# Fileset

[phonopy_mlp_eval_fc2_dataset.yaml.xz](https://mdr.nims.go.jp/filesets/2dba7024-be18-4f01-bdc8-4c348bdf74cc/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 ErCo(CN)6 / P6_3/mmc (194) / materials id 6185](https://mdr.nims.go.jp/datasets/deb494ec-9623-49ed-b707-9117afd4c41a)

## Fulltext

phonopy:  version: "2.44.0"  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05space_group:  type: "P6_3/mmc"  number: 194  Hall_symbol: "-P 6c 2c"primitive_matrix:- [  1.000000000000000,  0.000000000000000,  0.000000000000000 ]- [  0.000000000000000,  1.000000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     7.326621980603861,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.663310990301930,     6.345040759128402,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.868071609999999 ] # c  points:  - symbol: C # 1    coordinates: [  0.118096112757037,  0.881903887242963,  0.416655113317438 ]    mass: 12.010700  - symbol: C # 2    coordinates: [  0.763807774485927,  0.881903887242963,  0.416655113317438 ]    mass: 12.010700  - symbol: C # 3    coordinates: [  0.118096112757037,  0.236192225514073,  0.416655113317438 ]    mass: 12.010700  - symbol: C # 4    coordinates: [  0.881903887242963,  0.763807774485927,  0.916655113317438 ]    mass: 12.010700  - symbol: C # 5    coordinates: [  0.763807774485927,  0.881903887242963,  0.083344886682562 ]    mass: 12.010700  - symbol: C # 6    coordinates: [  0.881903887242963,  0.763807774485927,  0.583344886682562 ]    mass: 12.010700  - symbol: C # 7    coordinates: [  0.881903887242963,  0.118096112757037,  0.583344886682562 ]    mass: 12.010700  - symbol: C # 8    coordinates: [  0.118096112757037,  0.881903887242963,  0.083344886682562 ]    mass: 12.010700  - symbol: C # 9    coordinates: [  0.118096112757037,  0.236192225514073,  0.083344886682562 ]    mass: 12.010700  - symbol: C # 10    coordinates: [  0.881903887242963,  0.118096112757037,  0.916655113317438 ]    mass: 12.010700  - symbol: C # 11    coordinates: [  0.236192225514073,  0.118096112757037,  0.916655113317438 ]    mass: 12.010700  - symbol: C # 12    coordinates: [  0.236192225514073,  0.118096112757037,  0.583344886682562 ]    mass: 12.010700  - symbol: N # 13    coordinates: [  0.807833740313570,  0.615667480627138,  0.862582825433800 ]    mass: 14.006700  - symbol: N # 14    coordinates: [  0.192166259686430,  0.384332519372862,  0.362582825433800 ]    mass: 14.006700  - symbol: N # 15    coordinates: [  0.615667480627138,  0.807833740313570,  0.362582825433800 ]    mass: 14.006700  - symbol: N # 16    coordinates: [  0.192166259686430,  0.807833740313570,  0.362582825433800 ]    mass: 14.006700  - symbol: N # 17    coordinates: [  0.615667480627138,  0.807833740313570,  0.137417174566200 ]    mass: 14.006700  - symbol: N # 18    coordinates: [  0.807833740313570,  0.615667480627138,  0.637417174566200 ]    mass: 14.006700  - symbol: N # 19    coordinates: [  0.807833740313570,  0.192166259686430,  0.637417174566200 ]    mass: 14.006700  - symbol: N # 20    coordinates: [  0.192166259686430,  0.807833740313570,  0.137417174566200 ]    mass: 14.006700  - symbol: N # 21    coordinates: [  0.192166259686430,  0.384332519372862,  0.137417174566200 ]    mass: 14.006700  - symbol: N # 22    coordinates: [  0.807833740313570,  0.192166259686430,  0.862582825433800 ]    mass: 14.006700  - symbol: N # 23    coordinates: [  0.384332519372862,  0.192166259686430,  0.862582825433800 ]    mass: 14.006700  - symbol: N # 24    coordinates: [  0.384332519372862,  0.192166259686430,  0.637417174566200 ]    mass: 14.006700  - symbol: Co # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 58.933195  - symbol: Co # 26    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 58.933195  - symbol: Er # 27    coordinates: [  0.666666666666667,  0.333333333333333,  0.750000000000000 ]    mass: 167.259000  - symbol: Er # 28    coordinates: [  0.333333333333333,  0.666666666666667,  0.250000000000000 ]    mass: 167.259000  reciprocal_lattice: # without 2pi  - [     0.136488548562673,     0.078801700253961,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.157603400507922,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.077711721717719 ] # c*unit_cell:  lattice:  - [     7.326621980603861,     0.000000000000000,     0.000000000000000 ] # a  - [    -3.663310990301930,     6.345040759128402,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.868071609999999 ] # c  points:  - symbol: C # 1    coordinates: [  0.118096112757037,  0.881903887242963,  0.416655113317438 ]    mass: 12.010700    reduced_to: 1  - symbol: C # 2    coordinates: [  0.763807774485927,  0.881903887242963,  0.416655113317438 ]    mass: 12.010700    reduced_to: 2  - symbol: C # 3    coordinates: [  0.118096112757037,  0.236192225514073,  0.416655113317438 ]    mass: 12.010700    reduced_to: 3  - symbol: C # 4    coordinates: [  0.881903887242963,  0.763807774485927,  0.916655113317438 ]    mass: 12.010700    reduced_to: 4  - symbol: C # 5    coordinates: [  0.763807774485927,  0.881903887242963,  0.083344886682562 ]    mass: 12.010700    reduced_to: 5  - symbol: C # 6    coordinates: [  0.881903887242963,  0.763807774485927,  0.583344886682562 ]    mass: 12.010700    reduced_to: 6  - symbol: C # 7    coordinates: [  0.881903887242963,  0.118096112757037,  0.583344886682562 ]    mass: 12.010700    reduced_to: 7  - symbol: C # 8    coordinates: [  0.118096112757037,  0.881903887242963,  0.083344886682562 ]    mass: 12.010700    reduced_to: 8  - symbol: C # 9    coordinates: [  0.118096112757037,  0.236192225514073,  0.083344886682562 ]    mass: 12.010700    reduced_to: 9  - symbol: C # 10    coordinates: [  0.881903887242963,  0.118096112757037,  0.916655113317438 ]    mass: 12.010700    reduced_to: 10  - symbol: C # 11    coordinates: [  0.236192225514073,  0.118096112757037,  0.916655113317438 ]    mass: 12.010700    reduced_to: 11  - symbol: C # 12    coordinates: [  0.236192225514073,  0.118096112757037,  0.583344886682562 ]    mass: 12.010700    reduced_to: 12  - symbol: N # 13    coordinates: [  0.807833740313570,  0.615667480627138,  0.862582825433800 ]    mass: 14.006700    reduced_to: 13  - symbol: N # 14    coordinates: [  0.192166259686430,  0.384332519372862,  0.362582825433800 ]    mass: 14.006700    reduced_to: 14  - symbol: N # 15    coordinates: [  0.615667480627138,  0.807833740313570,  0.362582825433800 ]    mass: 14.006700    reduced_to: 15  - symbol: N # 16    coordinates: [  0.192166259686430,  0.807833740313570,  0.362582825433800 ]    mass: 14.006700    reduced_to: 16  - symbol: N # 17    coordinates: [  0.615667480627138,  0.807833740313570,  0.137417174566200 ]    mass: 14.006700    reduced_to: 17  - symbol: N # 18    coordinates: [  0.807833740313570,  0.615667480627138,  0.637417174566200 ]    mass: 14.006700    reduced_to: 18  - symbol: N # 19    coordinates: [  0.807833740313570,  0.192166259686430,  0.637417174566200 ]    mass: 14.006700    reduced_to: 19  - symbol: N # 20    coordinates: [  0.192166259686430,  0.807833740313570,  0.137417174566200 ]    mass: 14.006700    reduced_to: 20  - symbol: N # 21    coordinates: [  0.192166259686430,  0.384332519372862,  0.137417174566200 ]    mass: 14.006700    reduced_to: 21  - symbol: N # 22    coordinates: [  0.807833740313570,  0.192166259686430,  0.862582825433800 ]    mass: 14.006700    reduced_to: 22  - symbol: N # 23    coordinates: [  0.384332519372862,  0.192166259686430,  0.862582825433800 ]    mass: 14.006700    reduced_to: 23  - symbol: N # 24    coordinates: [  0.384332519372862,  0.192166259686430,  0.637417174566200 ]    mass: 14.006700    reduced_to: 24  - symbol: Co # 25    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 58.933195    reduced_to: 25  - symbol: Co # 26    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 58.933195    reduced_to: 26  - symbol: Er # 27    coordinates: [  0.666666666666667,  0.333333333333333,  0.750000000000000 ]    mass: 167.259000    reduced_to: 27  - symbol: Er # 28    coordinates: [  0.333333333333333,  0.666666666666667,  0.250000000000000 ]    mass: 167.259000    reduced_to: 28supercell:  lattice:  - [    14.653243961207721,     0.000000000000000,     0.000000000000000 ] # a  - [    -7.326621980603860,    12.690081518256804,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.868071609999999 ] # c  points:  - symbol: C # 1    coordinates: [  0.059048056378519,  0.440951943621481,  0.416655113317438 ]    mass: 12.010700    reduced_to: 1  - symbol: C # 2    coordinates: [  0.559048056378519,  0.440951943621481,  0.416655113317438 ]    mass: 12.010700    reduced_to: 1  - symbol: C # 3    coordinates: [  0.059048056378519,  0.940951943621481,  0.416655113317438 ]    mass: 12.010700    reduced_to: 1  - symbol: C # 4    coordinates: [  0.559048056378519,  0.940951943621481,  0.416655113317438 ]    mass: 12.010700    reduced_to: 1  - symbol: C # 5    coordinates: [  0.381903887242963,  0.440951943621481,  0.416655113317438 ]    mass: 12.010700    reduced_to: 5  - symbol: C # 6    coordinates: [  0.881903887242963,  0.440951943621481,  0.416655113317438 ]    mass: 12.010700    reduced_to: 5  - symbol: C # 7    coordinates: [  0.381903887242963,  0.940951943621481,  0.416655113317438 ]    mass: 12.010700    reduced_to: 5  - symbol: C # 8    coordinates: [  0.881903887242963,  0.940951943621481,  0.416655113317438 ]    mass: 12.010700    reduced_to: 5  - symbol: C # 9    coordinates: [  0.059048056378519,  0.118096112757037,  0.416655113317438 ]    mass: 12.010700    reduced_to: 9  - symbol: C # 10    coordinates: [  0.559048056378519,  0.118096112757037,  0.416655113317438 ]    mass: 12.010700    reduced_to: 9  - symbol: C # 11    coordinates: [  0.059048056378519,  0.618096112757036,  0.416655113317438 ]    mass: 12.010700    reduced_to: 9  - symbol: C # 12    coordinates: [  0.559048056378519,  0.618096112757036,  0.416655113317438 ]    mass: 12.010700    reduced_to: 9  - symbol: C # 13    coordinates: [  0.440951943621481,  0.381903887242963,  0.916655113317438 ]    mass: 12.010700    reduced_to: 13  - symbol: C # 14    coordinates: [  0.940951943621481,  0.381903887242963,  0.916655113317438 ]    mass: 12.010700    reduced_to: 13  - symbol: C # 15    coordinates: [  0.440951943621481,  0.881903887242963,  0.916655113317438 ]    mass: 12.010700    reduced_to: 13  - symbol: C # 16    coordinates: [  0.940951943621481,  0.881903887242963,  0.916655113317438 ]    mass: 12.010700    reduced_to: 13  - symbol: C # 17    