# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f6159959-eb4b-4385-90ca-c12a5a21698f/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 [Ab-initio phonon calculation for NaHO / Cmcm (63) / materials id 23891](https://mdr.nims.go.jp/datasets/cc668a53-e7f7-42b3-a5e0-9efba24f545e) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Cmcm" number: 63 Hall_symbol: "-C 2c 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 3, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 4 ]primitive_cell: lattice: - [ 1.703833235000000, -5.407594980000000, 0.000000000000000 ] # a - [ 1.703833235000000, 5.407594980000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.370390170000000 ] # c points: - symbol: H # 1 coordinates: [ 0.537813500000000, 0.462186500000000, 0.250000000000000 ] mass: 1.007940 - symbol: H # 2 coordinates: [ 0.462186500000000, 0.537813500000000, 0.750000000000000 ] mass: 1.007940 - symbol: O # 3 coordinates: [ 0.371794200000000, 0.628205800000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.628205800000000, 0.371794200000000, 0.250000000000000 ] mass: 15.999400 - symbol: Na # 5 coordinates: [ 0.840909290000000, 0.159090710000000, 0.250000000000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.159090710000000, 0.840909290000000, 0.750000000000000 ] mass: 22.989769 reciprocal_lattice: # without 2pi - [ 0.293455949636996, -0.092462546076260, 0.000000000000000 ] # a* - [ 0.293455949636996, 0.092462546076260, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.296701553695785 ] # c*unit_cell: lattice: - [ 3.407666470000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.815189960000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.370390170000000 ] # c points: - symbol: H # 1 coordinates: [ 0.000000000000000, 0.462186500000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.500000000000000, 0.037813500000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 2 - symbol: H # 3 coordinates: [ 0.500000000000000, 0.962186500000000, 0.250000000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 4 coordinates: [ 0.000000000000000, 0.537813500000000, 0.750000000000000 ] mass: 1.007940 reduced_to: 2 - symbol: O # 5 coordinates: [ 0.500000000000000, 0.128205800000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.000000000000000, 0.371794200000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.000000000000000, 0.628205800000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.500000000000000, 0.871794200000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 6 - symbol: Na # 9 coordinates: [ 0.000000000000000, 0.159090710000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.500000000000000, 0.340909290000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.500000000000000, 0.659090710000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 12 coordinates: [ 0.000000000000000, 0.840909290000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 10supercell: lattice: - [ 10.222999410000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.815189960000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.481560679999999 ] # c points: - symbol: H # 1 coordinates: [ 0.000000000000000, 0.462186500000000, 0.062500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.333333333333333, 0.462186500000000, 0.062500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 3 coordinates: [ 0.666666666666667, 0.462186500000000, 0.062500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 4 coordinates: [ 0.000000000000000, 0.462186500000000, 0.312500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 5 coordinates: [ 0.333333333333333, 0.462186500000000, 0.312500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 6 coordinates: [ 0.666666666666667, 0.462186500000000, 0.312500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 7 coordinates: [ 0.000000000000000, 0.462186500000000, 0.562500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 8 coordinates: [ 0.333333333333333, 0.462186500000000, 0.562500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 9 coordinates: [ 0.666666666666667, 0.462186500000000, 0.562500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 10 coordinates: [ 0.000000000000000, 0.462186500000000, 0.812500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 11 coordinates: [ 0.333333333333333, 0.462186500000000, 0.812500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 12 coordinates: [ 0.666666666666667, 0.462186500000000, 0.812500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 13 coordinates: [ 0.166666666666667, 0.037813500000000, 0.187500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.500000000000000, 0.037813500000000, 0.187500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 15 coordinates: [ 0.833333333333333, 0.037813500000000, 0.187500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 16 coordinates: [ 0.166666666666667, 0.037813500000000, 0.437500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 17 coordinates: [ 