# Fileset

[phono3py_mlp_eval_fc3_disp.yaml.xz](https://mdr.nims.go.jp/filesets/be358883-c351-479d-b429-8adb83345f75/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 Ba3SiS5 / Pnma (62) / materials id 27805](https://mdr.nims.go.jp/datasets/eef695e0-0794-4a69-949d-f2af2548152c)

## Fulltext

phono3py:  version: "3.21.0"  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05space_group:  type: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"primitive_matrix:- [  1.000000000000000,  0.000000000000000,  0.000000000000000 ]- [  0.000000000000000,  1.000000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    11.854673950000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.449917279999998,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.502252900000000 ] # c  points:  - symbol: Si # 1    coordinates: [  0.597863140065782,  0.250000000000000,  0.306477925973672 ]    mass: 28.085500  - symbol: Si # 2    coordinates: [  0.097863140065782,  0.250000000000000,  0.193522074026328 ]    mass: 28.085500  - symbol: Si # 3    coordinates: [  0.402136859934218,  0.750000000000000,  0.693522074026328 ]    mass: 28.085500  - symbol: Si # 4    coordinates: [  0.902136859934218,  0.750000000000000,  0.806477925973672 ]    mass: 28.085500  - symbol: S # 5    coordinates: [  0.235060132808436,  0.250000000000000,  0.683761282614058 ]    mass: 32.065000  - symbol: S # 6    coordinates: [  0.264939867191564,  0.750000000000000,  0.183761282614058 ]    mass: 32.065000  - symbol: S # 7    coordinates: [  0.764939867191564,  0.750000000000000,  0.316238717385942 ]    mass: 32.065000  - symbol: S # 8    coordinates: [  0.735060132808436,  0.250000000000000,  0.816238717385942 ]    mass: 32.065000  - symbol: S # 9    coordinates: [  0.004469565590842,  0.250000000000000,  0.982433034322466 ]    mass: 32.065000  - symbol: S # 10    coordinates: [  0.495530434409158,  0.750000000000000,  0.482433034322466 ]    mass: 32.065000  - symbol: S # 11    coordinates: [  0.995530434409158,  0.750000000000000,  0.017566965677534 ]    mass: 32.065000  - symbol: S # 12    coordinates: [  0.504469565590842,  0.250000000000000,  0.517566965677534 ]    mass: 32.065000  - symbol: S # 13    coordinates: [  0.275170487359077,  0.250000000000000,  0.151209580052116 ]    mass: 32.065000  - symbol: S # 14    coordinates: [  0.775170487359077,  0.250000000000000,  0.348790419947884 ]    mass: 32.065000  - symbol: S # 15    coordinates: [  0.724829512640923,  0.750000000000000,  0.848790419947884 ]    mass: 32.065000  - symbol: S # 16    coordinates: [  0.224829512640923,  0.750000000000000,  0.651209580052116 ]    mass: 32.065000  - symbol: S # 17    coordinates: [  0.945167994097718,  0.563499578657936,  0.684777535467101 ]    mass: 32.065000  - symbol: S # 18    coordinates: [  0.554832005902282,  0.436500421342065,  0.184777535467101 ]    mass: 32.065000  - symbol: S # 19    coordinates: [  0.054832005902282,  0.063499578657935,  0.315222464532899 ]    mass: 32.065000  - symbol: S # 20    coordinates: [  0.445167994097718,  0.936500421342064,  0.815222464532899 ]    mass: 32.065000  - symbol: S # 21    coordinates: [  0.054832005902282,  0.436500421342065,  0.315222464532899 ]    mass: 32.065000  - symbol: S # 22    coordinates: [  0.445167994097718,  0.563499578657936,  0.815222464532899 ]    mass: 32.065000  - symbol: S # 23    coordinates: [  0.945167994097718,  0.936500421342064,  0.684777535467101 ]    mass: 32.065000  - symbol: S # 24    coordinates: [  0.554832005902282,  0.063499578657935,  0.184777535467101 ]    mass: 32.065000  - symbol: Ba # 25    coordinates: [  0.478497907024821,  0.250000000000000,  0.887588312998989 ]    mass: 137.327000  - symbol: Ba # 26    coordinates: [  0.021502092975179,  0.750000000000000,  0.387588312998989 ]    mass: 137.327000  - symbol: Ba # 27    coordinates: [  0.521502092975179,  0.750000000000000,  0.112411687001011 ]    mass: 137.327000  - symbol: Ba # 28    coordinates: [  0.978497907024821,  0.250000000000000,  0.612411687001011 ]    mass: 137.327000  - symbol: Ba # 29    coordinates: [  0.818331771808537,  0.480790734021191,  0.075412960335249 ]    mass: 137.327000  - symbol: Ba # 30    coordinates: [  0.681668228191463,  0.519209265978809,  0.575412960335249 ]    mass: 137.327000  - symbol: Ba # 31    coordinates: [  0.181668228191463,  0.980790734021191,  0.924587039664751 ]    mass: 137.327000  - symbol: Ba # 32    coordinates: [  0.318331771808537,  0.019209265978809,  0.424587039664751 ]    mass: 137.327000  - symbol: Ba # 33    coordinates: [  0.181668228191463,  0.519209265978809,  0.924587039664751 ]    mass: 137.327000  - symbol: Ba # 34    coordinates: [  0.318331771808537,  0.480790734021191,  0.424587039664751 ]    mass: 137.327000  - symbol: Ba # 35    coordinates: [  0.818331771808537,  0.019209265978809,  0.075412960335249 ]    mass: 137.327000  - symbol: Ba # 36    coordinates: [  0.681668228191463,  0.980790734021191,  0.575412960335249 ]    mass: 137.327000  reciprocal_lattice: # without 2pi  - [     0.084354913869225,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.105821032118072,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.117615885079118 ] # c*unit_cell:  lattice:  - [    11.854673950000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.449917279999998,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.502252900000000 ] # c  points:  - symbol: Si # 1    coordinates: [  0.597863140065782,  0.250000000000000,  0.306477925973672 ]    mass: 28.085500    reduced_to: 1  - symbol: Si # 2    coordinates: [  0.097863140065782,  0.250000000000000,  0.193522074026328 ]    mass: 28.085500    reduced_to: 2  - symbol: Si # 3    coordinates: [  0.402136859934218,  0.750000000000000,  0.693522074026328 ]    mass: 28.085500    reduced_to: 3  - symbol: Si # 4    coordinates: [  0.902136859934218,  0.750000000000000,  0.806477925973672 ]    mass: 28.085500    reduced_to: 4  - symbol: S # 5    coordinates: [  0.235060132808436,  0.250000000000000,  0.683761282614058 ]    mass: 32.065000    reduced_to: 5  - symbol: S # 6    coordinates: [  0.264939867191564,  0.750000000000000,  0.183761282614058 ]    mass: 32.065000    reduced_to: 6  - symbol: S # 7    coordinates: [  0.764939867191564,  0.750000000000000,  0.316238717385942 ]    mass: 32.065000    reduced_to: 7  - symbol: S # 8    coordinates: [  0.735060132808436,  0.250000000000000,  0.816238717385942 ]    mass: 32.065000    reduced_to: 8  - symbol: S # 9    coordinates: [  0.004469565590842,  0.250000000000000,  0.982433034322466 ]    mass: 32.065000    reduced_to: 9  - symbol: S # 10    coordinates: [  0.495530434409158,  0.750000000000000,  0.482433034322466 ]    mass: 32.065000    reduced_to: 10  - symbol: S # 11    coordinates: [  0.995530434409158,  0.750000000000000,  0.017566965677534 ]    mass: 32.065000    reduced_to: 11  - symbol: S # 12    coordinates: [  0.504469565590842,  0.250000000000000,  0.517566965677534 ]    mass: 32.065000    reduced_to: 12  - symbol: S # 13    coordinates: [  0.275170487359077,  0.250000000000000,  0.151209580052116 ]    mass: 32.065000    reduced_to: 13  - symbol: S # 14    coordinates: [  0.775170487359077,  0.250000000000000,  0.348790419947884 ]    mass: 32.065000    reduced_to: 14  - symbol: S # 15    coordinates: [  0.724829512640923,  0.750000000000000,  0.848790419947884 ]    mass: 32.065000    reduced_to: 15  - symbol: S # 16    coordinates: [  0.224829512640923,  0.750000000000000,  0.651209580052116 ]    mass: 32.065000    reduced_to: 16  - symbol: S # 17    coordinates: [  0.945167994097718,  0.563499578657936,  0.684777535467101 ]    mass: 32.065000    reduced_to: 17  - symbol: S # 18    coordinates: [  0.554832005902282,  0.436500421342065,  0.184777535467101 ]    mass: 32.065000    reduced_to: 18  - symbol: S # 19    coordinates: [  0.054832005902282,  0.063499578657935,  0.315222464532899 ]    mass: 32.065000    reduced_to: 19  - symbol: S # 20    coordinates: [  0.445167994097718,  0.936500421342064,  0.815222464532899 ]    mass: 32.065000    reduced_to: 20  - symbol: S # 21    coordinates: [  0.054832005902282,  0.436500421342065,  0.315222464532899 ]    mass: 32.065000    reduced_to: 21  - symbol: S # 22    coordinates: [  0.445167994097718,  0.563499578657936,  0.815222464532899 ]    mass: 32.065000    reduced_to: 22  - symbol: S # 23    coordinates: [  0.945167994097718,  0.936500421342064,  0.684777535467101 ]    mass: 32.065000    reduced_to: 23  - symbol: S # 24    coordinates: [  0.554832005902282,  0.063499578657935,  0.184777535467101 ]    mass: 32.065000    reduced_to: 24  - symbol: Ba # 25    coordinates: [  0.478497907024821,  0.250000000000000,  0.887588312998989 ]    mass: 137.327000    reduced_to: 25  - symbol: Ba # 26    coordinates: [  0.021502092975179,  0.750000000000000,  0.387588312998989 ]    mass: 137.327000    reduced_to: 26  - symbol: Ba # 27    coordinates: [  0.521502092975179,  0.750000000000000,  0.112411687001011 ]    mass: 137.327000    reduced_to: 27  - symbol: Ba # 28    coordinates: [  0.978497907024821,  0.250000000000000,  0.612411687001011 ]    mass: 137.327000    reduced_to: 28  - symbol: Ba # 29    coordinates: [  0.818331771808537,  0.480790734021191,  0.075412960335249 ]    mass: 137.327000    reduced_to: 29  - symbol: Ba # 30    coordinates: [  0.681668228191463,  0.519209265978809,  0.575412960335249 ]    mass: 137.327000    reduced_to: 30  - symbol: Ba # 31    coordinates: [  0.181668228191463,  0.980790734021191,  0.924587039664751 ]    mass: 137.327000    reduced_to: 31  - symbol: Ba # 32    coordinates: [  0.318331771808537,  0.019209265978809,  0.424587039664751 ]    mass: 137.327000    reduced_to: 32  - symbol: Ba # 33    coordinates: [  0.181668228191463,  0.519209265978809,  0.924587039664751 ]    mass: 137.327000    reduced_to: 33  - symbol: Ba # 34    coordinates: [  0.318331771808537,  0.480790734021191,  0.424587039664751 ]    mass: 137.327000    reduced_to: 34  - symbol: Ba # 35    coordinates: [  0.818331771808537,  0.019209265978809,  0.075412960335249 ]    mass: 137.327000    reduced_to: 35  - symbol: Ba # 36    coordinates: [  0.681668228191463,  0.980790734021191,  0.575412960335249 ]    mass: 137.327000    reduced_to: 36supercell:  lattice:  - [    11.854673950000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    18.899834559999995,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    17.004505800000000 ] # c  points:  - symbol: Si # 1    coordinates: [  0.597863140065782,  0.125000000000000,  0.153238962986836 ]    mass: 28.085500    reduced_to: 1  - symbol: Si # 2    coordinates: [  0.597863140065782,  0.625000000000000,  0.153238962986836 ]    mass: 28.085500    reduced_to: 1  - symbol: Si # 3    coordinates: [  0.597863140065782,  0.125000000000000,  0.653238962986836 ]    mass: 28.085500    reduced_to: 1  - symbol: Si # 4    coordinates: [  0.597863140065782,  0.625000000000000,  0.653238962986836 ]    mass: 28.085500    reduced_to: 1  - symbol: Si # 5    coordinates: [  0.097863140065782,  0.125000000000000,  0.096761037013164 ]    mass: 28.085500    reduced_to: 5  - symbol: Si # 6    coordinates: [  0.097863140065782,  0.625000000000000,  0.096761037013164 ]    mass: 28.085500    reduced_to: 5  - symbol: Si # 7    coordinates: [  0.097863140065782,  0.125000000000000,  0.596761037013164 ]    mass: 28.085500    reduced_to: 5  - symbol: Si # 8    coordinates: [  0.097863140065782,  0.625000000000000,  0.596761037013164 ]    mass: 28.085500    reduced_to: 5  - symbol: Si # 9    coordinates: [  0.402136859934218,  0.375000000000000,  0.346761037013164 ]    mass: 28.085500    reduced_to: 9  - symbol: Si # 10    coordinates: [  0.402136859934218,  0.875000000000000,  0.346761037013164 ]    mass: 28.085500    reduced_to: 9  - symbol: Si # 11    coordinates: [  0.402136859934218,  0.375000000000000,  0.846761037013164 ]    mass: 28.085500    reduced_to: 9  - symbol: Si # 12    coordinates: [  0.402136859934218,  0.875000000000000,  0.846761037013164 ]    mass: 28.085500    reduced_to: 9  - symbol: Si # 13    coordinates: [  0.902136859934218,  0.375000000000000,  0.403238962986836 ]    mass: 28.085500    reduced_to: 13  - symbol: Si # 14    coordinates: [  0.902136859934218,  0.875000000000000,  0.403238962986836 ]    mass: 28.085500    reduced_to: 13  - symbol: Si # 15    coordinates: [  0.902136859934218,  0.375000000000000,  0.903238962986836 ]    mass: 28.085500    reduced_to: 13  - symbol: Si # 16    coordinates: [  0.902136859934218,  0.875000000000000,  0.903238962986836 ]    mass: 28.085500    reduced_to: 13  - symbol: S # 17    coordinates: [  0.235060132808436,  0.125000000000000,  0.341880641307029 ]    mass: 32.065000    reduced_to: 17  - symbol: S # 18    coordinates: [  0.235060132808436,  0.625000000000000,  0.341880641307029 ]    mass: 32.065000    reduced_to: 17  - symbol: S # 19    coordinates: [  0.235060132808436,  0.125000000000000,  0.841880641307029 ]    mass: 32.065000    reduced_to: 17  - symbol: S # 20    coordinates: [  0.235060132808436,  0.625000000000000,  0.841880641307029 ]    mass: 32.065000    