coordinates: [  0.381903887242963,  0.440951943621481,  0.083344886682562 ]    mass: 12.010700    reduced_to: 17  - symbol: C # 18    coordinates: [  0.881903887242963,  0.440951943621481,  0.083344886682562 ]    mass: 12.010700    reduced_to: 17  - symbol: C # 19    coordinates: [  0.381903887242963,  0.940951943621481,  0.083344886682562 ]    mass: 12.010700    reduced_to: 17  - symbol: C # 20    coordinates: [  0.881903887242963,  0.940951943621481,  0.083344886682562 ]    mass: 12.010700    reduced_to: 17  - symbol: C # 21    coordinates: [  0.440951943621481,  0.381903887242963,  0.583344886682562 ]    mass: 12.010700    reduced_to: 21  - symbol: C # 22    coordinates: [  0.940951943621481,  0.381903887242963,  0.583344886682562 ]    mass: 12.010700    reduced_to: 21  - symbol: C # 23    coordinates: [  0.440951943621481,  0.881903887242963,  0.583344886682562 ]    mass: 12.010700    reduced_to: 21  - symbol: C # 24    coordinates: [  0.940951943621481,  0.881903887242963,  0.583344886682562 ]    mass: 12.010700    reduced_to: 21  - symbol: C # 25    coordinates: [  0.440951943621481,  0.059048056378519,  0.583344886682562 ]    mass: 12.010700    reduced_to: 25  - symbol: C # 26    coordinates: [  0.940951943621481,  0.059048056378519,  0.583344886682562 ]    mass: 12.010700    reduced_to: 25  - symbol: C # 27    coordinates: [  0.440951943621481,  0.559048056378519,  0.583344886682562 ]    mass: 12.010700    reduced_to: 25  - symbol: C # 28    coordinates: [  0.940951943621481,  0.559048056378519,  0.583344886682562 ]    mass: 12.010700    reduced_to: 25  - symbol: C # 29    coordinates: [  0.059048056378519,  0.440951943621481,  0.083344886682562 ]    mass: 12.010700    reduced_to: 29  - symbol: C # 30    coordinates: [  0.559048056378519,  0.440951943621481,  0.083344886682562 ]    mass: 12.010700    reduced_to: 29  - symbol: C # 31    coordinates: [  0.059048056378519,  0.940951943621481,  0.083344886682562 ]    mass: 12.010700    reduced_to: 29  - symbol: C # 32    coordinates: [  0.559048056378519,  0.940951943621481,  0.083344886682562 ]    mass: 12.010700    reduced_to: 29  - symbol: C # 33    coordinates: [  0.059048056378519,  0.118096112757037,  0.083344886682562 ]    mass: 12.010700    reduced_to: 33  - symbol: C # 34    coordinates: [  0.559048056378519,  0.118096112757037,  0.083344886682562 ]    mass: 12.010700    reduced_to: 33  - symbol: C # 35    coordinates: [  0.059048056378519,  0.618096112757036,  0.083344886682562 ]    mass: 12.010700    reduced_to: 33  - symbol: C # 36    coordinates: [  0.559048056378519,  0.618096112757036,  0.083344886682562 ]    mass: 12.010700    reduced_to: 33  - symbol: C # 37    coordinates: [  0.440951943621481,  0.059048056378519,  0.916655113317438 ]    mass: 12.010700    reduced_to: 37  - symbol: C # 38    coordinates: [  0.940951943621481,  0.059048056378519,  0.916655113317438 ]    mass: 12.010700    reduced_to: 37  - symbol: C # 39    coordinates: [  0.440951943621481,  0.559048056378519,  0.916655113317438 ]    mass: 12.010700    reduced_to: 37  - 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symbol: C # 48    coordinates: [  0.618096112757036,  0.559048056378519,  0.583344886682562 ]    mass: 12.010700    reduced_to: 45  - symbol: N # 49    coordinates: [  0.403916870156785,  0.307833740313569,  0.862582825433800 ]    mass: 14.006700    reduced_to: 49  - symbol: N # 50    coordinates: [  0.903916870156785,  0.307833740313569,  0.862582825433800 ]    mass: 14.006700    reduced_to: 49  - symbol: N # 51    coordinates: [  0.403916870156785,  0.807833740313569,  0.862582825433800 ]    mass: 14.006700    reduced_to: 49  - symbol: N # 52    coordinates: [  0.903916870156785,  0.807833740313569,  0.862582825433800 ]    mass: 14.006700    reduced_to: 49  - symbol: N # 53    coordinates: [  0.096083129843215,  0.192166259686431,  0.362582825433800 ]    mass: 14.006700    reduced_to: 53  - symbol: N # 54    coordinates: [  0.596083129843215,  0.192166259686431,  0.362582825433800 ]    mass: 14.006700    reduced_to: 53  - symbol: N # 55    coordinates: [  0.096083129843215,  0.692166259686431,  0.362582825433800 ]    mass: 14.006700    reduced_to: 53  - symbol: N # 56    coordinates: [  0.596083129843215,  0.692166259686431,  0.362582825433800 ]    mass: 14.006700    reduced_to: 53  - symbol: N # 57    coordinates: [  0.307833740313569,  0.403916870156785,  0.362582825433800 ]    mass: 14.006700    reduced_to: 57  - symbol: N # 58    coordinates: [  0.807833740313569,  0.403916870156785,  0.362582825433800 ]    mass: 14.006700    reduced_to: 57  - symbol: N # 59    coordinates: [  0.307833740313569,  0.903916870156785,  0.362582825433800 ]    mass: 14.006700    reduced_to: 57  - symbol: N # 60    coordinates: [  0.807833740313569,  0.903916870156785,  0.362582825433800 ]    mass: 14.006700    reduced_to: 57  - symbol: N # 61    coordinates: [  0.096083129843215,  0.403916870156785,  0.362582825433800 ]    mass: 14.006700    reduced_to: 61  - symbol: N # 62    coordinates: [  0.596083129843215,  0.403916870156785,  0.362582825433800 ]    mass: 14.006700    reduced_to: 61  - symbol: N # 63    coordinates: [  0.096083129843215,  0.903916870156785,  0.362582825433800 ]    mass: 14.006700    reduced_to: 61  - symbol: N # 64    coordinates: [  0.596083129843215,  0.903916870156785,  0.362582825433800 ]    mass: 14.006700    reduced_to: 61  - symbol: N # 65    coordinates: [  0.307833740313569,  0.403916870156785,  0.137417174566200 ]    mass: 14.006700    reduced_to: 65  - symbol: N # 66    coordinates: [  0.807833740313569,  0.403916870156785,  0.137417174566200 ]    mass: 14.006700    reduced_to: 65  - symbol: N # 67    coordinates: [  0.307833740313569,  0.903916870156785,  0.137417174566200 ]    mass: 14.006700    reduced_to: 65  - symbol: N # 68    coordinates: [  0.807833740313569,  0.903916870156785,  0.137417174566200 ]    mass: 14.006700    reduced_to: 65  - symbol: N # 69    coordinates: [  0.403916870156785,  0.307833740313569,  0.637417174566200 ]    mass: 14.006700    reduced_to: 69  - symbol: N # 70    coordinates: [  0.903916870156785,  0.307833740313569,  0.637417174566200 ]    mass: 14.006700    reduced_to: 69  - symbol: N # 71    coordinates: [  0.403916870156785,  0.807833740313569,  0.637417174566200 ]    mass: 14.006700    reduced_to: 69  - symbol: N # 72    coordinates: [  0.903916870156785,  0.807833740313569,  0.637417174566200 ]    mass: 14.006700    reduced_to: 69  - symbol: N # 73    coordinates: [  0.403916870156785,  0.096083129843215,  0.637417174566200 ]    mass: 14.006700    reduced_to: 73  - symbol: N # 74    coordinates: [  0.903916870156785,  0.096083129843215,  0.637417174566200 ]    mass: 14.006700    reduced_to: 73  - symbol: N # 75    coordinates: [  0.403916870156785,  0.596083129843215,  0.637417174566200 ]    mass: 14.006700    reduced_to: 73  - symbol: N # 76    coordinates: [  0.903916870156785,  0.596083129843215,  0.637417174566200 ]    mass: 14.006700    reduced_to: 73  - symbol: N # 77    coordinates: [  0.096083129843215,  0.403916870156785,  0.137417174566200 ]    mass: 14.006700    reduced_to: 77  - symbol: N # 78    coordinates: [  0.596083129843215,  0.403916870156785,  0.137417174566200 ]    mass: 14.006700    reduced_to: 77  - symbol: N # 79    coordinates: [  0.096083129843215,  0.903916870156785,  0.137417174566200 ]    mass: 14.006700    reduced_to: 77  - symbol: N # 80    coordinates: [  0.596083129843215,  0.903916870156785,  0.137417174566200 ]    mass: 14.006700    reduced_to: 77  - symbol: N # 81    coordinates: [  0.096083129843215,  0.192166259686431,  0.137417174566200 ]    mass: 14.006700    reduced_to: 81  - symbol: N # 82    coordinates: [  0.596083129843215,  0.192166259686431,  0.137417174566200 ]    mass: 14.006700    reduced_to: 81  - symbol: N # 83    coordinates: [  0.096083129843215,  0.692166259686431,  0.137417174566200 ]    mass: 14.006700    reduced_to: 81  - symbol: N # 84    coordinates: [  0.596083129843215,  0.692166259686431,  0.137417174566200 ]    mass: 14.006700    reduced_to: 81  - symbol: N # 85    coordinates: [  0.403916870156785,  0.096083129843215,  0.862582825433800 ]    mass: 14.006700    reduced_to: 85  - symbol: N # 86    coordinates: [  0.903916870156785,  0.096083129843215,  0.862582825433800 ]    mass: 14.006700    reduced_to: 85  - symbol: N # 87    coordinates: [  0.403916870156785,  0.596083129843215,  0.862582825433800 ]    mass: 14.006700    reduced_to: 85  - symbol: N # 88    coordinates: [  0.903916870156785,  0.596083129843215,  0.862582825433800 ]    mass: 14.006700    reduced_to: 85  - symbol: N # 89    coordinates: [  0.192166259686431,  0.096083129843215,  0.862582825433800 ]    mass: 14.006700    reduced_to: 89  - symbol: N # 90    coordinates: [  0.692166259686431,  0.096083129843215,  0.862582825433800 ]    mass: 14.006700    reduced_to: 89  - symbol: N # 91    coordinates: [  0.192166259686431,  0.596083129843215,  0.862582825433800 ]    mass: 14.006700    reduced_to: 89  - symbol: N # 92    coordinates: [  0.692166259686431,  0.596083129843215,  0.862582825433800 ]    mass: 14.006700    reduced_to: 89  - symbol: N # 93    coordinates: [  0.192166259686431,  0.096083129843215,  0.637417174566200 ]    mass: 14.006700    reduced_to: 93  - symbol: N # 94    coordinates: [  0.692166259686431,  0.096083129843215,  0.637417174566200 ]    mass: 14.006700    reduced_to: 93  - symbol: N # 95    coordinates: [  0.192166259686431,  0.596083129843215,  0.637417174566200 ]    mass: 14.006700    reduced_to: 93  - symbol: N # 96    coordinates: [  0.692166259686431,  0.596083129843215,  0.637417174566200 ]    mass: 14.006700    reduced_to: 93  - symbol: Co # 97    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 98    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 99    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 100    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 101    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 58.933195    reduced_to: 101  - symbol: Co # 102    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 58.933195    reduced_to: 101  - symbol: Co # 103    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 58.933195    reduced_to: 101  - symbol: Co # 104    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 58.933195    reduced_to: 101  - symbol: Er # 105    coordinates: [  0.333333333333333,  0.166666666666666,  0.750000000000000 ]    mass: 167.259000    reduced_to: 105  - symbol: Er # 106    coordinates: [  0.833333333333333,  0.166666666666666,  0.750000000000000 ]    mass: 167.259000    reduced_to: 105  - symbol: Er # 107    coordinates: [  0.333333333333333,  0.666666666666667,  0.750000000000000 ]    mass: 167.259000    reduced_to: 105  - symbol: Er # 108    coordinates: [  0.833333333333333,  0.666666666666667,  0.750000000000000 ]    mass: 167.259000    reduced_to: 105  - symbol: Er # 109    coordinates: [  0.166666666666666,  0.333333333333333,  0.250000000000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 110    coordinates: [  0.666666666666667,  0.333333333333333,  0.250000000000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 111    coordinates: [  0.166666666666666,  0.833333333333333,  0.250000000000000 ]    mass: 167.259000    reduced_to: 109  - symbol: Er # 112    coordinates: [  0.666666666666667,  0.833333333333333,  0.250000000000000 ]    mass: 167.259000    reduced_to: 109nac:  born_effective_charge:  - # 1 (C)    - [  0.973172180771486, -0.342893799076140, -0.498285033287726 ]    - [ -0.342893799076133,  0.577232526371371,  0.287684998101830 ]    - [ -0.516061738983169,  0.297948383920405,  0.815507051428571 ]  - # 2 (C)    - [  0.973172180771491,  0.342893799076134,  0.498285033287730 ]    - [  0.342893799076133,  0.577232526371365,  0.287684998101830 ]    - [  0.516061738983169,  0.297948383920397,  0.815507051428571 ]  - # 3 (C)    - [  0.379262699171308,  0.000000000000006, -0.000000000000005 ]    - [  0.000000000000000,  1.171142007971548, -0.575369996203659 ]    - [  0.000000000000000, -0.595896767840801,  0.815507051428571 ]  - # 4 (C)    - [  0.379262699171308,  0.000000000000006,  0.000000000000005 ]    - [  0.000000000000000,  1.171142007971548,  0.575369996203659 ]    - [  0.000000000000000,  0.595896767840801,  0.815507051428571 ]  - # 5 (C)    - [  0.973172180771491,  0.342893799076134, -0.498285033287730 ]    - [  0.342893799076133,  0.577232526371365, -0.287684998101830 ]    - [ -0.516061738983169, -0.297948383920397,  0.815507051428571 ]  - # 6 (C)    - [  0.379262699171308,  0.000000000000006, -0.000000000000005 ]    - [  0.000000000000000,  1.171142007971548, -0.575369996203659 ]    - [  0.000000000000000, -0.595896767840801,  0.815507051428571 ]  - # 7 (C)    - [  0.973172180771486, -0.342893799076140, -0.498285033287726 ]    - [ -0.342893799076133,  0.577232526371371,  0.287684998101830 ]    - [ -0.516061738983169,  0.297948383920405,  0.815507051428571 ]  - # 8 (C)    - [  0.973172180771486, -0.342893799076140,  0.498285033287726 ]    - [ -0.342893799076133,  0.577232526371371, -0.287684998101830 ]    - [  0.516061738983169, -0.297948383920405,  0.815507051428571 ]  - # 9 (C)    - [  0.379262699171308,  0.000000000000006,  0.000000000000005 ]    - [  0.000000000000000,  1.171142007971548,  0.575369996203659 ]    - [  0.000000000000000,  0.595896767840801,  0.815507051428571 ]  - # 10 (C)    - [  0.973172180771486, -0.342893799076140,  0.498285033287726 ]    - [ -0.342893799076133,  0.577232526371371, -0.287684998101830 ]    - [  0.516061738983169, -0.297948383920405,  0.815507051428571 ]  - # 11 (C)    - [  0.973172180771491,  0.342893799076134, -0.498285033287730 ]    - [  0.342893799076133,  0.577232526371365, -0.287684998101830 ]    - [ -0.516061738983169, -0.297948383920397,  0.815507051428571 ]  - # 12 (C)    - [  0.973172180771491,  0.342893799076134,  0.498285033287730 ]    - [  0.342893799076133,  0.577232526371365,  0.287684998101830 ]    - [  0.516061738983169,  0.297948383920397,  0.815507051428571 ]  - # 13 (N)    - [ -0.387750252514243, -0.000000000000012, -0.000000000000008 ]    - [  0.000000000000000, -1.959484610342900, -1.048849022277982 ]    - [  0.000000000000000, -1.107829998224931, -1.388658258571429 ]  - # 14 (N)    - [ -0.387750252514243, -0.000000000000012,  0.000000000000008 ]    - [  0.000000000000000, -1.959484610342900,  1.048849022277982 ]    - [  0.000000000000000,  1.107829998224931, -1.388658258571429 ]  - # 15 (N)    - [ -1.566551020885741, -0.680580940940217, -0.908329898027213 ]    - [ -0.680580940940215, -0.780683841971402, -0.524424511138991 ]    - [ -0.959408921537255, -0.553914999112458, -1.388658258571429 ]  - # 16 (N)    - [ -1.566551020885730,  0.680580940940229,  0.908329898027205 ]    - [  0.680580940940215, -0.780683841971412, -0.524424511138991 ]    - [  0.959408921537255, -0.553914999112473, -1.388658258571429 ]  - # 17 (N)    - [ -1.566551020885741, -0.680580940940217,  0.908329898027213 ]    - [ -0.680580940940215, -0.780683841971402,  0.524424511138991 ]    - [  0.959408921537255,  0.553914999112458, -1.388658258571429 ]  - # 18 (N)    - [ -0.387750252514243, -0.000000000000012,  0.000000000000008 ]    - [  0.000000000000000, -1.959484610342900,  1.048849022277982 ]    - [  0.000000000000000,  1.107829998224931, -1.388658258571429 ]  - # 19 (N)    - [ -1.566551020885730,  0.680580940940229,  0.908329898027205 ]    - [  0.680580940940215, -0.780683841971412, -0.524424511138991 ]    - [  0.959408921537255, -0.553914999112473, -1.388658258571429 ]  - # 20 (N)    - [ -1.566551020885730,  0.680580940940229, -0.908329898027205 ]    - [  0.680580940940215, -0.780683841971412,  0.524424511138991 ]    - [ -0.959408921537255,  0.553914999112473, -1.388658258571429 ]  - # 21 (N)    - [ -0.387750252514243, -0.000000000000012, -0.000000000000008 ]    - [  0.000000000000000, -1.959484610342900, -1.048849022277982 ]    - [  0.000000000000000, -1.107829998224931, -1.388658258571429 ]  - # 22 (N)    - [ -1.566551020885730,  0.680580940940229, -0.908329898027205 ]    - [  0.680580940940215, -0.780683841971412,  0.524424511138991 ]    - [ -0.959408921537255,  0.553914999112473, -1.388658258571429 ]  - # 23 (N)    - [ -1.566551020885741, -0.680580940940217,  0.908329898027213 ]    - [ -0.680580940940215, -0.780683841971402,  0.524424511138991 ]    - [  0.959408921537255,  0.553914999112458, -1.388658258571429 ]  - # 24 (N)    - [ -1.566551020885741, -0.680580940940217, -0.908329898027213 ]    - [ -0.680580940940215, -0.780683841971402, -0.524424511138991 ]    - [ -0.959408921537255, -0.553914999112458, -1.388658258571429 ]  - # 25 (Co)    - [ -1.704164301428572, -0.000000000000000,  0.000000000000000 ]    - [  0.000000000000000, -1.704164301428572,  0.000000000000000 ]    - [  0.000000000000000,  0.000000000000000, -1.742505128571429 ]  - # 26 (Co)    - [ -1.704164301428572, -0.000000000000000,  0.000000000000000 ]    - [  0.000000000000000, -1.704164301428572,  0.000000000000000 ]    - [  0.000000000000000,  0.000000000000000, -1.742505128571429 ]  - # 27 (Er)    - [  4.094654768571429,  0.000000000000000,  0.000000000000000 ]    - [  0.000000000000000,  4.094654768571429,  0.000000000000000 ]    - [  0.000000000000000,  0.000000000000000,  5.181412371428574 ]  - # 28 (Er)    - [  4.094654768571429,  0.000000000000000,  0.000000000000000 ]    - [  0.000000000000000,  4.094654768571429,  0.000000000000000 ]    - [  0.000000000000000,  0.000000000000000,  5.181412371428574 ]  dielectric_constant:    - [  2.464161419999998,  0.000000000000000,  0.000000000000000 ]    - [ -0.000000000000000,  2.464161419999998,  0.000000000000000 ]    - [  0.000000000000000,  0.000000000000000,  2.644577710000000 ]  unit_conversion_factor: 14.399652dataset:  displacements:  - # 1    - [   -0.0075992318302701,   -0.0063689456487571,   -0.0012993101681232 ]    - [   -0.0096342178956174,   -0.0008288584470393,    0.0025484974425213 ]    - [   -0.0012447814212076,    0.0095150154444324,   -0.0028133610336443 ]    - [   -0.0022155326673868,   -0.0017408210240656,   -0.0095948401321707 ]    - [    0.0027450777937702,   -0.0059142812359446,   -0.0075819407389074 ]    - [   -0.0057274243879760,    0.0044782549045182,   -0.0068659917630431 ]    - [   -0.0031838289090880,   -0.0066264577424444,    0.0067788856949542 ]    - [    0.0087000597960898,    0.0024666332463482,    0.0042690373589922 ]    - [   -0.0011466191134859,   -0.0074932595751877,    0.0065219878524455 ]    - [   -0.0091484604458829,    0.0038098552830667,   -0.0013381607497626 ]    - [   -0.0003985241581810,   -0.0099825913980961,    0.0004347958992493 ]    - [   -0.0089414148357283,    0.0041377449430218,   -0.0017117732098368 ]    - [   -0.0065695404706300,   -0.0068621298068482,   -0.0031228692765980 ]    - [   -0.0054026543709281,    0.0060177490002426,    0.0058820083915590 ]    - [   -0.0059246088984688,   -0.0038127497756561,    0.0070966152881792 ]    - [    0.0028354211297553,   -0.0017665170516122,   -0.0094254869647833 ]    - [   -0.0058667097665457,   -0.0076919160915892,    0.0025330107293632 ]    - [    0.0052797337548435,   -0.0062685646966135,    0.0057297040169922 ]    - [    0.0070238820934525,   -0.0010615247203625,    0.0070383411117490 ]    - [   -0.0096699103770969,   -0.0011879961029341,    0.0022542179482753 ]    - [    0.0058983116325144,   -0.0080681551808529,    0.0003388094795331 ]    - [   -0.0065830510395478,    0.0019633791835244,   -0.0072669512997138 ]    - [    0.0081342969568661,    0.0056717047585035,    0.0012903403232821 ]    - [   -0.0029133767877905,   -0.0085540847309191,    0.0042825074557577 ]    - [   -0.0007983917517902,   -0.0009824044174278,   -0.0099195489903166 ]    - [   -0.0053800477742380,   -0.0042372397156037,   -0.0072870354424435 ]    - [   -0.0016393869603980,    0.0053877358562933,   -0.0082634564642702 ]    - [   -0.0036625321676451,   -0.0081008333439938,   -0.0045784666924422 ]    - [   -0.0055845108653020,   -0.0061090180659306,    0.0056118746124141 ]    - [    0.0095868511156114,   -0.0006793225676559,   -0.0027623914523786 ]    - [    0.0024769606483542,    0.0087435805783333,    0.0041730641759621 ]    - [    0.0047213000219338,    0.0074082021598914,   -0.0047778516993591 ]    - [    0.0014493792990575,    0.0037294701954125,    0.0091646250173694 ]    - [   -0.0002761514257763,   -0.0032616551505763,   -0.0094490923410008 ]    - [    0.0048851851200341,    0.0055415942461373,    0.0067398590158975 ]    - [   -0.0056464799426081,   -0.0050461117557434,    0.0065310045480212 ]    - [   -0.0081221037233811,   -0.0058315145421163,   -0.0001576998786423 ]    - [    0.0079161397880329,   -0.0061039009031338,   -0.0002777131992627 ]    - [    0.0050848054306072,    0.0085605208653622,    0.0009285667701171 ]    - [   -0.0009511143726226,    0.0099514867990277,    0.0002515788921354 ]    - [    0.0091996963762504,    0.0037812913178477,    0.0010331614367442 ]    - [   -0.0062943446010062,   -0.0077427345699545,   -0.0006567247696074 ]    - [    