] - atom: 24 pair\_distance: 13.45429717 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4475, 4476, 4477, 4478, 4479, 4480 \] - atom: 25 pair\_distance: 3.01502431 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4481, 4482, 4483, 4484, 4485, 4486 \] - atom: 26 pair\_distance: 3.01502431 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4487, 4488, 4489, 4490, 4491, 4492 \] - atom: 27 pair\_distance: 4.93855813 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4493, 4494, 4495, 4496, 4497, 4498 \] - atom: 28 pair\_distance: 3.01502431 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4499, 4500, 4501, 4502, 4503, 4504 \] - atom: 29 pair\_distance: 5.71307003 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4505, 4506, 4507, 4508, 4509, 4510 \] - atom: 30 pair\_distance: 5.71307003 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4511, 4512, 4513, 4514, 4515, 4516 \] - atom: 31 pair\_distance: 5.71307003 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4517, 4518, 4519, 4520, 4521, 4522 \] - atom: 32 pair\_distance: 6.92373844 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4523, 4524, 4525, 4526, 4527, 4528 \] - atom: 33 pair\_distance: 8.14502705 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4529, 4530, 4531, 4532, 4533, 4534 \] - atom: 34 pair\_distance: 9.03551053 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4535, 4536, 4537, 4538, 4539, 4540 \] - atom: 35 pair\_distance: 9.03551053 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4541, 4542, 4543, 4544, 4545, 4546 \] - atom: 36 pair\_distance: 9.03551053 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4547, 4548, 4549, 4550, 4551, 4552 \] - atom: 37 pair\_distance: 5.39069969 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4553, 4554, 4555, 4556, 4557, 4558 \] - atom: 38 pair\_distance: 5.39069969 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4559, 4560, 4561, 4562, 4563, 4564 \] - atom: 39 pair\_distance: 6.66022732 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4565, 4566, 4567, 4568, 4569, 4570 \] - atom: 40 pair\_distance: 5.39069969 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4571, 4572, 4573, 4574, 4575, 4576 \] - atom: 41 pair\_distance: 12.34862229 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4577, 4578, 4579, 4580, 4581, 4582 \] - atom: 42 pair\_distance: 12.34862229 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4583, 4584, 4585, 4586, 4587, 4588 \] - atom: 43 pair\_distance: 12.34862229 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4589, 4590, 4591, 4592, 4593, 4594 \] - atom: 44 pair\_distance: 12.95327979 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4595, 4596, 4597, 4598, 4599, 4600 \] - atom: 45 pair\_distance: 15.03759662 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4601, 4602, 4603, 4604, 4605, 4606 \] - atom: 46 pair\_distance: 15.53796308 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4607, 4608, 4609, 4610, 4611, 4612 \] - atom: 47 pair\_distance: 15.53796308 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4613, 4614, 4615, 4616, 4617, 4618 \] - atom: 48 pair\_distance: 15.53796308 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4619, 4620, 4621, 4622, 4623, 4624 \] - atom: 49 pair\_distance: 2.33381754 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4625, 4626, 4627, 4628, 4629, 4630 \] - atom: 50 pair\_distance: 2.33381754 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4631, 4632, 4633, 4634, 4635, 4636 \] - atom: 51 pair\_distance: 2.33381754 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4637, 4638, 4639, 4640, 4641, 4642 \] - atom: 52 pair\_distance: 4.55474358 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4643, 4644, 4645, 4646, 4647, 4648 \] - atom: 53 pair\_distance: 8.15355445 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4649, 4650, 4651, 4652, 4653, 4654 \] - atom: 54 pair\_distance: 8.15355445 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4655, 4656, 4657, 4658, 4659, 4660 \] - atom: 55 pair\_distance: 9.04319827 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4661, 4662, 4663, 4664, 4665, 4666 \] - atom: 56 pair\_distance: 8.15355445 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4667, 4668, 4669, 4670, 4671, 4672 \] - atom: 57 pair\_distance: 10.96682873 