reduced_to: 17  - symbol: S # 21    coordinates: [  0.264939867191564,  0.375000000000000,  0.091880641307029 ]    mass: 32.065000    reduced_to: 21  - symbol: S # 22    coordinates: [  0.264939867191564,  0.875000000000000,  0.091880641307029 ]    mass: 32.065000    reduced_to: 21  - symbol: S # 23    coordinates: [  0.264939867191564,  0.375000000000000,  0.591880641307029 ]    mass: 32.065000    reduced_to: 21  - symbol: S # 24    coordinates: [  0.264939867191564,  0.875000000000000,  0.591880641307029 ]    mass: 32.065000    reduced_to: 21  - 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symbol: S # 49    coordinates: [  0.275170487359077,  0.125000000000000,  0.075604790026058 ]    mass: 32.065000    reduced_to: 49  - symbol: S # 50    coordinates: [  0.275170487359077,  0.625000000000000,  0.075604790026058 ]    mass: 32.065000    reduced_to: 49  - symbol: S # 51    coordinates: [  0.275170487359077,  0.125000000000000,  0.575604790026058 ]    mass: 32.065000    reduced_to: 49  - symbol: S # 52    coordinates: [  0.275170487359077,  0.625000000000000,  0.575604790026058 ]    mass: 32.065000    reduced_to: 49  - symbol: S # 53    coordinates: [  0.775170487359077,  0.125000000000000,  0.174395209973942 ]    mass: 32.065000    reduced_to: 53  - symbol: S # 54    coordinates: [  0.775170487359077,  0.625000000000000,  0.174395209973942 ]    mass: 32.065000    reduced_to: 53  - symbol: S # 55    coordinates: [  0.775170487359077,  0.125000000000000,  0.674395209973942 ]    mass: 32.065000    reduced_to: 53  - symbol: S # 56    coordinates: [  0.775170487359077,  0.625000000000000,  0.674395209973942 ]    mass: 32.065000    reduced_to: 53  - symbol: S # 57    coordinates: [  0.724829512640923,  0.375000000000000,  0.424395209973942 ]    mass: 32.065000    reduced_to: 57  - symbol: S # 58    coordinates: [  0.724829512640923,  0.875000000000000,  0.424395209973942 ]    mass: 32.065000    reduced_to: 57  - symbol: S # 59    coordinates: [  0.724829512640923,  0.375000000000000,  0.924395209973942 ]    mass: 32.065000    reduced_to: 57  - symbol: S # 60    coordinates: [  0.724829512640923,  0.875000000000000,  0.924395209973942 ]    mass: 32.065000    reduced_to: 57  - symbol: S # 61    coordinates: [  0.224829512640923,  0.375000000000000,  0.325604790026058 ]    mass: 32.065000    reduced_to: 61  - symbol: S # 62    coordinates: [  0.224829512640923,  0.875000000000000,  0.325604790026058 ]    mass: 32.065000    reduced_to: 61  - symbol: S # 63    coordinates: [  0.224829512640923,  0.375000000000000,  0.825604790026058 ]    mass: 32.065000    reduced_to: 61  - symbol: S # 64    coordinates: [  0.224829512640923,  0.875000000000000,  0.825604790026058 ]    mass: 32.065000    reduced_to: 61  - symbol: S # 65    coordinates: [  0.945167994097718,  0.281749789328968,  0.342388767733550 ]    mass: 32.065000    reduced_to: 65  - symbol: S # 66    coordinates: [  0.945167994097718,  0.781749789328968,  0.342388767733550 ]    mass: 32.065000    reduced_to: 65  - symbol: S # 67    coordinates: [  0.945167994097718,  0.281749789328968,  0.842388767733550 ]    mass: 32.065000    reduced_to: 65  - symbol: S # 68    coordinates: [  0.945167994097718,  0.781749789328968,  0.842388767733550 ]    mass: 32.065000    reduced_to: 65  - symbol: S # 69    coordinates: [  0.554832005902282,  0.218250210671033,  0.092388767733550 ]    mass: 32.065000    reduced_to: 69  - symbol: S # 70    coordinates: [  0.554832005902282,  0.718250210671032,  0.092388767733550 ]    mass: 32.065000    reduced_to: 69  - symbol: S # 71    coordinates: [  0.554832005902282,  0.218250210671033,  0.592388767733551 ]    mass: 32.065000    reduced_to: 69  - symbol: S # 72    coordinates: [  0.554832005902282,  0.718250210671032,  0.592388767733551 ]    mass: 32.065000    reduced_to: 69  - symbol: S # 73    coordinates: [  0.054832005902282,  0.031749789328967,  0.157611232266449 ]    mass: 32.065000    reduced_to: 73  - symbol: S # 74    coordinates: [  0.054832005902282,  0.531749789328968,  0.157611232266449 ]    mass: 32.065000    reduced_to: 73  - symbol: S # 75    coordinates: [  0.054832005902282,  0.031749789328967,  0.657611232266449 ]    mass: 32.065000    reduced_to: 73  - symbol: S # 76    coordinates: [  0.054832005902282,  0.531749789328968,  0.657611232266449 ]    mass: 32.065000    reduced_to: 73  - symbol: S # 77    coordinates: [  0.445167994097718,  0.468250210671032,  0.407611232266450 ]    mass: 32.065000    reduced_to: 77  - symbol: S # 78    coordinates: [  0.445167994097718,  0.968250210671032,  0.407611232266450 ]    mass: 32.065000    reduced_to: 77  - symbol: S # 79    coordinates: [  0.445167994097718,  0.468250210671032,  0.907611232266450 ]    mass: 32.065000    reduced_to: 77  - symbol: S # 80    coordinates: [  0.445167994097718,  0.968250210671032,  0.907611232266450 ]    mass: 32.065000    reduced_to: 77  - symbol: S # 81    coordinates: [  0.054832005902282,  0.218250210671033,  0.157611232266449 ]    mass: 32.065000    reduced_to: 81  - symbol: S # 82    coordinates: [  0.054832005902282,  0.718250210671032,  0.157611232266449 ]    mass: 32.065000    reduced_to: 81  - symbol: S # 83    coordinates: [  0.054832005902282,  0.218250210671033,  0.657611232266449 ]    mass: 32.065000    reduced_to: 81  - symbol: S # 84    coordinates: [  0.054832005902282,  0.718250210671032,  0.657611232266449 ]    mass: 32.065000    reduced_to: 81  - symbol: S # 85    coordinates: [  0.445167994097718,  0.281749789328968,  0.407611232266450 ]    mass: 32.065000    reduced_to: 85  - symbol: S # 86    coordinates: [  0.445167994097718,  0.781749789328968,  0.407611232266450 ]    mass: 32.065000    reduced_to: 85  - symbol: S # 87    coordinates: [  0.445167994097718,  0.281749789328968,  0.907611232266450 ]    mass: 32.065000    reduced_to: 85  - symbol: S # 88    coordinates: [  0.445167994097718,  0.781749789328968,  0.907611232266450 ]    mass: 32.065000    reduced_to: 85  - symbol: S # 89    coordinates: [  0.945167994097718,  0.468250210671032,  0.342388767733550 ]    mass: 32.065000    reduced_to: 89  - symbol: S # 90    coordinates: [  0.945167994097718,  0.968250210671032,  0.342388767733550 ]    mass: 32.065000    reduced_to: 89  - symbol: S # 91    coordinates: [  0.945167994097718,  0.468250210671032,  0.842388767733550 ]    mass: 32.065000    reduced_to: 89  - symbol: S # 92    coordinates: [  0.945167994097718,  0.968250210671032,  0.842388767733550 ]    mass: 32.065000    reduced_to: 89  - symbol: S # 93    coordinates: [  0.554832005902282,  