0.500000000000000, 0.037813500000000, 0.437500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 18 coordinates: [ 0.833333333333333, 0.037813500000000, 0.437500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 19 coordinates: [ 0.166666666666667, 0.037813500000000, 0.687500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 20 coordinates: [ 0.500000000000000, 0.037813500000000, 0.687500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 21 coordinates: [ 0.833333333333333, 0.037813500000000, 0.687500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 22 coordinates: [ 0.166666666666667, 0.037813500000000, 0.937500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 23 coordinates: [ 0.500000000000000, 0.037813500000000, 0.937500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 24 coordinates: [ 0.833333333333333, 0.037813500000000, 0.937500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 25 coordinates: [ 0.166666666666667, 0.962186500000000, 0.062500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 26 coordinates: [ 0.500000000000000, 0.962186500000000, 0.062500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 27 coordinates: [ 0.833333333333333, 0.962186500000000, 0.062500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 28 coordinates: [ 0.166666666666667, 0.962186500000000, 0.312500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 29 coordinates: [ 0.500000000000000, 0.962186500000000, 0.312500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 30 coordinates: [ 0.833333333333333, 0.962186500000000, 0.312500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 31 coordinates: [ 0.166666666666667, 0.962186500000000, 0.562500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 32 coordinates: [ 0.500000000000000, 0.962186500000000, 0.562500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 33 coordinates: [ 0.833333333333333, 0.962186500000000, 0.562500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 34 coordinates: [ 0.166666666666667, 0.962186500000000, 0.812500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 35 coordinates: [ 0.500000000000000, 0.962186500000000, 0.812500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 36 coordinates: [ 0.833333333333333, 0.962186500000000, 0.812500000000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 37 coordinates: [ 0.000000000000000, 0.537813500000000, 0.187500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 38 coordinates: [ 0.333333333333333, 0.537813500000000, 0.187500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 39 coordinates: [ 0.666666666666667, 0.537813500000000, 0.187500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 40 coordinates: [ 0.000000000000000, 0.537813500000000, 0.437500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 41 coordinates: [ 0.333333333333333, 0.537813500000000, 0.437500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 42 coordinates: [ 0.666666666666667, 0.537813500000000, 0.437500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 43 coordinates: [ 0.000000000000000, 0.537813500000000, 0.687500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 44 coordinates: [ 0.333333333333333, 0.537813500000000, 0.687500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 45 coordinates: [ 0.666666666666667, 0.537813500000000, 0.687500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 46 coordinates: [ 0.000000000000000, 0.537813500000000, 0.937500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 47 coordinates: [ 0.333333333333333, 0.537813500000000, 0.937500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 48 coordinates: [ 0.666666666666667, 0.537813500000000, 0.937500000000000 ] mass: 1.007940 reduced_to: 13 - symbol: O # 49 coordinates: [ 0.166666666666667, 0.128205800000000, 0.187500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.500000000000000, 0.128205800000000, 0.187500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.833333333333333, 0.128205800000000, 0.187500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.166666666666667, 0.128205800000000, 0.437500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.500000000000000, 0.128205800000000, 0.437500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.833333333333333, 0.128205800000000, 0.437500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.166666666666667, 0.128205800000000, 0.687500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.128205800000000, 0.687500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 57 coordinates: [ 0.833333333333333, 0.128205800000000, 0.687500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 58 coordinates: [ 0.166666666666667, 0.128205800000000, 0.937500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 59 coordinates: [ 0.500000000000000, 0.128205800000000, 0.937500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 60 coordinates: [ 0.833333333333333, 0.128205800000000, 0.937500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 