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4673, 4674, 4675, 4676, 4677, 4678 \] - atom: 58 pair\_distance: 10.96682873 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4679, 4680, 4681, 4682, 4683, 4684 \] - atom: 59 pair\_distance: 11.64346672 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4685, 4686, 4687, 4688, 4689, 4690 \] - atom: 60 pair\_distance: 10.96682873 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4691, 4692, 4693, 4694, 4695, 4696 \] - atom: 61 pair\_distance: 2.30811396 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4697, 4698, 4699, 4700, 4701, 4702 \] - atom: 62 pair\_distance: 4.54162689 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4703, 4704, 4705, 4706, 4707, 4708 \] - atom: 63 pair\_distance: 4.54162689 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4709, 4710, 4711, 4712, 4713, 4714 \] - atom: 64 pair\_distance: 4.54162689 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4715, 4716, 4717, 4718, 4719, 4720 \] - atom: 65 pair\_distance: 9.55359990 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4721, 4722, 4723, 4724, 4725, 4726 \] - atom: 66 pair\_distance: 10.32328707 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4727, 4728, 4729, 4730, 4731, 4732 \] - atom: 67 pair\_distance: 10.32328707 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4733, 4734, 4735, 4736, 4737, 4738 \] - atom: 68 pair\_distance: 10.32328707 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4739, 4740, 4741, 4742, 4743, 4744 \] - atom: 69 pair\_distance: 12.65395233 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4745, 4746, 4747, 4748, 4749, 4750 \] - atom: 70 pair\_distance: 12.65395233 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4751, 4752, 4753, 4754, 4755, 4756 \] - atom: 71 pair\_distance: 12.65395233 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4757, 4758, 4759, 4760, 4761, 4762 \] - atom: 72 pair\_distance: 13.24467797 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4763, 4764, 4765, 4766, 4767, 4768 \] - atom: 73 pair\_distance: 0.00000000 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4769, 4770, 4771, 4772, 4773, 4774 \] - atom: 74 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4775, 4776, 4777, 4778, 4779, 4780 \] - atom: 75 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4781, 4782, 4783, 4784, 4785, 4786 \] - atom: 76 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4787, 4788, 4789, 4790, 4791, 4792 \] - atom: 77 pair\_distance: 7.24548594 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4793, 4794, 4795, 4796, 4797, 4798 \] - atom: 78 pair\_distance: 8.23383576 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4799, 4800, 4801, 4802, 4803, 4804 \] - atom: 79 pair\_distance: 8.23383576 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4805, 4806, 4807, 4808, 4809, 4810 \] - atom: 80 pair\_distance: 8.23383576 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4811, 4812, 4813, 4814, 4815, 4816 \] - atom: 81 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4817, 4818, 4819, 4820, 4821, 4822 \] - atom: 82 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4823, 4824, 4825, 4826, 4827, 4828 \] - atom: 83 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4829, 4830, 4831, 4832, 4833, 4834 \] - atom: 84 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4835, 4836, 4837, 4838, 4839, 4840 \] - atom: 85 pair\_distance: 3.67335398 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4841, 4842, 4843, 4844, 4845, 4846 \] - atom: 86 pair\_distance: 3.67335398 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4847, 4848, 4849, 4850, 4851, 4852 \] - atom: 87 pair\_distance: 3.67335398 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4853, 4854, 4855, 4856, 4857, 4858 \] - atom: 88 pair\_distance: 5.36586566 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4859, 4860, 4861, 4862, 4863, 4864 \] - atom: 89 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4865, 4866, 4867, 4868, 4869, 4870 \] - atom: 90 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4871, 4872, 4873, 4874, 4875, 4876 \] - atom: 91 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4877, 4878, 4879, 4880, 4881, 4882 \] - atom: 92 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4883, 4884, 4885, 4886, 4887, 4888 \] - atom: 93 pair\_distance: 13.23401630 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4889, 4890, 4891, 4892, 4893, 4894 \] - atom: 94 pair\_distance: 13.23401630 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4895, 4896, 4897, 4898, 4899, 4900 \] - atom: 95 pair\_distance: 13.79993377 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4901, 4902, 4903, 4904, 4905, 4906 \] - atom: 96 pair\_distance: 13.23401630 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4907, 4908, 4909, 4910, 4911, 4912 \] - atom: 73 displacement: \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] displacement\_id: 14 paired\_with: - atom: 1 pair\_distance: 5.04825132 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4913, 4914, 4915, 4916, 4917, 4918 \] - atom: 2 pair\_distance: 5.04825132 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4919, 4920, 4921, 4922, 4923, 4924 \] - atom: 3 pair\_distance: 6.38622159 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4925, 4926, 4927, 4928, 4929, 4930 \] - atom: 4 pair\_distance: 5.04825132 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4931, 4932, 4933, 4934, 4935, 4936 \] - atom: 5 pair\_distance: 3.54333775 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4937, 4938, 4939, 4940, 4941, 4942 \] - atom: 6 pair\_distance: 3.54333775 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4943, 4944, 4945, 4946, 4947, 4948 \] - atom: 7 pair\_distance: 3.54333775 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4949, 4950, 4951, 4952, 4953, 4954 \] - atom: 8 pair\_distance: 5.27771041 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4955, 4956, 4957, 4958, 4959, 4960 \] - atom: 9 pair\_distance: 5.62770821 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4961, 4962, 4963, 4964, 4965, 4966 \] - atom: 10 pair\_distance: 6.85347244 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4967, 4968, 4969, 4970, 4971, 4972 \] - atom: 11 pair\_distance: 6.85347244 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4973, 4974, 4975, 4976, 4977, 4978 \] - atom: 12 pair\_distance: 6.85347244 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4979, 4980, 4981, 4982, 4983, 4984 \] - atom: 13 pair\_distance: 7.74858388 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4985, 4986, 4987, 4988, 4989, 4990 \] - atom: 14 pair\_distance: 7.74858388 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4991, 4992, 4993, 4994, 4995, 4996 \] - atom: 15 pair\_distance: 8.67983508 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 4997, 4998, 4999, 5000, 5001, 5002 \] - atom: 16 pair\_distance: 7.74858388 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5003, 5004, 5005, 5006, 5007, 5008 \] - atom: 17 pair\_distance: 14.83063647 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5009, 5010, 5011, 5012, 5013, 5014 \] - atom: 18 pair\_distance: 14.83063647 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5015, 5016, 5017, 5018, 5019, 5020 \] - atom: 19 pair\_distance: 14.83063647 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5021, 5022, 5023, 5024, 5025, 5026 \] - atom: 20 pair\_distance: 15.33775612 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5027, 5028, 5029, 5030, 5031, 5032 \] - atom: 21 pair\_distance: 12.87319415 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5033, 5034, 5035, 5036, 5037, 5038 \] - atom: 22 pair\_distance: 13.45429717 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5039, 5040, 5041, 5042, 5043, 5044 \] - atom: 23 pair\_distance: 13.45429717 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5045, 5046, 5047, 5048, 5049, 5050 \] - atom: 24 pair\_distance: 13.45429717 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5051, 5052, 5053, 5054, 5055, 5056 \] - atom: 25 pair\_distance: 3.01502431 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5057, 5058, 5059, 5060, 5061, 5062 \] - atom: 26 pair\_distance: 3.01502431 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5063, 5064, 5065, 5066, 5067, 5068 \] - atom: 27 pair\_distance: 4.93855813 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5069, 5070, 5071, 5072, 5073, 5074 \] - atom: 28 pair\_distance: 3.01502431 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5075, 5076, 5077, 5078, 5079, 5080 \] - atom: 29 pair\_distance: 5.71307003 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5081, 