0.0047837097460671,   -0.0067407508637115,    0.0056283566747991 ]    - [    0.0066086869522415,    0.0050459851160653,    0.0055554739649935 ]    - [    0.0068151206088346,    0.0033921473359771,    0.0064844018643250 ]    - [   -0.0014866582941874,    0.0089494346930116,   -0.0042068356031397 ]    - [   -0.0081008037211314,    0.0021777631066228,   -0.0054437419963787 ]    - [   -0.0014373165854160,   -0.0094878483967979,   -0.0028133350018558 ]    - [   -0.0034363374601934,    0.0014801861113109,    0.0092736526749471 ]    - [    0.0091340361254556,   -0.0031044681716174,    0.0026328048598951 ]    - [    0.0093447623316007,   -0.0034572501646741,    0.0008501989559852 ]    - [   -0.0010088275370177,   -0.0073134543938482,    0.0067450464660858 ]    - [   -0.0011934171869042,   -0.0098842556686537,    0.0009366137382558 ]    - [    0.0035099792992150,   -0.0034533563243973,   -0.0087036989502066 ]    - [    0.0015388560133535,   -0.0041159202341246,   -0.0089828237651915 ]    - [    0.0094986066125057,   -0.0028232282000134,   -0.0013438210265929 ]    - [    0.0080125942101723,   -0.0047516335131031,    0.0036359748321831 ]    - [   -0.0081763894423501,   -0.0005108585524501,    0.0057346036677712 ]    - [   -0.0086264379805213,   -0.0005432033782014,    0.0050288664585700 ]    - [   -0.0099367518532155,    0.0011197512676541,    0.0000843783515265 ]    - [    0.0083491915687825,   -0.0032266772704998,    0.0044586493403059 ]    - [    0.0020488333974432,   -0.0050178994858548,   -0.0084037471677449 ]    - [    0.0019145407421045,   -0.0098150039376489,   -0.0000152135057933 ]    - [   -0.0063731176793219,    0.0065751260171474,   -0.0040188417366383 ]    - [   -0.0013847436550423,   -0.0006873105887496,   -0.0098797818378956 ]    - [   -0.0087795765109719,   -0.0013748275082082,    0.0045857262904217 ]    - [    0.0071507525240396,    0.0013607924261309,    0.0068567472108082 ]    - [   -0.0040251679000334,   -0.0090924101127417,    0.0010611793996553 ]    - [    0.0042885022741091,   -0.0061150969302204,   -0.0066493862708501 ]    - [   -0.0044072988925021,    0.0056961139565338,    0.0069375789917183 ]    - [   -0.0094827823412265,   -0.0029598743869539,    0.0011471628839782 ]    - [   -0.0035475469912107,    0.0004742515574926,   -0.0093375583428093 ]    - [    0.0047139935865188,    0.0087729307518552,   -0.0009021920468569 ]    - [   -0.0092273967881760,    0.0027593276457357,    0.0026909588359985 ]    - [   -0.0021004220509540,   -0.0073446226385082,    0.0064532740144658 ]    - [    0.0099451379673989,    0.0007406086860924,   -0.0007387351240367 ]    - [    0.0047344165143785,   -0.0071056908127581,   -0.0052052337451708 ]    - [   -0.0041914284887267,    0.0057309715452312,    0.0070418671083485 ]    - [    0.0096975150559833,    0.0011457835681482,    0.0021553147691087 ]    - [    0.0076356055607010,    0.0064310737287336,   -0.0005820811085964 ]    - [    0.0014007300403751,   -0.0055798138085578,    0.0081794641154429 ]    - [    0.0004234104095653,   -0.0073863956901638,   -0.0067276951724496 ]    - [    0.0071032186894848,    0.0047075492485722,    0.0052329020936400 ]    - [   -0.0018041882145085,   -0.0031990589663874,   -0.0093011250188461 ]    - [    0.0087832146359393,    0.0040175892004021,    0.0025911614530620 ]    - [    0.0075903453398179,   -0.0064684729054736,    0.0007385904775026 ]    - [   -0.0068071475982761,    0.0015185593289073,   -0.0071663602435178 ]    - [   -0.0063888177247194,    0.0053101396935156,    0.0055664552918047 ]    - [   -0.0026833209737742,    0.0082342188379724,    0.0049997428613963 ]    - [    0.0010104746111285,   -0.0073952708472637,   -0.0066549913715854 ]    - [   -0.0074578733018426,    0.0036628908823514,   -0.0055644726792078 ]    - [    0.0076450076170609,    0.0063312132604658,    0.0012122694360511 ]    - [    0.0049286663018730,    0.0083365545482762,   -0.0024920085771116 ]    - [    0.0011741226432418,   -0.0075290629994113,   -0.0064756965933808 ]    - [   -0.0076233037715557,    0.0062185354254500,   -0.0017930579379954 ]    - [   -0.0080566598456324,   -0.0051510467716396,    0.0029252263652847 ]    - [    0.0000196886734698,    0.0025758563246908,   -0.0096625346856137 ]    - [    0.0006113812024237,   -0.0011115089448261,   -0.0099192117071315 ]    - [   -0.0083086961802420,    0.0036195772383863,    0.0042266095632065 ]    - [    0.0014438374675630,   -0.0013067438629346,    0.0098085551353879 ]    - [    0.0006463955600085,   -0.0048725924648279,    0.0087086173099812 ]    - [    0.0038272493945736,   -0.0089319020184439,    0.0023607813123317 ]    - [    0.0086649956212478,    0.0025243527739530,    0.0043064479511998 ]    - [   -0.0014125987180718,    0.0093637815716931,    0.0032131230196371 ]    - [    0.0045184809131951,   -0.0048893146756320,    0.0074617646867039 ]    - [   -0.0052819080647065,   -0.0019960472107343,    0.0082533170742743 ]    - [   -0.0085622974670578,   -0.0049093416655557,    0.0016079261476991 ]    - [   -0.0039481872800997,    0.0088230996211762,    0.0025621729598253 ]    - [   -0.0051548222443674,    0.0084991756851787,   -0.0010917052264426 ]    - [    0.0025895773871708,    0.0049888824151627,    0.0082707400638355 ]    - [   -0.0073837475770813,   -0.0048608684029132,   -0.0046746368936535 ]    - [    0.0069631516104654,   -0.0071356751228768,    0.0007724378230187 ]  - # 2    - [   -0.0006389825998638,   -0.0080855439002620,   -0.0058494171567778 ]    - [   -0.0028203392901673,    0.0020389145195400,   -0.0093748874057424 ]    - [    0.0053079540863886,   -0.0045859979828821,   -0.0071270082024502 ]    - [    0.0065357161928580,    0.0028685539088012,   -0.0070039854596305 ]    - [    0.0073796550777839,   -0.0033941234414715,   -0.0058327195198288 ]    - [   -0.0011545829802009,   -0.0073155092697554,   -0.0067193944865556 ]    - [   -0.0088957755392691,   -0.0030019815538294,    0.0034428599020887 ]    - [    0.0065744602656228,    0.0065344544240306,   -0.0037519831550812 ]    - [    0.0098827597702446,   -0.0003811334048898,    0.0014784439966774 ]    - [   -0.0078170390579639,   -0.0040541380194654,   -0.0047389730201165 ]    - [    0.0060287103229976,   -0.0029552485916813,   -0.0074108810274318 ]    - [    0.0055576113604503,    0.0017096906491953,   -0.0081357183979196 ]    - [    0.0018180386389607,   -0.0029754334022823,    0.0093723813183112 ]    - [    0.0029943621935300,    0.0015032131371359,    0.0094220032539954 ]    - [   -0.0053208251863203,    0.0081361717263278,    0.0023434011556546 ]    - [   -0.0011963288889053,    0.0089957842655225,    0.0042005550392476 ]    - [   -0.0087738958886636,   -0.0047750592959828,   -0.0004664329048657 ]    - [   -0.0087258596646293,   -0.0046479078253690,   -0.0015021071732964 ]    - [   -0.0094790121639554,    0.0005642904538698,    0.0031352678799837 ]    - [    0.0050162542187785,    0.0077574341573818,   -0.0038287607533604 ]    - [    0.0030967146416571,    0.0067639968564143,   -0.0066827168842144 ]    - [    0.0087030267694458,    0.0010682119163572,    0.0048079359762857 ]    - [   -0.0052538272043491,   -0.0013649762481576,    0.0083984605463625 ]    - [    0.0039323697993731,    0.0011826518125889,   -0.0091179933346739 ]    - [    0.0094099705784590,   -0.0028619421087573,    0.0018060290913097 ]    - [   -0.0047513441716524,   -0.0080359847714270,    0.0035843656783171 ]    - [   -0.0060547681462251,   -0.0077073099678416,   -0.0019842267398327 ]    - [   -0.0089154908314317,    0.0037116108783827,   -0.0025957596040712 ]    - [    0.0035636512544676,    0.0038966315686479,    0.0084921523864535 ]    - [    0.0024282804849696,   -0.0094015726420773,   -0.0023903735570114 ]    - [    0.0055958240026648,    0.0075429177597800,    0.0034338237287893 ]    - [   -0.0092901686304323,    0.0011076216158908,   -0.0035307139751250 ]    - [   -0.0096789135759473,    0.0020738603353293,   -0.0014204700978515 ]    - [   -0.0053017965047481,    0.0084050268611868,   -0.0011164574711871 ]    - [    0.0059078502861548,    0.0011065337365976,   -0.0079920515567751 ]    - [    0.0038625722627199,    0.0087376460194462,   -0.0029553472814753 ]    - [    0.0054078085631307,    0.0049204980448145,    0.0068223387145104 ]    - [   -0.0096106300916153,    0.0015107429506709,    0.0023137512785814 ]    - [   -0.0036908256935398,   -0.0066962268292254,    0.0064450253646877 ]    - [    0.0037227061098912,    0.0035398949941169,    0.0085796621524396 ]    - [    0.0050866874655906,    0.0003245505975626,    0.0086035037942123 ]    - [    0.0066703000940736,   -0.0002052696662941,    0.0074474801791680 ]    - [    0.0096401146410237,    0.0013608932341601,    0.0022838912656117 ]    - [   -0.0084344877558113,   -0.0010916810724668,    0.0052600046324207 ]    - [    0.0020180770181242,    0.0040583195917667,   -0.0089138884466882 ]    - [   -0.0067376224769567,   -0.0066415042073399,   -0.0032395779388517 ]    - [    0.0057729661628053,   -0.0002189433071241,   -0.0081624092957515 ]    - [    0.0097909902981827,    0.0011057433952842,    0.0017069975174784 ]    - [    0.0027732280803321,   -0.0053470398783341,    0.0079823787528507 ]    - [    0.0067913189713095,   -0.0031357516919693,    0.0066366443294970 ]    - [   -0.0038127233968034,   -0.0018723048473188,    0.0090530445076877 ]    - [   -0.0075043720835986,   -0.0003895020088241,    0.0065979305707190 ]    - [   -0.0037681119406255,   -0.0067522417817916,    0.0063410222616817 ]    - [    0.0049040923291569,    0.0081677158129808,    0.0030394566661640 ]    - [   -0.0019871183714587,   -0.0089497809848243,    0.0039940932514764 ]    - [    0.0026273067439695,    0.0058332229078544,    0.0076857510875890 ]    - [    0.0073034061189715,    0.0048889888402131,   -0.0047705395063496 ]    - [    0.0043159438088312,   -0.0072271505559202,   -0.0053982334037233 ]    - [    0.0060558002699511,    0.0077160587757047,   -0.0019467203343909 ]    - [    0.0076633558828149,   -0.0037948397162182,   -0.0051838372024534 ]    - [    0.0034865086242838,    0.0088828737915395,    0.0029897844096817 ]    - [   -0.0032425521797263,   -0.0088310488095615,   -0.0033909338367026 ]    - [   -0.0063710067290253,    0.0035881843846815,   -0.0068216717951131 ]    - [    0.0092086927325518,    0.0008391130195596,   -0.0038073438901488 ]    - [   -0.0035403453271950,   -0.0005041019502086,   -0.0093387277606751 ]    - [   -0.0031170304498040,   -0.0095004753932573,    0.0001583934250773 ]    - [   -0.0033201007491541,   -0.0012561515850715,    