61 coordinates: [ 0.000000000000000, 0.371794200000000, 0.062500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.333333333333333, 0.371794200000000, 0.062500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.666666666666667, 0.371794200000000, 0.062500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.000000000000000, 0.371794200000000, 0.312500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.333333333333333, 0.371794200000000, 0.312500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 66 coordinates: [ 0.666666666666667, 0.371794200000000, 0.312500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.371794200000000, 0.562500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 68 coordinates: [ 0.333333333333333, 0.371794200000000, 0.562500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 69 coordinates: [ 0.666666666666667, 0.371794200000000, 0.562500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 70 coordinates: [ 0.000000000000000, 0.371794200000000, 0.812500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 71 coordinates: [ 0.333333333333333, 0.371794200000000, 0.812500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 72 coordinates: [ 0.666666666666667, 0.371794200000000, 0.812500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.628205800000000, 0.187500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.333333333333333, 0.628205800000000, 0.187500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 75 coordinates: [ 0.666666666666667, 0.628205800000000, 0.187500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 76 coordinates: [ 0.000000000000000, 0.628205800000000, 0.437500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 77 coordinates: [ 0.333333333333333, 0.628205800000000, 0.437500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 78 coordinates: [ 0.666666666666667, 0.628205800000000, 0.437500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 79 coordinates: [ 0.000000000000000, 0.628205800000000, 0.687500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 80 coordinates: [ 0.333333333333333, 0.628205800000000, 0.687500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 81 coordinates: [ 0.666666666666667, 0.628205800000000, 0.687500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 82 coordinates: [ 0.000000000000000, 0.628205800000000, 0.937500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 83 coordinates: [ 0.333333333333333, 0.628205800000000, 0.937500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 84 coordinates: [ 0.666666666666667, 0.628205800000000, 0.937500000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 85 coordinates: [ 0.166666666666667, 0.871794200000000, 0.062500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.871794200000000, 0.062500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 87 coordinates: [ 0.833333333333333, 0.871794200000000, 0.062500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 88 coordinates: [ 0.166666666666667, 0.871794200000000, 0.312500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 89 coordinates: [ 0.500000000000000, 0.871794200000000, 0.312500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 90 coordinates: [ 0.833333333333333, 0.871794200000000, 0.312500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 91 coordinates: [ 0.166666666666667, 0.871794200000000, 0.562500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 92 coordinates: [ 0.500000000000000, 0.871794200000000, 0.562500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 93 coordinates: [ 0.833333333333333, 0.871794200000000, 0.562500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 94 coordinates: [ 0.166666666666667, 0.871794200000000, 0.812500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 95 coordinates: [ 0.500000000000000, 0.871794200000000, 0.812500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 96 coordinates: [ 0.833333333333333, 0.871794200000000, 0.812500000000000 ] mass: 15.999400 reduced_to: 61 - symbol: Na # 97 coordinates: [ 0.000000000000000, 0.159090710000000, 0.062500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 98 coordinates: [ 0.333333333333333, 0.159090710000000, 0.062500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 99 coordinates: [ 0.666666666666667, 0.159090710000000, 0.062500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 100 coordinates: [ 0.000000000000000, 0.159090710000000, 0.312500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 101 coordinates: [ 0.333333333333333, 0.159090710000000, 0.312500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 102 coordinates: [ 0.666666666666667, 0.159090710000000, 0.312500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 103 coordinates: [ 0.000000000000000, 0.159090710000000, 0.562500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 104 coordinates: [ 0.333333333333333, 0.159090710000000, 0.562500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 