0.031749789328967,  0.092388767733550 ]    mass: 32.065000    reduced_to: 93  - symbol: S # 94    coordinates: [  0.554832005902282,  0.531749789328968,  0.092388767733550 ]    mass: 32.065000    reduced_to: 93  - symbol: S # 95    coordinates: [  0.554832005902282,  0.031749789328967,  0.592388767733551 ]    mass: 32.065000    reduced_to: 93  - symbol: S # 96    coordinates: [  0.554832005902282,  0.531749789328968,  0.592388767733551 ]    mass: 32.065000    reduced_to: 93  - symbol: Ba # 97    coordinates: [  0.478497907024821,  0.125000000000000,  0.443794156499494 ]    mass: 137.327000    reduced_to: 97  - symbol: Ba # 98    coordinates: [  0.478497907024821,  0.625000000000000,  0.443794156499494 ]    mass: 137.327000    reduced_to: 97  - symbol: Ba # 99    coordinates: [  0.478497907024821,  0.125000000000000,  0.943794156499494 ]    mass: 137.327000    reduced_to: 97  - symbol: Ba # 100    coordinates: [  0.478497907024821,  0.625000000000000,  0.943794156499494 ]    mass: 137.327000    reduced_to: 97  - symbol: Ba # 101    coordinates: [  0.021502092975179,  0.375000000000000,  0.193794156499494 ]    mass: 137.327000    reduced_to: 101  - symbol: Ba # 102    coordinates: [  0.021502092975179,  0.875000000000000,  0.193794156499494 ]    mass: 137.327000    reduced_to: 101  - symbol: Ba # 103    coordinates: [  0.021502092975179,  0.375000000000000,  0.693794156499494 ]    mass: 137.327000    reduced_to: 101  - symbol: Ba # 104    coordinates: [  0.021502092975179,  0.875000000000000,  0.693794156499494 ]    mass: 137.327000    reduced_to: 101  - symbol: Ba # 105    coordinates: [  0.521502092975179,  0.375000000000000,  0.056205843500505 ]    mass: 137.327000    reduced_to: 105  - symbol: Ba # 106    coordinates: [  0.521502092975179,  0.875000000000000,  0.056205843500505 ]    mass: 137.327000    reduced_to: 105  - symbol: Ba # 107    coordinates: [  0.521502092975179,  0.375000000000000,  0.556205843500506 ]    mass: 137.327000    reduced_to: 105  - symbol: Ba # 108    coordinates: [  0.521502092975179,  0.875000000000000,  0.556205843500506 ]    mass: 137.327000    reduced_to: 105  - symbol: Ba # 109    coordinates: [  0.978497907024821,  0.125000000000000,  0.306205843500506 ]    mass: 137.327000    reduced_to: 109  - symbol: Ba # 110    coordinates: [  0.978497907024821,  0.625000000000000,  0.306205843500506 ]    mass: 137.327000    reduced_to: 109  - symbol: Ba # 111    coordinates: [  0.978497907024821,  0.125000000000000,  0.806205843500506 ]    mass: 137.327000    reduced_to: 109  - symbol: Ba # 112    coordinates: [  0.978497907024821,  0.625000000000000,  0.806205843500506 ]    mass: 137.327000    reduced_to: 109  - symbol: Ba # 113    coordinates: [  0.818331771808537,  0.240395367010595,  0.037706480167624 ]    mass: 137.327000    reduced_to: 113  - symbol: Ba # 114    coordinates: [  0.818331771808537,  0.740395367010595,  0.037706480167624 ]    mass: 137.327000    reduced_to: 113  - symbol: Ba # 115    coordinates: [  0.818331771808537,  0.240395367010595,  0.537706480167624 ]    mass: 137.327000    reduced_to: 113  - symbol: Ba # 116    coordinates: [  0.818331771808537,  0.740395367010595,  0.537706480167624 ]    mass: 137.327000    reduced_to: 113  - symbol: Ba # 117    coordinates: [  0.681668228191463,  0.259604632989405,  0.287706480167625 ]    mass: 137.327000    reduced_to: 117  - symbol: Ba # 118    coordinates: [  0.681668228191463,  0.759604632989405,  0.287706480167625 ]    mass: 137.327000    reduced_to: 117  - symbol: Ba # 119    coordinates: [  0.681668228191463,  0.259604632989405,  0.787706480167625 ]    mass: 137.327000    reduced_to: 117  - symbol: Ba # 120    coordinates: [  0.681668228191463,  0.759604632989405,  0.787706480167625 ]    mass: 137.327000    reduced_to: 117  - symbol: Ba # 121    coordinates: [  0.181668228191463,  0.490395367010595,  0.462293519832375 ]    mass: 137.327000    reduced_to: 121  - symbol: Ba # 122    coordinates: [  0.181668228191463,  0.990395367010595,  0.462293519832375 ]    mass: 137.327000    reduced_to: 121  - symbol: Ba # 123    coordinates: [  0.181668228191463,  0.490395367010595,  0.962293519832375 ]    mass: 137.327000    reduced_to: 121  - symbol: Ba # 124    coordinates: [  0.181668228191463,  0.990395367010595,  0.962293519832375 ]    mass: 137.327000    reduced_to: 121  - symbol: Ba # 125    coordinates: [  0.318331771808537,  0.009604632989404,  0.212293519832375 ]    mass: 137.327000    reduced_to: 125  - symbol: Ba # 126    coordinates: [  0.318331771808537,  0.509604632989405,  0.212293519832375 ]    mass: 137.327000    reduced_to: 125  - symbol: Ba # 127    coordinates: [  0.318331771808537,  0.009604632989404,  0.712293519832375 ]    mass: 137.327000    reduced_to: 125  - symbol: Ba # 128    coordinates: [  0.318331771808537,  0.509604632989405,  0.712293519832375 ]    mass: 137.327000    reduced_to: 125  - symbol: Ba # 129    coordinates: [  0.181668228191463,  0.259604632989405,  0.462293519832375 ]    mass: 137.327000    reduced_to: 129  - symbol: Ba # 130    coordinates: [  0.181668228191463,  0.759604632989405,  0.462293519832375 ]    mass: 137.327000    reduced_to: 129  - symbol: Ba # 131    coordinates: [  0.181668228191463,  0.259604632989405,  0.962293519832375 ]    mass: 137.327000    reduced_to: 129  - symbol: Ba # 132    coordinates: [  0.181668228191463,  0.759604632989405,  0.962293519832375 ]    mass: 137.327000    reduced_to: 129  - symbol: Ba # 133    coordinates: [  0.318331771808537,  0.240395367010595,  0.212293519832375 ]    mass: 137.327000    reduced_to: 133  - symbol: Ba # 134    coordinates: [  0.318331771808537,  0.740395367010595,  0.212293519832375 ]    mass: 137.327000    reduced_to: 133  - symbol: Ba # 135    coordinates: [  0.318331771808537,  0.240395367010595,  0.712293519832375 ]    mass: 137.327000    reduced_to: 133  - symbol: Ba # 136    coordinates: [  0.318331771808537,  0.740395367010595,  0.712293519832375 ]    mass: 137.327000    reduced_to: 133  - symbol: Ba # 137    coordinates: [  0.818331771808537,  0.009604632989404,  0.037706480167624 ]    mass: 137.327000    reduced_to: 137  - symbol: Ba # 138    coordinates: [  0.818331771808537,  0.509604632989405,  0.037706480167624 ]    mass: 137.327000    reduced_to: 137  - symbol: Ba # 139    coordinates: [  0.818331771808537,  0.009604632989404,  0.537706480167624 ]    mass: 137.327000    reduced_to: 137  - symbol: Ba # 140    coordinates: [  0.818331771808537,  0.509604632989405,  0.537706480167624 ]    mass: 137.327000    reduced_to: 137  - symbol: Ba # 141    coordinates: [  0.681668228191463,  0.490395367010595,  0.287706480167625 ]    mass: 137.327000    reduced_to: 141  - symbol: Ba # 142    coordinates: [  0.681668228191463,  0.990395367010595,  0.287706480167625 ]    mass: 137.327000    reduced_to: 141  - symbol: Ba # 143    coordinates: [  0.681668228191463,  0.490395367010595,  0.787706480167625 ]    mass: 137.327000    reduced_to: 141  - symbol: Ba # 144    coordinates: [  0.681668228191463,  0.990395367010595,  0.787706480167625 ]    mass: 137.327000    reduced_to: 141nac:  born_effective_charge:  - # 1 (Si)    - [  2.710714018888889,  0.000000000000000, -0.133937460000000 ]    - [  0.000000000000000,  2.963422950000000,  0.000000000000000 ]    - [ -0.142235340000000,  0.000000000000000,  2.481609912222222 ]  - # 2 (Si)    - [  2.710714018888889,  0.000000000000000,  0.133937460000000 ]    - [  0.000000000000000,  2.963422950000000,  0.000000000000000 ]    - [  0.142235340000000,  0.000000000000000,  2.481609912222222 ]  - # 3 (Si)    - [  2.710714018888889,  0.000000000000000, -0.133937460000000 ]    - [  0.000000000000000,  2.963422950000000,  0.000000000000000 ]    - [ -0.142235340000000,  0.000000000000000,  2.481609912222222 ]  - # 4 (Si)    - [  2.710714018888889,  0.000000000000000,  0.133937460000000 ]    - [  0.000000000000000,  2.963422950000000,  0.000000000000000 ]    - [  0.142235340000000,  0.000000000000000,  2.481609912222222 ]  - # 5 (S)    - [ -2.642944671111111,  0.000000000000000,  0.025010590000000 ]    - [  0.000000000000000, -2.670602639999999,  0.000000000000000 ]    - [  0.245711330000000,  0.000000000000000, -2.567148337777778 ]  - # 6 (S)    - [ -2.642944671111111,  0.000000000000000, -0.025010590000000 ]    - [  0.000000000000000, -2.670602639999999,  0.000000000000000 ]    - [ -0.245711330000000,  0.000000000000000, -2.567148337777778 ]  - # 7 (S)    - [ -2.642944671111111,  0.000000000000000,  0.025010590000000 ]    - [  0.000000000000000, -2.670602639999999,  0.000000000000000 ]    - [  0.245711330000000,  0.000000000000000, -2.567148337777778 ]  - # 8 (S)    - [ -2.642944671111111,  0.000000000000000, -0.025010590000000 ]    - [  0.000000000000000, -2.670602639999999,  0.000000000000000 ]    - [ -0.245711330000000,  0.000000000000000, -2.567148337777778 ]  - # 9 (S)    - [ -1.758818101111111,  0.000000000000000, -0.327681980000000 ]    - [  0.000000000000000, -1.803358970000000,  0.000000000000000 ]    - [ -0.367346660000000,  0.000000000000000, -2.288059707777778 ]  - # 10 (S)    - [ -1.758818101111111,  0.000000000000000,  0.327681980000000 ]    - [  0.000000000000000, -1.803358970000000,  0.000000000000000 ]    - [  0.367346660000000,  0.000000000000000, -2.288059707777778 ]  - # 11 (S)    - [ -1.758818101111111,  0.000000000000000, -0.327681980000000 ]    - [  0.000000000000000, -1.803358970000000,  0.000000000000000 ]    - [ -0.367346660000000,  0.000000000000000, -2.288059707777778 ]  - # 12 (S)    - [ -1.758818101111111,  0.000000000000000,  0.327681980000000 ]    - [  0.000000000000000, -1.803358970000000,  0.000000000000000 ]    - [  0.367346660000000,  0.000000000000000, -2.288059707777778 ]  - # 13 (S)    - [ -2.595262761111111,  0.000000000000000,  0.119897200000000 ]    - [  0.000000000000000, -1.755596610000000,  0.000000000000000 ]    - [  0.117254420000000,  0.000000000000000, -1.811504007777778 ]  - # 14 (S)    - [ -2.595262761111111,  0.000000000000000, -0.119897200000000 ]    - [  0.000000000000000, -1.755596610000000,  0.000000000000000 ]    - [ -0.117254420000000,  0.000000000000000, -1.811504007777778 ]  - # 15 (S)    - [ -2.595262761111111,  0.000000000000000,  0.119897200000000 ]    - [  0.000000000000000, -1.755596610000000,  0.000000000000000 ]    - [  0.117254420000000,  0.000000000000000, -1.811504007777778 ]  - # 16 (S)    - [ -2.595262761111111,  0.000000000000000, -0.119897200000000 ]    - [  0.000000000000000, -1.755596610000000,  0.000000000000000 ]    - [ -0.117254420000000,  0.000000000000000, -1.811504007777778 ]  - # 17 (S)    - [ -1.736923981111111,  0.218194160000000,  0.073610990000000 ]    - [  0.249282790000000, -2.652100770000000, -0.492715430000000 ]    - [  0.056967240000000, -0.440861380000000, -1.882262457777778 ]  - # 18 (S)    - [ -1.736923981111111,  0.218194160000000, -0.073610990000000 ]    - [  0.249282790000000, -2.652100770000000,  0.492715430000000 ]    - [ -0.056967240000000,  0.440861380000000, -1.882262457777778 ]  - # 19 (S)    - [ -1.736923981111111, -0.218194160000000,  0.073610990000000 ]    - [ -0.249282790000000, -2.652100770000000,  0.492715430000000 ]    - [  0.056967240000000,  0.440861380000000, -1.882262457777778 ]  - # 20 (S)    - [ -1.736923981111111, -0.218194160000000, -0.073610990000000 ]    - [ -0.249282790000000, -2.652100770000000, -0.492715430000000 ]    - [ -0.056967240000000, -0.440861380000000, -1.882262457777778 ]  - # 21 (S)    - [ -1.736923981111111,  0.218194160000000,  0.073610990000000 ]    - [  0.249282790000000, -2.652100770000000, -0.492715430000000 ]    - [  0.056967240000000, -0.440861380000000, -1.882262457777778 ]  - # 22 (S)    - [ -1.736923981111111,  0.218194160000000, -0.073610990000000 ]    - [  0.249282790000000, -2.652100770000000,  0.492715430000000 ]    - [ -0.056967240000000,  0.440861380000000, -1.882262457777778 ]  - # 23 (S)    - [ -1.736923981111111, -0.218194160000000,  0.073610990000000 ]    - [ -0.249282790000000, -2.652100770000000,  0.492715430000000 ]    - [  0.056967240000000,  0.440861380000000, -1.882262457777778 ]  - # 24 (S)    - [ -1.736923981111111, -0.218194160000000, -0.073610990000000 ]    - [ -0.249282790000000, -2.652100770000000, -0.492715430000000 ]    - [ -0.056967240000000, -0.440861380000000, -1.882262457777778 ]  - # 25 (Ba)    - [  2.905045878888889,  0.000000000000000, -0.028155410000000 ]    - [  0.000000000000000,  2.681273550000000,  0.000000000000000 ]    - [  0.176776120000000,  0.000000000000000,  2.945247412222222 ]  - # 26 (Ba)    - [  2.905045878888889,  0.000000000000000,  0.028155410000000 ]    - [  0.000000000000000,  2.681273550000000,  0.000000000000000 ]    - [ -0.176776120000000,  0.000000000000000,  2.945247412222222 ]  - # 27 (Ba)    - [  2.905045878888889,  0.000000000000000, -0.028155410000000 ]    - [  0.000000000000000,  2.681273550000000,  0.000000000000000 ]    - [  0.176776120000000,  0.000000000000000,  2.945247412222222 ]  - # 28 (Ba)    - [  2.905045878888889,  0.000000000000000,  0.028155410000000 ]    - [  0.000000000000000,  2.681273550000000,  0.000000000000000 ]    - [ -0.176776120000000,  0.000000000000000,  2.945247412222222 ]  - # 29 (Ba)    - [  2.427556798888889,  0.150750950000000, -0.281777350000000 ]    - [  0.070797620000000,  2.944531630000000,  0.000747150000000 ]    - [ -0.203909530000000, -0.013351440000000,  2.502189822222222 ]  - # 30 (Ba)    - [  2.427556798888889,  0.150750950000000,  0.281777350000000 ]    - [  0.070797620000000,  2.944531630000000, -0.000747150000000 ]    - [  0.203909530000000,  0.013351440000000,  2.502189822222222 ]  - # 31 (Ba)    - [  2.427556798888889, -0.150750950000000, -0.281777350000000 ]    - [ -0.070797620000000,  2.944531630000000, -0.000747150000000 ]    - [ -0.203909530000000,  0.013351440000000,  2.502189822222222 ]  - # 32 (Ba)    - [  2.427556798888889, -0.150750950000000,  0.281777350000000 ]    - [ -0.070797620000000,  2.944531630000000,  0.000747150000000 ]    - [  0.203909530000000, -0.013351440000000,  2.502189822222222 ]  - # 33 (Ba)    - [  2.427556798888889,  0.150750950000000, -0.281777350000000 ]    - [  0.070797620000000,  2.944531630000000,  0.000747150000000 ]    - [ -0.203909530000000, -0.013351440000000,  2.502189822222222 ]  - # 34 (Ba)    - [  2.427556798888889,  0.150750950000000,  0.281777350000000 ]    - [  0.070797620000000,  2.944531630000000, -0.000747150000000 ]    - [  0.203909530000000,  0.013351440000000,  2.502189822222222 ]  - # 35 (Ba)    - [  2.427556798888889, -0.150750950000000, -0.281777350000000 ]    - [ -0.070797620000000,  2.944531630000000, -0.000747150000000 ]    - [ -0.203909530000000,  0.013351440000000,  2.502189822222222 ]  - # 36 (Ba)    - [  2.427556798888889, -0.150750950000000,  0.281777350000000 ]    - [ -0.070797620000000,  2.944531630000000,  0.000747150000000 ]    - [  0.203909530000000, -0.013351440000000,  2.502189822222222 ]  dielectric_constant:    - [  5.473216039999999,  0.000000000000000,  0.000000000000000 ]    - [  0.000000000000000,  5.525898759999999,  0.000000000000000 ]    - [  0.000000000000000,  0.000000000000000,  5.384748830000000 ]  unit_conversion_factor: 14.399652displacement_pairs:- atom:    1  displacement:    [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  displacement_id: 1  paired_with:  - atom:    1    pair_distance: 0.00000000    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 43, 44, 45, 46 ]  - atom:    2    pair_distance: 9.44991728    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 47, 48, 49, 50 ]  - atom:    3    pair_distance: 8.50225290    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 51, 52, 53, 54 ]  - atom:    4    pair_distance: 12.71177568    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 55, 56, 57, 58 ]  - atom:    5    pair_distance: 6.00463586    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 59, 60, 61, 62 ]  - atom:    6    pair_distance: 11.19627565    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 63, 64, 65, 66 ]  - atom:    7    pair_distance: 9.59235019    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 67, 68, 69, 70 ]  - atom:    8    pair_distance: 13.46529312    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 71, 72, 73, 74 ]  - atom:    9    pair_distance: 6.20789095    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 75, 76, 77, 78, 79, 80 ]  - atom:   11    pair_distance: 7.40733988    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 81, 82, 83, 84, 85, 86 ]  - atom:   13    pair_distance: 7.30809370    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 87, 88, 89, 90, 91, 92 ]  - atom:   15    pair_distance: 7.30809370    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 93, 94, 95, 96, 97, 98 ]  - atom:   17    pair_distance: 5.36540336    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 99, 100, 101, 102 ]  - atom:   18    pair_distance: 10.86685280    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 103, 104, 105, 106 ]  - atom:   19    pair_distance: 6.82125423    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 107, 108, 109, 110 ]  - atom:   20    pair_distance: 11.65463195    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 111, 112, 113, 114 ]  - atom:   21    pair_distance: 6.24421867    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 115, 116, 117, 118, 119, 120 ]  - atom:   23    pair_distance: 9.67143294    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 121, 122, 123, 124, 125, 126 ]  - atom:   25    pair_distance: 5.12396883    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 127, 128, 129, 130, 131, 132 ]  - atom:   27    pair_distance: 9.85556588    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 133, 134, 135, 136, 137, 138 ]  - atom:   29    pair_distance: 4.62923477    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 139, 140, 141, 142 ]  - atom:   30    pair_distance: 10.52286801    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 143, 144, 145, 146 ]  - atom:   31    pair_distance: 4.47421864    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 147, 148, 149, 150 ]  - atom:   32    pair_distance: 10.45559989    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 151, 152, 153, 154 ]  - atom:   33    pair_distance: 7.50092206    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 155, 156, 157, 158 ]  - atom:   34    pair_distance: 12.06502252    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 159, 160, 161, 162 ]  - atom:   35    pair_distance: 5.55201215    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 163, 164, 165, 166 ]  - atom:   36    pair_distance: 10.96019049    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 167, 168, 169, 170 ]  - atom:   37    pair_distance: 5.10244615    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 171, 172, 173, 174, 175, 176 ]  - atom:   39    pair_distance: 8.53722837    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 177, 178, 179, 180, 181, 182 ]  - atom:   41    pair_distance: 7.11216841    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 183, 184, 185, 186, 187, 188 ]  - atom:   43    pair_distance: 9.00563584    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 189, 190, 191, 192, 193, 194 ]  - atom:   45    pair_distance: 2.10875469    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 195, 196, 197, 198 ]  - atom:   46    pair_distance: 9.68234388    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 199, 200, 201, 202 ]  - atom:   47    pair_distance: 6.79828017    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 203, 204, 205, 206 ]  - atom:   48    pair_distance: 