0.0093487439910818 ]    - [   -0.0080717863761548,   -0.0008386131645421,    0.0058432005491835 ]    - [   -0.0081489229179248,   -0.0016118169738778,    0.0055675040476356 ]    - [    0.0024539084138888,   -0.0054818669368438,    0.0079954654888246 ]    - [   -0.0039719898478302,   -0.0079586178615141,   -0.0045698685301792 ]    - [    0.0028141866846192,   -0.0056318721604181,    0.0077693223174753 ]    - [   -0.0092482368576464,    0.0038017924262524,    0.0001284109518730 ]    - [    0.0015566523293175,    0.0081432566588185,   -0.0055914402897857 ]    - [   -0.0018475013923023,   -0.0088207003052051,    0.0043338187238502 ]    - [   -0.0036403243604748,   -0.0070904460449960,   -0.0060393388242037 ]    - [    0.0075813459632194,    0.0061663339448222,    0.0021212069835145 ]    - [   -0.0020776460026526,    0.0083337715170425,   -0.0051216832574256 ]    - [   -0.0055239867103087,   -0.0080051646645626,   -0.0023244159519265 ]    - [    0.0048876080786966,    0.0017239858652975,   -0.0085521435912474 ]    - [   -0.0045760636195386,    0.0000325087759993,   -0.0088914894663053 ]    - [    0.0027700819783806,    0.0069371381041401,   -0.0066485156807469 ]    - [   -0.0026291433997150,   -0.0040495961377296,   -0.0087571899662518 ]    - [   -0.0085256466283804,   -0.0037407812607326,   -0.0036496445206812 ]    - [    0.0066359429841411,    0.0013914640701125,    0.0073503801570269 ]    - [   -0.0047281236210553,   -0.0076726436661992,    0.0043330573727510 ]    - [   -0.0012787332142758,    0.0098889117835199,   -0.0007578028137114 ]    - [   -0.0061827422090170,    0.0040965480651487,    0.0067076070790385 ]    - [    0.0019581630341107,    0.0061341930712913,    0.0076509654878299 ]    - [    0.0019970229219463,    0.0079995193336033,    0.0056585855017423 ]    - [   -0.0070465698687759,   -0.0007003663406489,   -0.0070608314009998 ]    - [   -0.0087227208052341,    0.0020403985642400,   -0.0044442002039720 ]    - [    0.0027261580686193,    0.0046664283365140,   -0.0084138284249847 ]    - [   -0.0082319696897410,    0.0044652711437484,   -0.0035065693547959 ]    - [   -0.0028125025012494,   -0.0094721333318304,    0.0015389996180941 ]    - [    0.0060500212357643,    0.0050406744078614,    0.0061635091109474 ]    - [    0.0028000997266410,    0.0087712723826761,   -0.0039018229470043 ]    - [    0.0019803642695794,   -0.0042949533195799,   -0.0088108758555777 ]    - [   -0.0041670683948219,   -0.0011404746898117,   -0.0090185840615240 ]    - [   -0.0095350094007340,    0.0030095109149109,   -0.0001626031394084 ]    - [   -0.0095231498998936,    0.0030451606391130,   -0.0001913443653577 ]    - [    0.0095908302541467,    0.0020965311638064,    0.0019027695907108 ]    - [    0.0093286396350695,    0.0035723915547696,   -0.0004631426760967 ]    - [   -0.0079577050947025,    0.0018165420898161,   -0.0057771190451359 ]    - [    0.0012717257146428,    0.0008707302438207,    0.0098805132735710 ]    - [   -0.0040013692917454,   -0.0039199093667440,    0.0082839214353825 ]    - [   -0.0021829038071130,   -0.0056657961598182,    0.0079456708240576 ]    - [    0.0031714631541807,    0.0083714037109290,    0.0044566154613472 ]    - [   -0.0010035566039096,   -0.0091903779877603,   -0.0038118009634346 ]    - [    0.0036852282714777,    0.0031627932831133,    0.0087416149100378 ]    - [   -0.0034335134910225,   -0.0092254367583731,   -0.0017613352106357 ]    - [   -0.0060732841147508,   -0.0069281597623665,    0.0038879071965058 ]  - # 3    - [   -0.0015885813503376,   -0.0089367167979984,    0.0041966060293686 ]    - [   -0.0012714250477819,    0.0079774022873564,    0.0058944491764332 ]    - [    0.0082193137348526,    0.0050002091866712,   -0.0027277811161441 ]    - [    0.0098695651933553,    0.0013565988698394,    0.0008667885557965 ]    - [    0.0006986737978155,    0.0096635659585008,    0.0024753480341058 ]    - [   -0.0058982386897202,   -0.0079268096092917,   -0.0015415802856576 ]    - [    0.0064984846885023,    0.0017432830905722,    0.0073980173573348 ]    - [    0.0035205843196105,    0.0021249527521949,   -0.0091153750251678 ]    - [   -0.0046375310844824,    0.0044240624282877,    0.0076760000697676 ]    - [    0.0054046637546097,   -0.0055696912863154,    0.0063061992257422 ]    - [   -0.0079960408283020,   -0.0051989076031327,   -0.0030057762402109 ]    - [    0.0035867945535569,   -0.0089870383505373,   -0.0025234988639875 ]    - [   -0.0023366366208055,   -0.0062074204456053,    0.0074838533332630 ]    - [   -0.0078790103412049,   -0.0059462025850069,    0.0016012091872220 ]    - [    0.0008101219477490,    0.0093560149959256,    0.0034363768457185 ]    - [    0.0071809796608200,    0.0069479253786016,    0.0003998300192242 ]    - [   -0.0003407863756842,   -0.0077780269108322,    0.0062758395470660 ]    - [   -0.0098064032154600,   -0.0018687022983840,   -0.0005851561294467 ]    - 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[   -0.0056585625008817,    0.0012199673068757,   -0.0081542841619464 ]    - [    0.0098334226738475,    0.0000651423794071,   -0.0018164677227706 ]    - [   -0.0086987103348371,    0.0027532016539769,   -0.0040929597070015 ]    - [   -0.0057231232079181,    0.0043210332104851,   -0.0069695432232589 ]    - [   -0.0070143287348139,    0.0015992337130058,   -0.0069456204856837 ]    - [    0.0047084286707147,   -0.0081669442719130,    0.0033364233412833 ]    - [   -0.0002864307720177,    0.0008396847228858,   -0.0099605665992951 ]    - [   -0.0098403414688307,   -0.0013582257514475,   -0.0011501750236012 ]    - [    0.0053631293182672,    0.0074324587351985,    0.0039994250918245 ]    - [   -0.0062651720455374,    0.0044034555397078,    0.0064309562702318 ]    - [    0.0072723394099475,   -0.0022053266587930,    0.0064999702948968 ]    - [   -0.0092696398065494,    0.0023796320877221,   -0.0029001946458675 ]    - [   -0.0048030549608335,   -0.0034278334560682,   -0.0080734516063869 ]    - [   -0.0003859806454572,    0.0098683099292565,    0.0015708208304801 ]    - [    0.0005455384277770,   -0.0014286479241860,    0.0098823758748864 ]    - [    0.0026933813301354,   -0.0043900863155984,   -0.0085716299005541 ]    - [   -0.0032299927434274,   -0.0069412393228633,    0.0064332218631214 ]  - # 9    - [    0.0030871292522495,    0.0085633389993135,   -0.0041399104051587 ]    - [    0.0011094634367123,   -0.0079604797877083,    0.0059497775111416 ]    - [    0.0066427259780656,   -0.0069334380669264,    0.0027931394795871 ]    - [    0.0041373426787996,   -0.0070292200080564,   -0.0057855390100252 ]    - [    0.0083826662572779,    0.0049329872829200,   -0.0023230460360577 ]    - [   -0.0031787186399761,    0.0077108698637881,    0.0055170856211946 ]    - [    0.0086321400431609,   -0.0014135024369858,   -0.0048464594433352 ]    - [   -0.0055921598077169,    0.0080210155108213,    0.0020954853519222 ]    - [   -0.0044137023821788,   -0.0074116134479951,   -0.0050583809048991 ]    - [   -0.0008191800542116,    0.0099525279978254,   -0.0005254811997429 ]    - [   -0.0001084859509159,   -0.0079297663773464,    0.0060915544813422 ]    - [    0.0013275384717687,    0.0088193823639963,    0.0045228460424389 ]    - [    0.0016737289636365,    0.0093560361336891,   -0.0031085718941966 ]    - [   -0.0061037033579320,    0.0061341375066971,    0.0050117025417817 ]    - [   -0.0060899913390687,    0.0006720114517210,    0.0079031896155175 ]    - [    0.0029096743780989,    0.0081402973697101,    0.0050268632113999 ]    - [   -0.0018090976612846,    0.0057073248900158,   -0.0080095947620177 ]    - [   -0.0048996635800154,    0.0085374456972086,   -0.0017621911842605 ]    - [   -0.0091459063164151,   -0.0004529807187321,   -0.0040183586350419 ]    - [    0.0051697762469030,    0.0080679206216959,    0.0028604318553275 ]    - [    0.0080432973901337,   -0.0032824509354198,    0.0049528661349193 ]    - [   -0.0012043094141860,    0.0097182316822137,    0.0020262309359301 ]    - 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[    0.0059181648555036,    0.0016539757685570,    0.0078892134525634 ]    - [   -0.0079892055472192,   -0.0051428195106170,    0.0031183332415730 ]    - [    0.0002094406544431,   -0.0093432632736317,    0.0035580283882891 ]    - [    0.0094679985985765,   -0.0032159322217254,    0.0001215832333087 ]    - [    0.0088801222364896,    0.0018640015343337,    0.0042034423208847 ]    - [    0.0073444504606076,    0.0009200043314407,   -0.0067240344631636 ]    - [    0.0016320322971265,    0.0085204192807308,   -0.0049738240682283 ]    - [   -0.0085871813415158,   -0.0018391604265943,   -0.0047830749035712 ]    - [    0.0051827347845224,   -0.0085508897736812,    0.0001467795341860 ]    - [    0.0036287723590745,   -0.0089098287431516,   -0.0027289124085844 ]    - [    0.0021742860577919,    0.0095741837139369,   -0.0018993383981476 ]    - [    0.0013935767771693,    0.0098074659562727,   -0.0013680479825968 ]    - [    0.0059095540327594,   -0.0080662985892690,   -0.0001095363074677 ]    - [    0.0060983356434543,    0.0017545381596923,    0.0077286414217480 ]    - [   -0.0061441103684878,   -0.0055543744333208,   -0.0056034661089644 ]    - [   -0.0067966030430798,   -0.0006974777957010,   -0.0073020347711650 ]    - [    0.0077501214019611,   -0.0010501454935134,    0.0062315979248759 ]    - [   -0.0014413967144290,   -0.0000742122408726,    0.0098952952484975 ]    - [   -0.0070652472211873,    0.0038775021740492,   -0.0059200725159197 ]    - [    0.0039665148407967,    0.0090893565584007,   -0.0012846623571963 ]    - [   -0.0072998474062365,    0.0013475608701961,    0.0067004706959123 ]    - [    0.0068598927102949,   -0.0071845890199627,   -0.0011504575687419 ]    - [    0.0021814496155666,    0.0017423830304399,    0.0096023631961085 ]    - [    0.0045201266341368,    0.0025456010461934,   -0.0085491736749809 ]    - [    0.0036321822793843,   -0.0075499756871043,   -0.0054594064708044 ]    - [   -0.0006862070494850,   -0.0094000137474584,    0.0033419846547867 ]    - [   -0.0075079086677461,    0.0023075884061614,    0.0061892118387184 ]    - [    0.0032763130012679,   -0.0081615942692330,   -0.0047596378120763 ]    - [   -0.0016814473820470,    0.0088615989969056,    0.0043179622415497 ]    - [    0.0067258474051526,    0.0072441083865078,    0.0015119095102318 ]    - [   -0.0029857241384457,   -0.0083491342822128,    0.0046235709258842 ]    - [    0.0047633050017670,   -0.0062152048498888,    0.0062194979004788 ]    - [   -0.0098157864468638,   -0.0002107975622682,    