105 coordinates: [ 0.666666666666667, 0.159090710000000, 0.562500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 106 coordinates: [ 0.000000000000000, 0.159090710000000, 0.812500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 107 coordinates: [ 0.333333333333333, 0.159090710000000, 0.812500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 108 coordinates: [ 0.666666666666667, 0.159090710000000, 0.812500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 109 coordinates: [ 0.166666666666667, 0.340909290000000, 0.187500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 110 coordinates: [ 0.500000000000000, 0.340909290000000, 0.187500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 111 coordinates: [ 0.833333333333333, 0.340909290000000, 0.187500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 112 coordinates: [ 0.166666666666667, 0.340909290000000, 0.437500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 113 coordinates: [ 0.500000000000000, 0.340909290000000, 0.437500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 114 coordinates: [ 0.833333333333333, 0.340909290000000, 0.437500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 115 coordinates: [ 0.166666666666667, 0.340909290000000, 0.687500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 116 coordinates: [ 0.500000000000000, 0.340909290000000, 0.687500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 117 coordinates: [ 0.833333333333333, 0.340909290000000, 0.687500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 118 coordinates: [ 0.166666666666667, 0.340909290000000, 0.937500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 119 coordinates: [ 0.500000000000000, 0.340909290000000, 0.937500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 120 coordinates: [ 0.833333333333333, 0.340909290000000, 0.937500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 121 coordinates: [ 0.166666666666667, 0.659090710000000, 0.062500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 122 coordinates: [ 0.500000000000000, 0.659090710000000, 0.062500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 123 coordinates: [ 0.833333333333333, 0.659090710000000, 0.062500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 124 coordinates: [ 0.166666666666667, 0.659090710000000, 0.312500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 125 coordinates: [ 0.500000000000000, 0.659090710000000, 0.312500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 126 coordinates: [ 0.833333333333333, 0.659090710000000, 0.312500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 127 coordinates: [ 0.166666666666667, 0.659090710000000, 0.562500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 128 coordinates: [ 0.500000000000000, 0.659090710000000, 0.562500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 129 coordinates: [ 0.833333333333333, 0.659090710000000, 0.562500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 130 coordinates: [ 0.166666666666667, 0.659090710000000, 0.812500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 131 coordinates: [ 0.500000000000000, 0.659090710000000, 0.812500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 132 coordinates: [ 0.833333333333333, 0.659090710000000, 0.812500000000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 133 coordinates: [ 0.000000000000000, 0.840909290000000, 0.187500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 134 coordinates: [ 0.333333333333333, 0.840909290000000, 0.187500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 135 coordinates: [ 0.666666666666667, 0.840909290000000, 0.187500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 136 coordinates: [ 0.000000000000000, 0.840909290000000, 0.437500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 137 coordinates: [ 0.333333333333333, 0.840909290000000, 0.437500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 138 coordinates: [ 0.666666666666667, 0.840909290000000, 0.437500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 139 coordinates: [ 0.000000000000000, 0.840909290000000, 0.687500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 140 coordinates: [ 0.333333333333333, 0.840909290000000, 0.687500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 141 coordinates: [ 0.666666666666667, 0.840909290000000, 0.687500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 142 coordinates: [ 0.000000000000000, 0.840909290000000, 0.937500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 143 coordinates: [ 0.333333333333333, 0.840909290000000, 0.937500000000000 ] mass: 22.989769 reduced_to: 109 - symbol: Na # 144 coordinates: [ 0.666666666666667, 0.840909290000000, 0.937500000000000 ] mass: 22.989769 reduced_to: 109born_effective_charge:- # 1 (H) - [ 0.250702010000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 0.161083040000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.482716940000000 ]- # 2 (H) - [ 