11.64120053    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 207, 208, 209, 210 ]  - atom:   49    pair_distance: 4.04679554    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 211, 212, 213, 214 ]  - atom:   50    pair_distance: 10.27995578    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 215, 216, 217, 218 ]  - atom:   51    pair_distance: 8.13736368    displacements:    - [  0.0053136094781452,  0.0084714552654054,  0.0000000000000000 ]    - [ -0.0053136094781452, -0.0084714552654054,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - 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atom:  137    pair_distance: 4.36190669    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 28443, 28444, 28445, 28446, 28447, 28448 ]  - atom:  138    pair_distance: 5.08801059    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 28449, 28450, 28451, 28452, 28453, 28454 ]  - atom:  139    pair_distance: 9.55586387    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 28455, 28456, 28457, 28458, 28459, 28460 ]  - atom:  140    pair_distance: 9.90838817    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 28461, 28462, 28463, 28464, 28465, 28466 ]  - atom:  141    pair_distance: 6.55911884    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 28467, 28468, 28469, 28470, 28471, 28472 ]  - atom:  142    pair_distance: 6.55911884    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 28473, 28474, 28475, 28476, 28477, 28478 ]  - atom:  143    pair_distance: 6.55911884    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 28479, 28480, 28481, 28482, 28483, 28484 ]  - atom:  144    pair_distance: 6.55911884    displacements:    - [  0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [ -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]    - [  0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]    - [  0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]    displacement_ids: [ 28485, 28486, 28487, 28488, 28489, 28490 ]displacement_pair_info:  number_of_singles: 42  number_of_pairs: 28448  duplicated_supercell_ids: # 0 means perfect supercell  - [ 4605, 1085 ]  - [ 5469, 1086 ]  - [ 4606, 1949 ]  - [ 5470, 1950 ]  - [ 6333, 2773 ]  - [ 6805, 2774 ]  - [ 6334, 3245 ]  - [ 6806, 3246 ]  - [ 8221, 1181 ]  - [ 9085, 1182 ]  - [ 8222, 2045 ]  - [ 9086, 2046 ]  - [ 9949, 2829 ]  - [ 10421, 2830 ]  - [ 9950, 3301 ]  - [ 10422, 3302 ]  - [ 11837, 1277 ]  - [ 12701, 1278 ]  - [ 11838, 2141 ]  - [ 12702, 2142 ]  - [ 13565, 2885 ]  - [ 14037, 2886 ]  - [ 13566, 3357 ]  - [ 14038, 3358 ]  - [ 14507, 267 ]  - [ 15371, 268 ]  - [ 16235, 269 ]  - [ 17099, 270 ]  - [ 17963, 271 ]  - [ 18827, 272 ]  - [ 14508, 739 ]  - [ 15372, 740 ]  - [ 16236, 741 ]  - [ 17100, 742 ]  - [ 17964, 743 ]  - [ 18828, 744 ]  - [ 14509, 1371 ]  - [ 15373, 1372 ]  - [ 16237, 1373 ]  - [ 17101, 1374 ]  - [ 17965, 1375 ]  - [ 18829, 1376 ]  - [ 14510, 2235 ]  - [ 15374, 2236 ]  - [ 16238, 2237 ]  - [ 17102, 2238 ]  - [ 17966, 2239 ]  - [ 18830, 2240 ]  - [ 14511, 2939 ]  - [ 15375, 2940 ]  - [ 16239, 2941 ]  - [ 17103, 2942 ]  - [ 17967, 2943 ]  - [ 18831, 2944 ]  - [ 14512, 3411 ]  - [ 15376, 3412 ]  - [ 16240, 3413 ]  - [ 17104, 3414 ]  - [ 17968, 3415 ]  - [ 18832, 3416 ]  - [ 20637, 1565 ]  - [ 21501, 1566 ]  - [ 20638, 2429 ]  - [ 21502, 2430 ]  - [ 22365, 3037 ]  - [ 22837, 3038 ]  - [ 22366, 3509 ]  - [ 22838, 3510 ]  - [ 23307, 419 ]  - [ 24171, 420 ]  - [ 25035, 421 ]  - [ 25899, 422 ]  - [ 26763, 423 ]  - [ 27627, 424 ]  - [ 23308, 891 ]  - [ 24172, 892 ]  - [ 25036, 893 ]  - [ 25900, 894 ]  - [ 26764, 895 ]  - [ 27628, 896 ]  - [ 23309, 1659 ]  - [ 24173, 1660 ]  - [ 25037, 1661 ]  - [ 25901, 1662 ]  - [ 26765, 1663 ]  - [ 27629, 1664 ]  - [ 23310, 2523 ]  - [ 24174, 2524 ]  - [ 25038, 2525 ]  - [ 25902, 2526 ]  - [ 26766, 2527 ]  - [ 27630, 2528 ]  - [ 23311, 3091 ]  - [ 24175, 3092 ]  - [ 25039, 3093 ]  - [ 25903, 3094 ]  - [ 26767, 3095 ]  - [ 27631, 3096 ]  - [ 23312, 3563 ]  - [ 24176, 3564 ]  - [ 25040, 3565 ]  - [ 25904, 3566 ]  - [ 26768, 3567 ]  - [ 27632, 3568 ]  - [ 8317, 4797 ]  - [ 9181, 4798 ]  - [ 8318, 5661 ]  - [ 9182, 5662 ]  - [ 10005, 6445 ]  - [ 10477, 6446 ]  - [ 10006, 6917 ]  - [ 10478, 6918 ]  - [ 11933, 4893 ]  - [ 12797, 4894 ]  - [ 11934, 5757 ]  - [ 12798, 5758 ]  - [ 13621, 6501 ]  - [ 14093, 6502 ]  - [ 13622, 6973 ]  - [ 14094, 6974 ]  - [ 14603, 3883 ]  - [ 15467, 3884 ]  - [ 16331, 3885 ]  - [ 17195, 3886 ]  - [ 18059, 3887 ]  - [ 18923, 3888 ]  - [ 14604, 4355 ]  - [ 15468, 4356 ]  - [ 16332, 4357 ]  - [ 17196, 4358 ]  - [ 18060, 4359 ]  - [ 18924, 4360 ]  - [ 14605, 4987 ]  - [ 15469, 4988 ]  - [ 16333, 4989 ]  - [ 17197, 4990 ]  - [ 18061, 4991 ]  - [ 18925, 4992 ]  - [ 14606, 5851 ]  - [ 15470, 5852 ]  - [ 16334, 5853 ]  - [ 17198, 5854 ]  - [ 18062, 5855 ]  - [ 18926, 5856 ]  - [ 14607, 6555 ]  - [ 15471, 6556 ]  - [ 16335, 6557 ]  - [ 17199, 6558 ]  - [ 18063, 6559 ]  - [ 18927, 6560 ]  - [ 14608, 7027 ]  - [ 15472, 7028 ]  - [ 16336, 7029 ]  - [ 17200, 7030 ]  - [ 18064, 7031 ]  - [ 18928, 7032 ]  - [ 20733, 5181 ]  - [ 21597, 5182 ]  - [ 20734, 6045 ]  - [ 21598, 6046 ]  - [ 22421, 6653 ]  - [ 22893, 6654 ]  - [ 22422, 7125 ]  - [ 22894, 7126 ]  - [ 23403, 4035 ]  - [ 24267, 4036 ]  - [ 25131, 4037 ]  - [ 25995, 4038 ]  - [ 26859, 4039 ]  - [ 27723, 4040 ]  - [ 23404, 4507 ]  - [ 24268, 4508 ]  - [ 25132, 4509 ]  - [ 25996, 4510 ]  - [ 26860, 4511 ]  - [ 27724, 4512 ]  - [ 23405, 5275 ]  - [ 24269, 5276 ]  - [ 25133, 5277 ]  - [ 25997, 5278 ]  - [ 26861, 5279 ]  - [ 27725, 5280 ]  - [ 23406, 6139 ]  - [ 24270, 6140 ]  - [ 25134, 6141 ]  - [ 25998, 6142 ]  - [ 26862, 6143 ]  - [ 27726, 6144 ]  - [ 23407, 6707 ]  - [ 24271, 6708 ]  - [ 25135, 6709 ]  - [ 25999, 6710 ]  - [ 26863, 6711 ]  - [ 27727, 6712 ]  - [ 23408, 7179 ]  - [ 24272, 7180 ]  - [ 25136, 7181 ]  - [ 26000, 7182 ]  - [ 26864, 7183 ]  - [ 27728, 7184 ]  - [ 12029, 8509 ]  - [ 12893, 8510 ]  - [ 12030, 9373 ]  - [ 12894, 9374 ]  - [ 13677, 10117 ]  - [ 14149, 10118 ]  - [ 13678, 10589 ]  - [ 14150, 10590 ]  - [ 14699, 7499 ]  - [ 15563, 7500 ]  - [ 16427, 7501 ]  - [ 17291, 7502 ]  - [ 18155, 7503 ]  - [ 19019, 7504 ]  - [ 14700, 7971 ]  - [ 15564, 7972 ]  - [ 16428, 7973 ]  - [ 17292, 7974 ]  - [ 18156, 7975 ]  - [ 19020, 7976 ]  - [ 14701, 8603 ]  - [ 15565, 8604 ]  - [ 16429, 8605 ]  - [ 17293, 8606 ]  - [ 18157, 8607 ]  - [ 19021, 8608 ]  - [ 14702, 9467 ]  - [ 15566, 9468 ]  - [ 16430, 9469 ]  - [ 17294, 9470 ]  - [ 18158, 9471 ]  - [ 19022, 9472 ]  - [ 14703, 10171 ]  - [ 15567, 10172 ]  - [ 16431, 10173 ]  - [ 17295, 