5082, 5083, 5084, 5085, 5086 \] - atom: 30 pair\_distance: 5.71307003 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5087, 5088, 5089, 5090, 5091, 5092 \] - atom: 31 pair\_distance: 5.71307003 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5093, 5094, 5095, 5096, 5097, 5098 \] - atom: 32 pair\_distance: 6.92373844 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5099, 5100, 5101, 5102, 5103, 5104 \] - atom: 33 pair\_distance: 8.14502705 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5105, 5106, 5107, 5108, 5109, 5110 \] - atom: 34 pair\_distance: 9.03551053 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5111, 5112, 5113, 5114, 5115, 5116 \] - atom: 35 pair\_distance: 9.03551053 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5117, 5118, 5119, 5120, 5121, 5122 \] - atom: 36 pair\_distance: 9.03551053 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5123, 5124, 5125, 5126, 5127, 5128 \] - atom: 37 pair\_distance: 5.39069969 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5129, 5130, 5131, 5132, 5133, 5134 \] - atom: 38 pair\_distance: 5.39069969 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5135, 5136, 5137, 5138, 5139, 5140 \] - atom: 39 pair\_distance: 6.66022732 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5141, 5142, 5143, 5144, 5145, 5146 \] - atom: 40 pair\_distance: 5.39069969 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5147, 5148, 5149, 5150, 5151, 5152 \] - atom: 41 pair\_distance: 12.34862229 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5153, 5154, 5155, 5156, 5157, 5158 \] - atom: 42 pair\_distance: 12.34862229 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5159, 5160, 5161, 5162, 5163, 5164 \] - atom: 43 pair\_distance: 12.34862229 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5165, 5166, 5167, 5168, 5169, 5170 \] - atom: 44 pair\_distance: 12.95327979 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5171, 5172, 5173, 5174, 5175, 5176 \] - atom: 45 pair\_distance: 15.03759662 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5177, 5178, 5179, 5180, 5181, 5182 \] - atom: 46 pair\_distance: 15.53796308 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5183, 5184, 5185, 5186, 5187, 5188 \] - atom: 47 pair\_distance: 15.53796308 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5189, 5190, 5191, 5192, 5193, 5194 \] - atom: 48 pair\_distance: 15.53796308 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5195, 5196, 5197, 5198, 5199, 5200 \] - atom: 49 pair\_distance: 2.33381754 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5201, 5202, 5203, 5204, 5205, 5206 \] - atom: 50 pair\_distance: 2.33381754 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5207, 5208, 5209, 5210, 5211, 5212 \] - atom: 51 pair\_distance: 2.33381754 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5213, 5214, 5215, 5216, 5217, 5218 \] - atom: 52 pair\_distance: 4.55474358 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5219, 5220, 5221, 5222, 5223, 5224 \] - atom: 53 pair\_distance: 8.15355445 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5225, 5226, 5227, 5228, 5229, 5230 \] - atom: 54 pair\_distance: 8.15355445 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5231, 5232, 5233, 5234, 5235, 5236 \] - atom: 55 pair\_distance: 9.04319827 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5237, 5238, 5239, 5240, 5241, 5242 \] - atom: 56 pair\_distance: 8.15355445 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5243, 5244, 5245, 5246, 5247, 5248 \] - atom: 57 pair\_distance: 10.96682873 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5249, 5250, 5251, 5252, 5253, 5254 \] - atom: 58 pair\_distance: 10.96682873 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5255, 5256, 5257, 5258, 5259, 5260 \] - atom: 59 pair\_distance: 11.64346672 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5261, 5262, 5263, 5264, 5265, 5266 \] - atom: 60 pair\_distance: 10.96682873 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5267, 5268, 5269, 5270, 5271, 5272 \] - atom: 61 pair\_distance: 2.30811396 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5273, 5274, 5275, 5276, 5277, 5278 \] - atom: 62 pair\_distance: 4.54162689 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5279, 5280, 5281, 5282, 