0.0018989209613112 ]    - [   -0.0036974243251290,    0.0092079759866654,   -0.0012418661719116 ]    - [    0.0054491550745719,    0.0013908114949219,   -0.0082687576067303 ]    - [   -0.0093979166470333,    0.0012250921798824,   -0.0031903466655218 ]    - [    0.0036190228383031,    0.0077603533245369,    0.0051652289372485 ]    - [   -0.0017084980445039,    0.0005612779055385,   -0.0098369711570524 ]    - [   -0.0029379021332396,    0.0016987152136231,   -0.0094065454699646 ]    - [   -0.0092582830806270,   -0.0030429607809882,    0.0022415584052939 ]    - [   -0.0029756428934029,    0.0085092095341997,    0.0043288453973347 ]    - [    0.0097100885107194,    0.0007440244120283,   -0.0022716973364209 ]    - [   -0.0071338491253029,    0.0062367587523873,   -0.0031954713145222 ]    - [   -0.0032736210583643,   -0.0038887417267929,   -0.0086116835141878 ]    - [    0.0098058143326135,    0.0014950324651381,   -0.0012692057368661 ]    - [   -0.0007561850420809,   -0.0099672912347459,    0.0002851133527060 ]    - [    0.0006184858058192,    0.0039945522206490,   -0.0091466402500868 ]    - [   -0.0029415873045834,   -0.0061359194073877,   -0.0073278617041779 ]    - [    0.0066575280985923,   -0.0004759864300112,   -0.0074465264744644 ]    - [   -0.0052338698347670,   -0.0068234042508087,    0.0051037007144582 ]    - [   -0.0044492968013918,   -0.0080569131432027,   -0.0039102312688654 ]    - [    0.0044497426725060,    0.0025937132461573,    0.0085716067189989 ]    - 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[   -0.0006611915069049,   -0.0051367762496745,   -0.0085543179477956 ]  - # 20    - [   -0.0073903114564753,   -0.0021529660485633,    0.0063834186585264 ]    - [   -0.0085787241094756,   -0.0017053812232026,   -0.0048473877023662 ]    - [    0.0019722572588102,    0.0068087462297813,    0.0070534513596897 ]    - [   -0.0018543266561780,   -0.0091242131109740,    0.0036483157426020 ]    - [    0.0059884082968162,    0.0019323935720118,    0.0077720538568303 ]    - [   -0.0003456028936805,    0.0094517239586069,    0.0032473793819288 ]    - [    0.0079888306259291,   -0.0056785894817260,   -0.0019829792556273 ]    - [   -0.0071425032523881,    0.0068446286171630,   -0.0014614056188266 ]    - [    0.0078654409483031,    0.0030288378802926,    0.0053815406514920 ]    - [    0.0041559102108836,    0.0090854146046725,   -0.0004285461238627 ]    - [    0.0052267200391382,    0.0015358289984517,    0.0083858587467227 ]    - [   -0.0054957047777445,    0.0023956415516437,   -0.0080036323348786 ]    - 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[    0.0019681818105169,   -0.0095747488257663,    0.0021096078508192 ]  - # 59    - [    0.0003083407649994,    0.0099587756625379,    0.0008530611208368 ]    - [    0.0059146637466859,    0.0057319025680541,    0.0056711591155577 ]    - [    0.0045565938647139,   -0.0058010008244535,    0.0067517287998513 ]    - [    0.0069670642315702,    0.0012758189687084,   -0.0070591998096285 ]    - [    0.0075548749245321,   -0.0039115407785746,   -0.0052558266345290 ]    - [   -0.0082643539823140,   -0.0038695950137193,   -0.0040898273416868 ]    - [   -0.0027980482325858,   -0.0077090911100580,    0.0057219612323877 ]    - [    0.0060659816490804,    0.0002586001293665,    0.0079458789700140 ]    - [   -0.0007406498801921,    0.0058787990542378,    0.0080555049149550 ]    - [    0.0001220544340283,    0.0069537734499839,    0.0071854114371714 ]    - [    0.0032680657635965,   -0.0023574858186436,    0.0091521585858038 ]    - [   -0.0094837469697939,    0.0030686519661323,    0.0008011981800266 ]    - 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[    0.4696077092014994,    0.3208012692170881,    0.4352368697869349 ]    - [   -0.3267500027481151,   -0.2075362379494764,   -0.3032341509082509 ]    - [    0.0459718163596723,    0.0084166794791509,   -0.0073745056332361 ]    - [    0.0952783115990066,   -0.1785285676637351,    0.5965178758262137 ]    - [   -0.0653279448398720,    0.1093960995583885,    0.2782331788381804 ]    - [    0.1452948357031388,   -0.3148647532496858,   -0.4240579811672021 ]    - [   -0.1765515122399048,   -0.0315697550800698,   -0.5259303208423587 ]    - [    0.0913355163122427,    0.1872569624091307,   -0.2732604617985173 ]    - [   -0.2605875592294478,    0.2276143246879614,   -0.1618678909971480 ]    - [   -0.3684291592693402,   -0.0381426885315808,    0.0763698246950582 ]    - [    0.0897199132524535,   -0.4434791892413239,   -0.1208002016424436 ]    - [    0.0136333249849283,    0.1260875797302085,   -0.0928314120527845 ]    - [    0.0616750512491618,    0.0013629922820342,   -0.0961538787389413 ]    - [    0.0765840323848624,    0.0818660168187604,   -0.0630831670512625 ]    - [    0.0432424480129498,   -0.1720858779658910,   -0.1406584922593266 ]    - [    0.1489341964645859,   -0.2038147541706592,    0.0635247760878623 ]    - [   -0.1019486167175448,   -0.1832146197383848,   -0.1557784858090391 ]    - [    0.1708949379074642,    0.1110848454640557,    0.1224046495271157 ]    - [   -0.1698041262592487,    0.0787512557319746,   -0.0280882669818764 ]  - # 2    - [   -0.7573267259944987,    0.4882457267305340,    0.6430378566784292 ]    - [   -0.0362156941350955,   -0.0165961254312642,    0.0714487037059316 ]    - [   -0.9993202901221107,    0.6524973364018688,    0.8337986033614020 ]    - [    0.0053947860177281,   -0.0730521159641602,   -0.0362796117877711 ]    - [    0.1808458719037015,    0.2174996399790138,    0.2655586947020742 ]    - [    0.3974664857221545,    0.2580389773927719,    0.3589020211582644 ]    - [    0.9620150129415634,    0.5056536382015465,    0.6901757714304613 ]    - 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[    0.1071623381900045,   -0.4269886950595038,   -0.2810047568529679 ]    - [   -0.0059735531342339,   -0.3526575747848781,   -0.2277867680353221 ]    - [   -0.0822782463030485,   -1.0450490479502772,   -0.7346085998071268 ]    - [    0.2020195344551854,   -0.0978405412294912,    0.1017651078482675 ]    - [    0.6593856145499496,   -0.3952993299700369,    0.5291161464157865 ]    - [   -0.7182893557134444,    0.5140027860391795,   -0.6860778333238688 ]    - [   -0.5968631151367301,    0.3510071618843121,   -0.5849020099730535 ]    - [   -0.0339159353797732,    0.0786442019593609,   -0.1007131773460390 ]    - [    0.0966471658046137,    0.0773418869447766,   -0.0830488419509820 ]    - [   -0.5732402860679378,   -0.3242538002294011,    0.4185291499819210 ]    - [    0.5371011346317579,    0.3387192695675788,   -0.5641180851464407 ]    - [    0.1245358888362573,    0.0991635563475711,    0.1405705179562040 ]    - [    0.3435988955477797,    0.2182007192960507,    0.1920515287266061 ]    - [   -0.4096719469477541,   -0.2098553115148386,   -0.2734225098979641 ]    - [   -0.0608068503576599,    0.0735214608753064,    0.0632275544524092 ]    - [    0.0157210147213377,    0.2434518474922569,    0.2030169172303110 ]    - [   -0.0198046216337541,    0.4590070860039938,    0.3571120708951906 ]    - [   -0.0293851450737215,    0.3598931101705250,    0.2172898181947385 ]    - [    0.0305792856302186,    0.5759080908454410,    0.4005942613442556 ]    - [    0.0271001947729845,    0.7852721350632657,   -0.6038766401005322 ]    - [   -0.0415917596999250,   -0.5098635909938537,    0.3343000483555512 ]    - [    0.0227419563799873,    1.1362530486634443,   -0.8488398707422961 ]    - [    0.0219140834028049,    0.4758911942506658,   -0.4127405345371390 ]    - [   -0.3384598298715978,   -0.2442607610860280,   -0.3244402733482217 ]    - [   -0.3493043676060258,   -0.1959101885100239,   -0.2920669425353397 ]    - [   -1.0088450112159837,   -0.5779920244187892,   -0.8019481246331006 ]    - [    0.2998122706116771,    0.1877646772448623,    0.2769297037381915 ]    - [    0.7535066415164923,   -0.4734221039605461,   -0.6593127765818835 ]    - [   -0.0867527326908468,    0.0863482057915495,    0.0622892568347220 ]    - [    0.9429306863247886,   -0.5700727957767018,   -0.7913578839517363 ]    - [   -0.1059122285154584,    0.0698191551907233,    0.0866403163993487 ]    - [   -0.8683272455827188,   -0.5250541096292435,    0.7587788138302489 ]    - [   -0.0286121712655663,    0.0087526308507675,   -0.0020460494909796 ]    - [    0.0190483234068652,    0.0273402325039794,   -0.0720585670882322 ]    - [    1.3348554641242436,    0.7616364702279532,   -1.1291106256432386 ]    - [    0.0553169388953590,    1.1789771014506008,   -0.8857997318077372 ]    - [    0.0283921620610381,    0.6471842154344656,   -0.4528061174747496 ]    - [   -0.0152607119658291,   -0.1764546900615725,    0.2068432943827085 ]    - [    0.0122085954338998,    1.3643449479303036,   -1.0589889053808998 ]    - [    1.1583749382826025,   -0.6465486688136681,   -0.8904576305027443 ]    - [   -0.2878311954419507,    0.0888902460522743,    0.2686459790945107 ]    - [   -0.0148905925418950,   -0.0101194210485950,   -0.0138576769198718 ]    - [   -0.8112006532387662,    0.4900611325654902,    0.7207926719019750 ]    - [    0.1158624773423669,   -0.0924914333085397,    0.1380833747496091 ]    - [    0.9772798004620220,   -0.5797392091674805,    0.8335145725985035 ]    - [    0.3902338829012030,   -0.1782809775627019,    0.3119501299794361 ]    - [   -0.5175725005076433,    0.2458584915835018,   -0.3657954120651679 ]    - [   -0.0054182640943796,    0.5349206246431677,    0.4190152758204078 ]    - [   -0.0371344434258229,    0.4123447463633241,    0.3196231204067059 ]    - [    0.0075926310324968,    0.4478280475139103,    0.3296639048503930 ]    - [    0.0227527183551103,    0.9497289456532965,    0.7138628150966719 ]    - [   -0.2074090950762484,    0.1166129981330551,   -0.1632519200473995 ]    - [   -0.6471586765875872,    0.3780650159602101,   -0.5529888399185567 ]    - [    0.6634346525256541,   -0.4517244474286088,    0.6196952393019244 ]    - [    0.6540897041136502,   -0.3587552898874813,    0.5466107033970461 ]    - [   -0.0616700188104810,   -0.0766289367258846,    0.0807919663293302 ]    - [   -0.1132604785899212,   -0.0889107339667497,    0.0997752253221077 ]    - [    0.5230791705341388,    0.2888082738015087,   -0.3978101207794802 ]    - [   -0.4618144346770147,   -0.2747115623830002,    0.4467877490435828 ]    - [   -0.0447509438953582,   -0.0345389204781997,   -0.0108833703051617 ]    - [   -0.2294058482316285,   -0.1621354402381645,   -0.1621997805408357 ]    - [    0.3267430155539824,    0.1849624894390773,    0.2417475632378957 ]    - [   -0.1451235645299904,   -0.1145387503575555,   -0.1672605071465023 ]    - [    0.0441740482482054,   -0.4171128670514235,    0.0575443789995886 ]    - [   -0.1410618230352076,    0.0035722180476050,    0.2803306115675244 ]    - [    0.1584982760241781,   -0.0783137187022813,    0.1907494881352108 ]    - [    0.5619681966076081,   -0.0391787851310568,   -0.1907278570510940 ]    - [    0.3991877955317724,    0.1029569528993082,    0.0765702995320097 ]    - [   -0.5366530556413434,    0.0681204428491342,    0.0563707698714131 ]    - [   -0.2407296253274574,   -0.1371873790348337,    0.1732748069166785 ]    - [    0.1937533073443481,   -0.1900815633764150,    0.3788456765789432 ]    - [   -0.0278757320980172,    0.0017501390404110,   -0.1117545045245951 ]    - [    0.0371305635714044,    0.0362531795497469,   -0.1190887581239552 ]    - [    0.0243338366389768,    0.0602650638725033,   -0.1070414907624064 ]    - [   -0.0416105455640329,   -0.1302429028525892,    0.0333554582581829 ]    - [    0.0566937821452066,    0.0972284458799819,    0.1143314166178005 ]    - [   -0.0929330367585027,   -0.0619782964435411,   -0.1398911898172244 ]    - [    0.0250097890130996,    0.0281026470005257,    0.0781564508323856 ]    - [    0.1007025234193339,    0.0986871614690168,   -0.1142165509470530 ]  - # 3    - [    0.3080389177524796,    0.0017885618803995,   -0.2586082718874775 ]    - [    0.5742090268634457,   -0.4381279230625831,   -0.4731725156122076 ]    - [   -0.5213762105617133,    0.1717228271029769,    0.3369793695410395 ]    - [   -0.4592001788272206,    0.2550428098395014,    0.3790545728706718 ]    - [   -0.8852198730918757,   -0.5408600230873800,   -0.6978862288465036 ]    - [    0.1894508431954279,    0.1509902676815541,    0.0662364300097528 ]    - [   -0.9909524958662915,   -0.5558244593251243,   -0.8942235428264815 ]    - [    0.6638503611677238,    0.3988685663811375,    0.6416302584110136 ]    - [   -0.0446629121984412,    0.5478012018262433,   -0.5402209612258273 ]    - [   -0.0335263306546582,    0.3616361819884389,   -0.2251290321191219 ]    - [    0.1263491028963639,    0.0531870518087518,    0.0132560172990042 ]    - [   -0.0855672270216444,    0.6165932736016546,   -0.2870248144436478 ]    - [    0.0064659739535518,    0.6395201627098207,    0.3487213668806888 ]    - [    0.0630049614869923,    0.7230413754948792,    0.4157923145117052 ]    - [   -0.0462985312055452,   -1.6890032753273860,   -1.1540403286206511 ]    - [   -0.0587390060058338,   -0.9881003037971472,   -0.7749540672504878 ]    - [    1.2435675755076154,    0.8078535335559416,   -1.1415873152358587 ]    - [    0.0271258050129690,    0.0628500416343431,    0.0322125776512681 ]    - [    0.1039219955221876,   -0.0044982642302765,   -0.0860980824371958 ]    - [   -0.0688680121314316,   -0.0443187836724406,    0.1066729160608677 ]    - [    0.0020968768475186,    1.2441398711750913,   -0.9365016740747542 ]    - [    0.1270985439552008,   -1.0322623370488626,    0.8348276995834918 ]    - [    0.0710745791260838,   -0.8613262111094138,    0.6459120642564786 ]    - [   -0.0244687452238593,   -0.3303160412590219,    0.1513108207551098 ]    - [   -0.0781840594428261,    0.0594448262773425,    0.0931066498457074 ]    - [   -0.4329493153568571,    0.1684173224584530,    0.2309525738229237 ]    - [    0.1504928021181953,   -0.0075401715159579,   -0.1364031847913951 ]    - [   -0.3956114698970905,    0.4162209861290339,    0.4884176701330705 ]    - [    0.6501188326981097,   -0.4588832265817927,    0.6041655781281271 ]    - [    0.5556734297997568,   -0.4114306962160549,    0.4481513329958653 ]    - [    0.1861732034383113,    0.0430941974659993,    0.1268544834380262 ]    - [    0.2158978850836353,   -0.2349392841770563,    0.3363696425629805 ]    - [    0.0930357368169392,    0.2682184113797264,    0.1568552419325835 ]    - [   -0.0062643194946367,   -0.8092608249829283,   -0.5001655126310935 ]    - [   -0.0503595785877160,   -0.0186832415044416,   -0.1537120067159763 ]    - [    0.0150085009792950,   -0.2299453057955958,   -0.1728953611891972 ]    - [   -0.9411297296596942,    0.3882859345510990,   -0.6821338069887886 ]    - [    0.9992195858472145,   -0.5805230173801690,    0.7616524701049928 ]    - 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[    0.0448660837280842,    1.0231336743358204,    0.7702000404945288 ]    - [    0.0073981942358178,   -0.5646861806871023,    0.4897788658651935 ]    - [    0.0036003271114211,   -0.1620056126529955,    0.0917608055668433 ]    - [   -0.0449157391642642,    0.1287352776323049,   -0.0939039659669407 ]    - [    0.0325941854877577,   -0.5401778169027019,    0.3057510856653953 ]    - [    0.7825644535021652,    0.4475538616905305,    0.6460240528804608 ]    - [   -0.0028926057734190,   -0.0124415339336191,    0.0454246866642031 ]    - [    0.8825445635754834,    0.5373035148308920,    0.7984528249559646 ]    - [   -0.8132961067033750,   -0.4690237334945430,   -0.7305540237413829 ]    - [   -0.2678261179101595,    0.0711149058790105,    0.2467790593771243 ]    - [   -0.6283989534361392,    0.3913612135856090,    0.5103113716377244 ]    - [    0.3665515822800635,   -0.1469717670692198,   -0.2707764547677114 ]    - [    0.3334732406378314,   -0.1916095850806868,   -0.2985589502201313 ]    - 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[    1.1188726778123330,    0.6478645476326103,    0.9815645927905443 ]    - [   -0.1531916518111487,   -0.1474861626038622,   -0.4930859920341319 ]    - [   -0.3380811480079320,   -0.0339448963781828,   -0.4166072778124144 ]    - [    0.4786261192001788,   -0.1419834197672474,    0.2508762828410775 ]    - [   -0.2073255643866810,   -0.1410785703841109,   -0.3519881644953737 ]    - [    0.2602392031172105,   -0.0627685615081259,   -0.2492866331827939 ]    - [   -0.1175812147088156,   -0.1492778837341349,    0.5241163426219853 ]    - [    0.4892676466922077,    0.1957305531463902,   -0.1254268456841312 ]    - [    0.2552077407604187,    0.3297782780619487,    0.1890320950544004 ]    - [   -0.0465386231189701,   -0.0737825411940004,    0.1143590280005941 ]    - [   -0.0718489596827949,    0.0145746116068122,    0.1148928894419446 ]    - [    0.0667940750443631,   -0.0206294009946430,    0.1294776838586965 ]    - [    0.0405797445953942,    0.0264960757862727,   -0.1395410745596509 ]    - 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[   -0.0249609537210776,    0.0300289300280176,    0.0215146255543841 ]    - [    0.2481664276116978,    0.1963503511314406,    0.2191731491886572 ]    - [   -0.3035663159474282,   -0.0535765184154533,    0.2604887371120861 ]    - [    0.3824279177633070,    0.1880903466898629,   -0.4126513927831308 ]    - [    0.1888758571630654,    0.4984236091045835,    0.0988579902012070 ]    - [   -0.0822984141308739,   -0.0553834395902175,   -0.3149433995552431 ]    - [    0.2789439171503183,   -0.2632155432415044,    0.3177751192751623 ]    - [   -0.3133181896955914,    0.0911472075492594,   -0.1275496014134387 ]    - [   -0.3838880013930576,    0.4136698734253415,   -0.1388105577679819 ]    - [    0.0950468261353322,   -0.1562625093663543,    0.0242485000135240 ]    - [    0.0219748376499584,    0.1335824954666942,   -0.0632563708020101 ]    - [   -0.1336592722020834,    0.1190318273688935,   -0.0175358776774187 ]    - [    0.0682556948764507,    0.0041868200139267,   -0.0958276749496942 ]    - [    0.0573387434131063,   -0.1158525576366013,   -0.0146634846286338 ]    - [   -0.1315377835890291,    0.0075434817508040,   -0.0238271833678358 ]    - [    0.1671864502281594,   -0.0054101928317489,    0.0739404109404354 ]    - [    0.0445107306994563,    0.0988740651505009,   -0.1112005965755781 ]    - [   -0.0199854932150054,    0.1780816157408065,    0.0121153320285163 ]  - # 10    - [    0.4003699940239051,   -0.2509404727865527,   -0.2588590686866729 ]    - [    0.4043716186612087,   -0.1597173750208426,   -0.4181291518230135 ]    - [    0.8735964856370030,   -0.4433018798739677,   -0.8498975245311894 ]    - [   -0.2707417458100663,    0.2019802374925379,    0.2838652153293264 ]    - [   -0.5591000531571069,   -0.3809621582481405,   -0.6352765946090611 ]    - [    0.8596059711023591,    0.4358294855001247,    0.7630008194121672 ]    - [   -0.7864165827125572,   -0.3884791794469252,   -0.5921321400444618 ]    - [   -0.1045115056712858,   -0.0434199571408262,   -0.2278334041631416 ]    - 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[    0.1936272596157486,    0.0654214409066312,    0.0137238670270326 ]    - [    0.0314632435718408,    1.1803123581226411,    0.8314779058778252 ]    - [   -0.0293082135078667,   -0.6785055707215975,   -0.4854914977977977 ]    - [   -0.0101864297124731,    0.5687201681911627,    0.4150693583761125 ]    - [    0.0075541095105725,   -0.3094027264645409,   -0.1723065467672298 ]    - [   -0.0015408191161525,   -0.0323281711475631,    0.0050838472022900 ]    - [   -0.0026878577064220,   -0.3000751458403376,    0.1783609670391053 ]    - [    0.0115978872028061,   -1.2901917578092930,    0.9619842495354555 ]    - [   -0.0212924616034202,    1.4802775715153893,   -1.1290658287006143 ]    - [    0.5811441822948686,    0.3633529276131693,    0.5759855186144219 ]    - [   -0.8587935249331374,   -0.4916524148909395,   -0.7561609704582192 ]    - [    0.8446160664367187,    0.4504426145907102,    0.6669406018594055 ]    - [    0.2900167551139594,    0.1685405547107841,    0.2789989254806707 ]    - 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[   -0.5629461837328007,    0.3147083884489971,   -0.4478297119682760 ]    - [   -0.2468161382864097,    0.1234095931359986,   -0.1855006220840392 ]    - [    0.5218406136772645,    0.3287142189392123,   -0.4455191644525661 ]    - [   -1.0126990280840891,   -0.6405945470928429,    0.8417926489195290 ]    - [   -0.4121271205547932,   -0.2353926509681808,    0.3222406294198545 ]    - [   -0.3171868538941390,   -0.1677032016707159,    0.2944742320914587 ]    - [   -1.0228851131001560,   -0.5764159067425396,   -0.7971239539706578 ]    - [   -0.9003619266808128,   -0.5511901425338412,   -0.7921926470034170 ]    - [    0.7014718320891631,    0.4567378699788219,    0.6080292002005855 ]    - [   -0.1252552484188930,   -0.0438934207935218,   -0.0496546923638977 ]    - [   -0.4762061577831824,   -0.3893345109214605,    0.2575679933378368 ]    - [   -0.0709333299383568,   -0.1809194483513745,    0.2011169236919486 ]    - [   -0.3115391507936991,   -0.0177966545996044,   -0.0064331508009756 ]    - [   -0.3826204891414362,    