10174 ]  - [ 18159, 10175 ]  - [ 19023, 10176 ]  - [ 14704, 10643 ]  - [ 15568, 10644 ]  - [ 16432, 10645 ]  - [ 17296, 10646 ]  - [ 18160, 10647 ]  - [ 19024, 10648 ]  - [ 20829, 8797 ]  - [ 21693, 8798 ]  - [ 20830, 9661 ]  - [ 21694, 9662 ]  - [ 22477, 10269 ]  - [ 22949, 10270 ]  - [ 22478, 10741 ]  - [ 22950, 10742 ]  - [ 23499, 7651 ]  - [ 24363, 7652 ]  - [ 25227, 7653 ]  - [ 26091, 7654 ]  - [ 26955, 7655 ]  - [ 27819, 7656 ]  - [ 23500, 8123 ]  - [ 24364, 8124 ]  - [ 25228, 8125 ]  - [ 26092, 8126 ]  - [ 26956, 8127 ]  - [ 27820, 8128 ]  - [ 23501, 8891 ]  - [ 24365, 8892 ]  - [ 25229, 8893 ]  - [ 26093, 8894 ]  - [ 26957, 8895 ]  - [ 27821, 8896 ]  - [ 23502, 9755 ]  - [ 24366, 9756 ]  - [ 25230, 9757 ]  - [ 26094, 9758 ]  - [ 26958, 9759 ]  - [ 27822, 9760 ]  - [ 23503, 10323 ]  - [ 24367, 10324 ]  - [ 25231, 10325 ]  - [ 26095, 10326 ]  - [ 26959, 10327 ]  - [ 27823, 10328 ]  - [ 23504, 10795 ]  - [ 24368, 10796 ]  - [ 25232, 10797 ]  - [ 26096, 10798 ]  - [ 26960, 10799 ]  - [ 27824, 10800 ]  - [ 14795, 11115 ]  - [ 15659, 11116 ]  - [ 16523, 11117 ]  - [ 17387, 11118 ]  - [ 18251, 11119 ]  - [ 19115, 11120 ]  - [ 14796, 11587 ]  - [ 15660, 11588 ]  - [ 16524, 11589 ]  - [ 17388, 11590 ]  - [ 18252, 11591 ]  - [ 19116, 11592 ]  - [ 14797, 12219 ]  - [ 15661, 12220 ]  - [ 16525, 12221 ]  - [ 17389, 12222 ]  - [ 18253, 12223 ]  - [ 19117, 12224 ]  - [ 14798, 13083 ]  - [ 15662, 13084 ]  - [ 16526, 13085 ]  - [ 17390, 13086 ]  - [ 18254, 13087 ]  - [ 19118, 13088 ]  - [ 14799, 13787 ]  - [ 15663, 13788 ]  - [ 16527, 13789 ]  - [ 17391, 13790 ]  - [ 18255, 13791 ]  - [ 19119, 13792 ]  - [ 14800, 14259 ]  - [ 15664, 14260 ]  - [ 16528, 14261 ]  - [ 17392, 14262 ]  - [ 18256, 14263 ]  - [ 19120, 14264 ]  - [ 20925, 12413 ]  - [ 21789, 12414 ]  - [ 20926, 13277 ]  - [ 21790, 13278 ]  - [ 22533, 13885 ]  - [ 23005, 13886 ]  - [ 22534, 14357 ]  - [ 23006, 14358 ]  - [ 23595, 11267 ]  - [ 24459, 11268 ]  - [ 25323, 11269 ]  - [ 26187, 11270 ]  - [ 27051, 11271 ]  - [ 27915, 11272 ]  - [ 23596, 11739 ]  - [ 24460, 11740 ]  - [ 25324, 11741 ]  - [ 26188, 11742 ]  - [ 27052, 11743 ]  - [ 27916, 11744 ]  - [ 23597, 12507 ]  - [ 24461, 12508 ]  - [ 25325, 12509 ]  - [ 26189, 12510 ]  - [ 27053, 12511 ]  - [ 27917, 12512 ]  - [ 23598, 13371 ]  - [ 24462, 13372 ]  - [ 25326, 13373 ]  - [ 26190, 13374 ]  - [ 27054, 13375 ]  - [ 27918, 13376 ]  - [ 23599, 13939 ]  - [ 24463, 13940 ]  - [ 25327, 13941 ]  - [ 26191, 13942 ]  - [ 27055, 13943 ]  - [ 27919, 13944 ]  - [ 23600, 14411 ]  - [ 24464, 14412 ]  - [ 25328, 14413 ]  - [ 26192, 14414 ]  - [ 27056, 14415 ]  - [ 27920, 14416 ]  - [ 19915, 15083 ]  - [ 20387, 15084 ]  - [ 21019, 15085 ]  - [ 21883, 15086 ]  - [ 22587, 15087 ]  - [ 23059, 15088 ]  - [ 19916, 15947 ]  - [ 20388, 15948 ]  - [ 21020, 15949 ]  - [ 21884, 15950 ]  - [ 22588, 15951 ]  - [ 23060, 15952 ]  - [ 19917, 16811 ]  - [ 20389, 16812 ]  - [ 21021, 16813 ]  - [ 21885, 16814 ]  - [ 22589, 16815 ]  - [ 23061, 16816 ]  - [ 19918, 17675 ]  - [ 20390, 17676 ]  - [ 21022, 17677 ]  - [ 21886, 17678 ]  - [ 22590, 17679 ]  - [ 23062, 17680 ]  - [ 19919, 18539 ]  - [ 20391, 18540 ]  - [ 21023, 18541 ]  - [ 21887, 18542 ]  - [ 22591, 18543 ]  - [ 23063, 18544 ]  - [ 19920, 19403 ]  - [ 20392, 19404 ]  - [ 21024, 19405 ]  - [ 21888, 19406 ]  - [ 22592, 19407 ]  - [ 23064, 19408 ]  - [ 23691, 15179 ]  - [ 24555, 15180 ]  - [ 25419, 15181 ]  - [ 26283, 15182 ]  - [ 27147, 15183 ]  - [ 28011, 15184 ]  - [ 23692, 16043 ]  - [ 24556, 16044 ]  - [ 25420, 16045 ]  - [ 26284, 16046 ]  - [ 27148, 16047 ]  - [ 28012, 16048 ]  - [ 23693, 16907 ]  - [ 24557, 16908 ]  - [ 25421, 16909 ]  - [ 26285, 16910 ]  - [ 27149, 16911 ]  - [ 28013, 16912 ]  - [ 23694, 17771 ]  - [ 24558, 17772 ]  - [ 25422, 17773 ]  - [ 26286, 17774 ]  - [ 27150, 17775 ]  - [ 28014, 17776 ]  - [ 23695, 18635 ]  - [ 24559, 18636 ]  - [ 25423, 18637 ]  - [ 26287, 18638 ]  - [ 27151, 18639 ]  - [ 28015, 18640 ]  - [ 23696, 19499 ]  - [ 24560, 19500 ]  - [ 25424, 19501 ]  - [ 26288, 19502 ]  - [ 27152, 19503 ]  - [ 28016, 19504 ]  - [ 23883, 20067 ]  - [ 24747, 20068 ]  - [ 25611, 20069 ]  - [ 26475, 20070 ]  - [ 27339, 20071 ]  - [ 28203, 20072 ]  - [ 23884, 20539 ]  - [ 24748, 20540 ]  - [ 25612, 20541 ]  - [ 26476, 20542 ]  - [ 27340, 20543 ]  - [ 28204, 20544 ]  - [ 23885, 21307 ]  - [ 24749, 21308 ]  - [ 25613, 21309 ]  - [ 26477, 21310 ]  - [ 27341, 21311 ]  - [ 28205, 21312 ]  - [ 23886, 22171 ]  - [ 24750, 22172 ]  - [ 25614, 22173 ]  - [ 26478, 22174 ]  - [ 27342, 22175 ]  - [ 28206, 22176 ]  - [ 23887, 22739 ]  - [ 24751, 22740 ]  - [ 25615, 22741 ]  - [ 26479, 22742 ]  - [ 27343, 22743 ]  - [ 28207, 22744 ]  - [ 23888, 23211 ]  - [ 24752, 23212 ]  - [ 25616, 23213 ]  - [ 26480, 23214 ]  - [ 27344, 23215 ]  - [ 28208, 23216 ]  - [ 1854, 0 ]  - [ 990, 0 ]  - [ 1853, 0 ]  - [ 989, 0 ]  - [ 3190, 0 ]  - [ 2718, 0 ]  - [ 3189, 0 ]  - [ 2717, 0 ]  - [ 5566, 0 ]  - [ 4702, 0 ]  - [ 5565, 0 ]  - [ 4701, 0 ]  - [ 6862, 0 ]  - [ 6390, 0 ]  - [ 6861, 0 ]  - [ 6389, 0 ]  - [ 9278, 0 ]  - [ 8414, 0 ]  - [ 9277, 0 ]  - [ 8413, 0 ]  - [ 10534, 0 ]  - [ 10062, 0 ]  - [ 10533, 0 ]  - [ 10061, 0 ]  - [ 12990, 0 ]  - [ 12126, 0 ]  - [ 12989, 0 ]  - [ 12125, 0 ]  - [ 14206, 0 ]  - [ 13734, 0 ]  - [ 14205, 0 ]  - [ 13733, 0 ]  - [ 15756, 0 ]  - [ 14892, 0 ]  - [ 17484, 0 ]  - [ 16620, 0 ]  - [ 19212, 0 ]  - [ 18348, 0 ]  - [ 15755, 0 ]  - [ 14891, 0 ]  - [ 17483, 0 ]  - [ 16619, 0 ]  - [ 19211, 0 ]  - [ 18347, 0 ]  - [ 15758, 0 ]  - [ 14894, 0 ]  - [ 17486, 0 ]  - [ 16622, 0 ]  - [ 19214, 0 ]  - [ 18350, 0 ]  - [ 15757, 0 ]  - [ 14893, 0 ]  - [ 17485, 0 ]  - [ 16621, 0 ]  - [ 19213, 0 ]  - [ 18349, 0 ]  - [ 15760, 0 ]  - [ 14896, 0 ]  - [ 17488, 0 ]  - [ 16624, 0 ]  - [ 19216, 0 ]  - [ 18352, 0 ]  - [ 15759, 0 ]  - [ 14895, 0 ]  - [ 17487, 0 ]  - [ 16623, 0 ]  - [ 19215, 0 ]  - [ 18351, 0 ]  - [ 22078, 0 ]  - [ 21214, 0 ]  - [ 22077, 0 ]  - [ 21213, 0 ]  - [ 23158, 0 ]  - [ 22686, 0 ]  - [ 23157, 0 ]  - [ 22685, 0 ]  - [ 24844, 0 ]  - [ 23980, 0 ]  - [ 26572, 0 ]  - [ 25708, 0 ]  - [ 28300, 0 ]  - [ 27436, 0 ]  - [ 24843, 0 ]  - [ 23979, 0 ]  - [ 26571, 0 ]  - [ 25707, 0 ]  - [ 28299, 0 ]  - [ 27435, 0 ]  - [ 24846, 0 ]  - [ 23982, 0 ]  - [ 26574, 0 ]  - [ 25710, 0 ]  - [ 28302, 0 ]  - [ 27438, 0 ]  - [ 24845, 0 ]  - [ 23981, 0 ]  - [ 26573, 0 ]  - [ 25709, 0 ]  - [ 28301, 0 ]  - [ 27437, 0 ]  - [ 24848, 0 ]  - [ 23984, 0 ]  - [ 26576, 0 ]  - [ 25712, 0 ]  - [ 28304, 0 ]  - [ 27440, 0 ]  - [ 24847, 0 ]  - [ 23983, 0 ]  - [ 26575, 0 ]  - [ 25711, 0 ]  - [ 28303, 0 ]  - [ 27439, 0 ]