5283, 5284 \] - atom: 63 pair\_distance: 4.54162689 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5285, 5286, 5287, 5288, 5289, 5290 \] - atom: 64 pair\_distance: 4.54162689 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5291, 5292, 5293, 5294, 5295, 5296 \] - atom: 65 pair\_distance: 9.55359990 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5297, 5298, 5299, 5300, 5301, 5302 \] - atom: 66 pair\_distance: 10.32328707 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5303, 5304, 5305, 5306, 5307, 5308 \] - atom: 67 pair\_distance: 10.32328707 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5309, 5310, 5311, 5312, 5313, 5314 \] - atom: 68 pair\_distance: 10.32328707 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5315, 5316, 5317, 5318, 5319, 5320 \] - atom: 69 pair\_distance: 12.65395233 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5321, 5322, 5323, 5324, 5325, 5326 \] - atom: 70 pair\_distance: 12.65395233 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5327, 5328, 5329, 5330, 5331, 5332 \] - atom: 71 pair\_distance: 12.65395233 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5333, 5334, 5335, 5336, 5337, 5338 \] - atom: 72 pair\_distance: 13.24467797 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5339, 5340, 5341, 5342, 5343, 5344 \] - atom: 73 pair\_distance: 0.00000000 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5345, 5346, 5347, 5348, 5349, 5350 \] - atom: 74 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5351, 5352, 5353, 5354, 5355, 5356 \] - atom: 75 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5357, 5358, 5359, 5360, 5361, 5362 \] - atom: 76 pair\_distance: 3.91139167 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5363, 5364, 5365, 5366, 5367, 5368 \] - atom: 77 pair\_distance: 7.24548594 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5369, 5370, 5371, 5372, 5373, 5374 \] - atom: 78 pair\_distance: 8.23383576 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5375, 5376, 5377, 5378, 5379, 5380 \] - atom: 79 pair\_distance: 8.23383576 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5381, 5382, 5383, 5384, 5385, 5386 \] - atom: 80 pair\_distance: 8.23383576 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5387, 5388, 5389, 5390, 5391, 5392 \] - atom: 81 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5393, 5394, 5395, 5396, 5397, 5398 \] - atom: 82 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5399, 5400, 5401, 5402, 5403, 5404 \] - atom: 83 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5405, 5406, 5407, 5408, 5409, 5410 \] - atom: 84 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5411, 5412, 5413, 5414, 5415, 5416 \] - atom: 85 pair\_distance: 3.67335398 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5417, 5418, 5419, 5420, 5421, 5422 \] - atom: 86 pair\_distance: 3.67335398 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5423, 5424, 5425, 5426, 5427, 5428 \] - atom: 87 pair\_distance: 3.67335398 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5429, 5430, 5431, 5432, 5433, 5434 \] - atom: 88 pair\_distance: 5.36586566 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5435, 5436, 5437, 5438, 5439, 5440 \] - atom: 89 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5441, 5442, 5443, 5444, 5445, 5446 \] - atom: 90 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5447, 5448, 5449, 5450, 5451, 5452 \] - atom: 91 pair\_distance: 11.10284084 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5453, 5454, 5455, 5456, 5457, 5458 \] - atom: 92 pair\_distance: 10.39105817 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5459, 5460, 5461, 5462, 5463, 5464 \] - atom: 93 pair\_distance: 13.23401630 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5465, 5466, 5467, 5468, 5469, 5470 \] - atom: 94 pair\_distance: 13.23401630 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5471, 5472, 5473, 5474, 5475, 5476 \] - atom: 95 pair\_distance: 13.79993377 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5477, 5478, 5479, 5480, 5481, 5482 \] - atom: 96 pair\_distance: 13.23401630 displacements: - \[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 \] - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5483, 5484, 5485, 5486, 5487, 5488 \] - atom: 73 displacement: \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] displacement\_id: 15 paired\_with: - atom: 1 pair\_distance: 5.04825132 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: \[ 5489, 5490, 5491, 5492 \] - atom: 3 pair\_distance: 6.38622159 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5493, 5494 \] - atom: 5 pair\_distance: 3.54333775 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: \[ 5495, 5496, 5497, 5498 \] - atom: 8 pair\_distance: 5.27771041 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5499, 5500 \] - atom: 9 pair\_distance: 5.62770821 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5501, 5502 \] - atom: 10 pair\_distance: 6.85347244 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5503, 5504, 5505, 5506 \] - atom: 13 pair\_distance: 7.74858388 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: \[ 5507, 5508, 5509, 5510 \] - atom: 15 pair\_distance: 8.67983508 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5511, 5512 \] - atom: 17 pair\_distance: 14.83063647 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: \[ 5513, 5514, 5515, 5516 \] - atom: 20 pair\_distance: 15.33775612 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5517, 5518 \] - atom: 21 pair\_distance: 12.87319415 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5519, 5520 \] - atom: 22 pair\_distance: 13.45429717 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5521, 5522, 5523, 5524 \] - atom: 25 pair\_distance: 3.01502431 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: \[ 5525, 5526, 5527, 5528 \] - atom: 27 pair\_distance: 4.93855813 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5529, 5530 \] - atom: 29 pair\_distance: 5.71307003 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: \[ 5531, 5532, 5533, 5534 \] - atom: 32 pair\_distance: 6.92373844 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5535, 5536 \] - atom: 33 pair\_distance: 8.14502705 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5537, 5538 \] - atom: 34 pair\_distance: 9.03551053 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5539, 5540, 5541, 5542 \] - atom: 37 pair\_distance: 5.39069969 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: \[ 5543, 5544, 5545, 5546 \] - atom: 39 pair\_distance: 6.66022732 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5547, 5548 \] - atom: 41 pair\_distance: 12.34862229 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: \[ 5549, 5550, 5551, 5552 \] - atom: 44 pair\_distance: 12.95327979 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5553, 5554 \] - atom: 45 pair\_distance: 15.03759662 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5555, 5556 \] - atom: 46 pair\_distance: 15.53796308 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5557, 5558, 5559, 5560 \] - atom: 49 pair\_distance: 2.33381754 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: \[ 5561, 5562, 5563, 5564 \] - atom: 52 pair\_distance: 4.55474358 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5565, 5566 \] - atom: 53 pair\_distance: 8.15355445 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: \[ 5567, 5568, 5569, 5570 \] - atom: 55 pair\_distance: 9.04319827 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5571, 5572 \] - atom: 57 pair\_distance: 10.96682873 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: \[ 5573, 5574, 5575, 5576 \] - atom: 59 pair\_distance: 11.64346672 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5577, 5578 \] - atom: 61 pair\_distance: 2.30811396 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5579, 5580 \] - atom: 62 pair\_distance: 4.54162689 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5581, 5582, 5583, 5584 \] - atom: 65 pair\_distance: 9.55359990 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5585, 5586 \] - atom: 66 pair\_distance: 10.32328707 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5587, 5588, 5589, 5590 \] - atom: 69 pair\_distance: 12.65395233 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: \[ 5591, 5592, 5593, 5594 \] - atom: 72 pair\_distance: 13.24467797 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5595, 5596 \] - atom: 73 pair\_distance: 0.00000000 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5597, 5598 \] - atom: 74 pair\_distance: 3.91139167 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5599, 