0.0559073338923151,    0.3450305443309154 ]    - [    0.2782686108058972,   -0.1184380505240066,    0.1739072271312945 ]    - [   -0.0362578438301639,    0.0045515251227615,   -0.2870651847957104 ]    - [   -0.3209806967678842,   -0.1437856711929744,   -0.4150625028788597 ]    - [    0.1364338877606767,    0.4540046655860737,    0.1529694454782100 ]    - [    0.0210737023166746,   -0.0311648105505594,   -0.0973556282236005 ]    - [    0.1367289689310134,    0.0969360223218212,    0.0812754272137171 ]    - [   -0.0134160076603894,   -0.1537729846482468,   -0.0597427744931397 ]    - [    0.1108871844789974,    0.1674482756726202,   -0.1141699187090677 ]    - [   -0.1468803652510908,   -0.0592733151796589,    0.0345186801711756 ]    - [    0.0805426258137026,    0.2349433705184925,    0.0923749968316798 ]    - [   -0.1923866587746244,   -0.0675918110171374,   -0.1312926678456423 ]    - [   -0.0147564651856518,   -0.2271214207679854,    0.1002833567948962 ]  - # 11    - [   -0.7453898054338011,    0.4683969555938866,    0.5455591736101164 ]    - [   -0.1654701105938364,   -0.0103115730536468,   -0.0254179410053343 ]    - [    0.4075432077370590,   -0.2898503352493763,   -0.4210649983714613 ]    - [   -0.0079527711132270,   -0.0480398685880195,   -0.1540355780656628 ]    - [   -0.2102511681376299,   -0.1851551513230364,   -0.1578253265349847 ]    - [   -0.9021021862047842,   -0.4483401030090813,   -0.8425804394372218 ]    - [    0.2104158512953670,    0.1190908457619525,    0.0426138330804530 ]    - [    0.6479578016374687,    0.2912474948295967,    0.3835824100081635 ]    - [    0.1157643890145300,    0.3665400438775599,   -0.3305179417320265 ]    - [    0.0108741168666719,    1.3910538024806716,   -1.0932609011990420 ]    - [   -0.0448647787256042,    0.7139668763541067,   -0.4131538824712346 ]    - [   -0.0174281418820718,    0.0828588219057940,   -0.0996623918378949 ]    - [    0.0037082301367313,    1.0289110550469447,    0.8199646453101488 ]    - 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[    0.0310360980601405,   -0.0931649217651186,   -0.1213319654215700 ]  - # 16    - [    0.8493006461731846,   -0.4158885512218774,   -0.6735007003077507 ]    - [   -1.3351069110631739,    0.7561224043440903,    1.1756030064991017 ]    - [   -0.0212721985981126,   -0.0139325789286228,   -0.0760846683124622 ]    - [    0.1491582321850471,   -0.0890252633922521,   -0.0087759343614402 ]    - [   -1.0276201423140909,   -0.6641649790850034,   -0.7792989213269774 ]    - [   -0.2619707671491144,   -0.1054561863789052,   -0.1324411098194616 ]    - [   -0.6841598566236283,   -0.3981567568637109,   -0.4789265272389969 ]    - [   -0.2764149907778930,   -0.1584883066218610,   -0.3164892754937498 ]    - [    0.0217745715112350,   -0.2413813239827187,    0.0446738085037031 ]    - [   -0.0672748382193416,    0.4318985130299438,   -0.2857611359098018 ]    - [   -0.0033796601634336,   -0.8686516039777268,    0.7576176103308696 ]    - [   -0.0722989769280056,   -1.0393710066366504,    0.8305686533345069 ]    - 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[    0.2940947397214558,   -0.1489859264404583,    0.2702760178604358 ]    - [    0.0384109388745646,   -0.0427436467219547,    0.0345698286432036 ]    - [   -0.2227389168393941,   -0.1279392122829905,    0.1906372210848861 ]    - [    0.4427456251931658,    0.2353685421523823,   -0.3715713397904474 ]    - [    0.3056444850061162,    0.2071880347145106,   -0.2335990783298742 ]    - [   -0.3324671739038825,   -0.1969581062373658,    0.3224540114452376 ]    - [    1.4512325083254676,    0.8287306464934074,    1.2459516206273844 ]    - [   -0.0694603349217536,   -0.0342809039994473,   -0.0049891616884123 ]    - [    0.0258110897324042,    0.0185055878603435,    0.0345055266081157 ]    - [    0.3884956778093662,    0.1823145065705706,    0.3267845378260644 ]    - [    0.2543537087172050,   -0.4541726485688087,    0.4229149052380623 ]    - [   -0.3206240435503043,    0.1509501136164872,    0.2142774033665980 ]    - [   -0.2617959159675451,   -0.3025928249528658,    0.1429206038980109 ]    - 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[    1.2813485064602386,   -0.7394003163667993,    1.1025708402935206 ]    - [    0.0667662551500350,   -0.0566547937831447,    0.1154858772402588 ]    - [   -0.0489988720974384,   -0.2519728038192960,   -0.1391887026751194 ]    - [   -0.0059899929263447,   -1.2956202436472903,   -0.9509821162830415 ]    - [   -0.0357500378357570,   -0.8915979938437306,   -0.7098864025783554 ]    - [   -0.0311030762098524,   -0.6117011171986689,   -0.4097562538519604 ]    - [    0.4211296667849415,   -0.2176757955702400,    0.3519011933852875 ]    - [   -0.4027807808856963,    0.2407988574488185,   -0.3316538959693139 ]    - [    0.6877082857893918,   -0.3501837276412314,    0.5917125303971871 ]    - [   -0.5135503044540765,    0.2998366787317253,   -0.4313647046704776 ]    - [    1.1202402892217422,    0.6298420313668953,   -0.9270845148095949 ]    - [   -0.3666810703998355,   -0.2284514027871197,    0.2676472899000738 ]    - [    0.4863285266230163,    0.2836292094029718,   -0.4593332966523671 ]    - 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[    0.1577243371805357,    0.0046331093505351,   -0.0069866256856668 ]  - # 29    - [   -0.8172720762526575,    0.4626240007481409,    0.7833778969412941 ]    - [   -0.4807429144079582,    0.3084898233944309,    0.5872595218618886 ]    - [    0.3245958136063227,   -0.2215466247782836,   -0.2461848348863870 ]    - [    0.5833504078196392,   -0.4665152074242296,   -0.5924434337906872 ]    - [   -0.3886240908147951,   -0.1905216515935972,   -0.2750462985724491 ]    - [   -0.6954225870053975,   -0.4925886058125515,   -0.7520881259341948 ]    - [    0.7514594986801988,    0.4175090261805267,    0.5855504779452565 ]    - [    0.2720758166392652,    0.2446789373523597,    0.2598823950066764 ]    - [   -0.0326081218335362,   -1.4493407136158087,    1.0994879289829189 ]    - [   -0.0535364462317613,   -1.4348473654371285,    1.0145766827901650 ]    - [    0.1065903076290758,   -0.0218610752984714,    0.0747567742222275 ]    - [    0.0087967714236704,    1.0164313687983642,   -0.8070395178023233 ]    - 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[   -0.0433720429322164,   -0.2506736593851357,    0.0575362650314610 ]  - # 42    - [   -0.4217601878400347,    0.1503166330220950,    0.3020670467139845 ]    - [    0.3354175198236024,   -0.3469672080609125,   -0.2997857996173743 ]    - [   -0.4003272417696360,    0.2123261251981268,    0.2333904547045149 ]    - [   -0.1387096948213826,    0.0458557758473011,   -0.0086592944478272 ]    - [    0.5827373167787052,    0.2786405194062637,    0.4761763762314191 ]    - [   -0.7775707235415512,   -0.5132814458041424,   -0.6995202990457692 ]    - [   -0.5805845802090506,   -0.4655543231811776,   -0.5478638560945679 ]    - [   -0.4043074871895116,   -0.3333892021967948,   -0.4680728250340804 ]    - [    0.0047418635342620,   -0.6107931216845515,    0.2876639032134707 ]    - [   -0.0193286007287770,   -0.3352756005713866,    0.1091025657425690 ]    - [    0.0545808193547442,    1.4987638723802825,   -1.1292383328214779 ]    - [   -0.1073670261856260,    0.7128998805984232,   -0.5540658574012602 ]    - 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[    0.0031439799005661,    0.1272547450691010,   -0.1140485804296725 ]  - # 68    - [   -0.2181828378501005,    0.2489544933135888,    0.3144467628410372 ]    - [   -0.2012795939963294,    0.2127862188526877,    0.2274080088866788 ]    - [   -0.2218641707079169,    0.1313722337733951,    0.3402799903863281 ]    - [    0.0934929866563756,   -0.0537750505832133,    0.0446489247035964 ]    - [   -0.7905162515361056,   -0.5198079359513879,   -0.8315706962400741 ]    - [   -0.5297748308602215,   -0.4505286201471017,   -0.4448916886181325 ]    - [    0.1652191160798379,   -0.0105288073655982,    0.1500056471026691 ]    - [    0.3117406588572371,    0.0693993603530572,    0.1918190714500518 ]    - [    0.0462938012537790,   -0.1203891706284624,    0.0592383219279761 ]    - [   -0.0203580143481919,    1.2528089306879462,   -0.8653257986430203 ]    - [    0.0045679002273318,   -0.2376228031054226,    0.2420829406772222 ]    - [    0.0998168740049267,    1.6261025518466181,   -1.2456446016372311 ]    - 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[    0.1308644973098312,    0.0439796638000905,   -0.1666753238811751 ]  - # 81    - [   -0.4993532339708471,    0.2072684405328623,    0.3342313897206514 ]    - [   -1.4016805227192679,    0.7670645553577620,    1.1170244861793464 ]    - [   -0.7040071682114510,    0.4599377676741228,    0.5905855311866329 ]    - [    0.6737357821471006,   -0.4408432456160936,   -0.5852184047196913 ]    - [   -0.8143458358847551,   -0.4850767921623938,   -0.8364308464137667 ]    - [   -0.2674514664604601,   -0.1599513401506706,   -0.3541623712403503 ]    - [    0.1944986352655410,    0.1072760687348778,    0.2553145552845032 ]    - [    1.3880788650779707,    0.7770123028192235,    1.2217375634305201 ]    - [   -0.0073233038028221,   -0.2866163634850803,    0.2546672249587257 ]    - [   -0.0724882960652544,    0.2127880011729288,   -0.0167049693489461 ]    - [    0.0288446885674920,   -1.1095104845015573,    0.7423414434601456 ]    - [   -0.1214386652692340,    0.6287248704570825,   -0.4936149014990421 ]    - 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[    0.0425717527622683,    0.0639533956419600,    0.1190848743771400 ]    - [    0.1555449569221109,    0.0790580003138106,    0.0493018918788235 ]    - [    0.1224737201895778,   -0.0475563922678157,   -0.0502150794860112 ]    - [   -0.1286147967500308,   -0.0378408000668429,    0.1616479427862575 ]  supercell_energies:  - -982.4367267226105014 # 1  - -982.4448028514937050 # 2  - -982.4208196909982007 # 3  - -982.4269849721347327 # 4  - -982.3949718509803688 # 5  - -982.4436817193665092 # 6  - -982.4025805356552610 # 7  - -982.4068697171708209 # 8  - -982.4439567417155104 # 9  - -982.4516896858453947 # 10  - -982.4340384902917549 # 11  - -982.4151793480967854 # 12  - -982.3946273668592539 # 13  - -982.4498831131056704 # 14  - -982.4486825051347978 # 15  - -982.4375366960153997 # 16  - -982.3909755683059757 # 17  - -982.4156846818016220 # 18  - -982.4027632599162416 # 19  - -982.3989828439986240 # 20  - -982.4430647472920555 # 21  - -982.4112385116688984 # 22  - -982.4010235980744028 # 23  - 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