5600, 5601, 5602 \] - atom: 77 pair\_distance: 7.24548594 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5603, 5604 \] - atom: 78 pair\_distance: 8.23383576 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5605, 5606, 5607, 5608 \] - atom: 81 pair\_distance: 10.39105817 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: \[ 5609, 5610, 5611, 5612 \] - atom: 84 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5613, 5614 \] - atom: 85 pair\_distance: 3.67335398 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: \[ 5615, 5616, 5617, 5618 \] - atom: 88 pair\_distance: 5.36586566 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5619, 5620 \] - atom: 89 pair\_distance: 10.39105817 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: \[ 5621, 5622, 5623, 5624 \] - atom: 91 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5625, 5626 \] - atom: 93 pair\_distance: 13.23401630 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: \[ 5627, 5628, 5629, 5630 \] - atom: 95 pair\_distance: 13.79993377 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5631, 5632 \] - atom: 73 displacement: \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_id: 16 paired\_with: - atom: 1 pair\_distance: 5.04825132 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: \[ 5633, 5634, 5635, 5636 \] - atom: 3 pair\_distance: 6.38622159 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5637, 5638 \] - atom: 5 pair\_distance: 3.54333775 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: \[ 5639, 5640, 5641, 5642 \] - atom: 8 pair\_distance: 5.27771041 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5643, 5644 \] - atom: 9 pair\_distance: 5.62770821 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5645, 5646 \] - atom: 10 pair\_distance: 6.85347244 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5647, 5648, 5649, 5650 \] - atom: 13 pair\_distance: 7.74858388 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: \[ 5651, 5652, 5653, 5654 \] - atom: 15 pair\_distance: 8.67983508 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5655, 5656 \] - atom: 17 pair\_distance: 14.83063647 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: \[ 5657, 5658, 5659, 5660 \] - atom: 20 pair\_distance: 15.33775612 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5661, 5662 \] - atom: 21 pair\_distance: 12.87319415 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5663, 5664 \] - atom: 22 pair\_distance: 13.45429717 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5665, 5666, 5667, 5668 \] - atom: 25 pair\_distance: 3.01502431 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: \[ 5669, 5670, 5671, 5672 \] - atom: 27 pair\_distance: 4.93855813 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5673, 5674 \] - atom: 29 pair\_distance: 5.71307003 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: \[ 5675, 5676, 5677, 5678 \] - atom: 32 pair\_distance: 6.92373844 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5679, 5680 \] - atom: 33 pair\_distance: 8.14502705 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5681, 5682 \] - atom: 34 pair\_distance: 9.03551053 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5683, 5684, 5685, 5686 \] - atom: 37 pair\_distance: 5.39069969 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: \[ 5687, 5688, 5689, 5690 \] - atom: 39 pair\_distance: 6.66022732 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5691, 5692 \] - atom: 41 pair\_distance: 12.34862229 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: \[ 5693, 5694, 5695, 5696 \] - atom: 44 pair\_distance: 12.95327979 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5697, 5698 \] - atom: 45 pair\_distance: 15.03759662 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5699, 5700 \] - atom: 46 pair\_distance: 15.53796308 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5701, 5702, 5703, 5704 \] - atom: 49 pair\_distance: 2.33381754 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: \[ 5705, 5706, 5707, 5708 \] - atom: 52 pair\_distance: 4.55474358 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5709, 5710 \] - atom: 53 pair\_distance: 8.15355445 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: \[ 5711, 5712, 5713, 5714 \] - atom: 55 pair\_distance: 9.04319827 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5715, 5716 \] - atom: 57 pair\_distance: 10.96682873 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: \[ 5717, 5718, 5719, 5720 \] - atom: 59 pair\_distance: 11.64346672 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5721, 5722 \] - atom: 61 pair\_distance: 2.30811396 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5723, 5724 \] - atom: 62 pair\_distance: 4.54162689 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5725, 5726, 5727, 5728 \] - atom: 65 pair\_distance: 9.55359990 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5729, 5730 \] - atom: 66 pair\_distance: 10.32328707 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5731, 5732, 5733, 5734 \] - atom: 69 pair\_distance: 12.65395233 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: \[ 5735, 5736, 5737, 5738 \] - atom: 72 pair\_distance: 13.24467797 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5739, 5740 \] - atom: 73 pair\_distance: 0.00000000 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5741, 5742 \] - atom: 74 pair\_distance: 3.91139167 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5743, 5744, 5745, 5746 \] - atom: 77 pair\_distance: 7.24548594 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5747, 5748 \] - atom: 78 pair\_distance: 8.23383576 displacements: - \[ -0.0050000000000000, 0.0086602540378444, 0.0000000000000000 \] - \[ 0.0050000000000000, -0.0086602540378444, 0.0000000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 \] - \[ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 \] displacement\_ids: \[ 5749, 5750, 5751, 5752 \] - atom: 81 pair\_distance: 10.39105817 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: \[ 5753, 5754, 5755, 5756 \] - atom: 84 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5757, 5758 \] - atom: 85 pair\_distance: 3.67335398 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: \[ 5759, 5760, 5761, 5762 \] - atom: 88 pair\_distance: 5.36586566 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5763, 5764 \] - atom: 89 pair\_distance: 10.39105817 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: \[ 5765, 5766, 5767, 5768 \] - atom: 91 pair\_distance: 11.10284084 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5769, 5770 \] - atom: 93 pair\_distance: 13.23401630 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: \[ 5771, 5772, 5773, 5774 \] - atom: 95 pair\_distance: 13.79993377 displacements: - \[ 0.0024899363826384, 0.0000000000000000, 0.0096850512032933 \] - \[ -0.0024899363826384, 0.0000000000000000, -0.0096850512032933 \] displacement\_ids: \[ 5775, 5776 \] displacement\_pair\_info: number\_of\_singles: 16 number\_of\_pairs: 5760 duplicated\_supercell\_ids: # 0 means perfect supercell - \[ 1457, 161 \] - \[ 2033, 162 \] - \[ 1458, 737 \] - \[ 2034, 738 \] - \[ 2897, 305 \] - \[ 3473, 306 \] - \[ 2898, 881 \] - \[ 3474, 882 \] - \[ 4051, 1243 \] - \[ 4195, 1244 \] - \[ 4052, 1387 \] - \[ 4196, 1388 \] - \[ 4337, 449 \] - \[ 4913, 450 \] - \[ 5489, 453 \] - \[ 5633, 454 \] - \[ 4338, 1025 \] - \[ 4914, 1026 \] - \[ 5490, 1029 \] - \[ 5634, 1030 \] - \[ 4341, 1277 \] - \[ 4917, 1278 \] - \[ 5491, 1279 \] - \[ 5635, 1280 \] - \[ 4342, 1421 \] - \[ 4918, 1422 \] - \[ 5492, 1423 \] - \[ 5636, 1424 \] - \[ 3041, 1745 \] - \[ 3617, 1746 \] - \[ 3042, 2321 \] - \[ 3618, 2322 \] - \[ 4087, 2683 \] - \[ 4231, 2684 \] - \[ 4088, 2827 \] - \[ 4232, 2828 \] - \[ 4481, 1889 \] - \[ 5057, 1890 \] - \[ 5525, 1893 \] - \[ 5669, 1894 \] - \[ 4482, 2465 \] - \[ 5058, 2466 \] - \[ 5526, 2469 \] - \[ 5670, 2470 \] - \[ 4485, 2717 \] - \[ 5061, 2718 \] - \[ 5527, 2719 \] - \[ 5671, 2720 \] - \[ 4486, 2861 \] - \[ 5062, 2862 \] - \[ 5528, 2863 \] - \[ 5672, 2864 \] - \[ 4625, 3329 \] - \[ 5201, 3330 \] - \[ 5561, 3333 \] - \[ 5705, 3334 \] - \[ 4626, 3905 \] - \[ 5202, 3906 \] - \[ 5562, 3909 \] - \[ 5706, 3910 \] - \[ 4629, 4157 \] - \[ 5205, 4158 \] - \[ 5563, 4159 \] - \[ 5707, 4160 \] - \[ 4630, 4301 \] - \[ 5206, 4302 \] - \[ 5564, 4303 \] - \[ 5708, 4304 \] - \[ 594, 0 \] - \[ 18, 0 \] - \[ 593, 0 \] - \[ 17, 0 \] - \[ 2178, 0 \] - \[ 1602, 0 \] - \[ 2177, 0 \] - \[ 1601, 0 \] - \[ 3762, 0 \] - \[ 3186, 0 \] - \[ 3761, 0 \] - \[ 3185, 0 \] - \[ 5346, 0 \] - \[ 4770, 0 \] - \[ 5345, 0 \] - \[ 4769, 0 \]