0.250702010000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 0.161083040000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.482716940000000 ]- # 3 (O) - [ -1.264571980000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.240686500000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.463676150000000 ]- # 4 (O) - [ -1.264571980000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.240686500000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.463676150000000 ]- # 5 (Na) - [ 1.013869970000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.079603460000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.980959210000000 ]- # 6 (Na) - [ 1.013869970000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.079603460000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.980959210000000 ]dielectric_constant: - [ 2.390177300000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.385610060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.558126800000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0105710100000000, -0.0031909000000000, 0.0000000000000000 ] - [ 0.0008065500000000, -0.0005267400000000, 0.0000000000000000 ] - [ 0.0007890000000000, -0.0011435000000000, 0.0000000000000000 ] - [ -0.0001239800000000, -0.0008318000000000, -0.0000034500000000 ] - [ 0.0000383500000000, -0.0008308500000000, 0.0000926400000000 ] - [ 0.0000276800000000, -0.0008371500000000, -0.0000910200000000 ] - [ -0.0000061700000000, -0.0008344700000000, 0.0000000000000000 ] - [ 0.0000087200000000, -0.0008344400000000, 0.0000000000000000 ] - [ -0.0000025400000000, -0.0008361100000000, 0.0000000000000000 ] - [ -0.0001239800000000, -0.0008318000000000, 0.0000034500000000 ] - [ 0.0000383500000000, -0.0008308500000000, -0.0000926400000000 ] - [ 0.0000276800000000, -0.0008371500000000, 0.0000910200000000 ] - [ 0.0000642600000000, 0.0008035300000000, 0.0000951500000000 ] - [ -0.0000275400000000, 0.0008275800000000, -0.0000003800000000 ] - [ 0.0000756600000000, 0.0008572800000000, -0.0000961600000000 ] - [ -0.0000022600000000, 0.0008297900000000, -0.0000068500000000 ] - [ -0.0000054600000000, 0.0008295200000000, 0.0000007000000000 ] - [ 0.0000090100000000, 0.0008209900000000, 0.0000070400000000 ] - [ -0.0000022600000000, 0.0008297900000000, 0.0000068500000000 ] - [ -0.0000054600000000, 0.0008295200000000, -0.0000007000000000 ] - [ 0.0000090100000000, 0.0008209900000000, -0.0000070400000000 ] - [ 0.0000642600000000, 0.0008035300000000, -0.0000951500000000 ] - [ -0.0000275400000000, 0.0008275800000000, 0.0000003800000000 ] - [ 0.0000756600000000, 0.0008572800000000, 0.0000961600000000 ] - [ 0.0000027700000000, -0.0008290900000000, 0.0000000000000000 ] - [ -0.0000176700000000, -0.0008283100000000, 0.0000000000000000 ] - [ 0.0000137200000000, -0.0008380900000000, 0.0000000000000000 ] - [ 0.0000084000000000, -0.0008156200000000, -0.0000300300000000 ] - [ -0.0000148000000000, -0.0008442300000000, 0.0000005000000000 ] - [ 0.0000193800000000, -0.0008478400000000, 0.0000317200000000 ] - [ -0.0000044600000000, -0.0008369900000000, 0.0000000000000000 ] - [ -0.0000023300000000, -0.0008275200000000, 0.0000000000000000 ] - [ 0.0000067900000000, -0.0008277400000000, 0.0000000000000000 ] - [ 0.0000084000000000, -0.0008156200000000, 0.0000300300000000 ] - [ -0.0000148000000000, -0.0008442300000000, -0.0000005000000000 ] - [ 0.0000193800000000, -0.0008478400000000, -0.0000317200000000 ] - [ -0.0030554500000000, 0.0008203300000000, -0.0000484200000000 ] - [ 0.0002472600000000, 0.0007826800000000, 0.0002075000000000 ] - [ 0.0002361800000000, 0.0008778700000000, -0.0002028500000000 ] - [ -0.0000059400000000, 0.0008262500000000, -0.0000004800000000 ] - [ 0.0000096700000000, 0.0008316500000000, 0.0000267700000000 ] - [ -0.0000013500000000, 0.0008241500000000, -0.0000258900000000 ] - [ -0.0000059400000000, 0.0008262500000000, 0.0000004800000000 ] - [ 0.0000096700000000, 0.0008316500000000, -0.0000267700000000 ] - [ -0.0000013500000000, 0.0008241500000000, 0.0000258900000000 ] - [ -0.0030554500000000, 0.0008203300000000, 0.0000484200000000 ] - [ 0.0002472600000000, 0.0007826800000000, -0.0002075000000000 ] - [ 0.0002361800000000, 0.0008778700000000, 0.0002028500000000 ] - [ 0.0001149500000000, -0.0005825800000000, 0.0002080800000000 ] - [ -0.0000043600000000, -0.0002935400000000, -0.0000014400000000 ] - [ 0.0000816200000000, 0.0000043200000000, -0.0002087300000000 ] - [ 0.0000181900000000, -0.0002725600000000, 0.0000219700000000 ] - [ -0.0000076100000000, -0.0002965400000000, -0.0000006900000000 ] - [ -0.0000114100000000, -0.0003033500000000, -0.0000225700000000 ] - [ 0.0000181900000000, -0.0002725600000000, -0.0000219700000000 ] - [ -0.0000076100000000, -0.0002965400000000, 0.0000006900000000 ] - [ -0.0000114100000000, -0.0003033500000000, 0.0000225700000000 ] - [ 0.0001149500000000, -0.0005825800000000, -0.0002080800000000 ] - [ -0.0000043600000000, -0.0002935400000000, 0.0000014400000000 ] - [ 0.0000816200000000, 0.0000043200000000, 0.0002087300000000 ] - [ 0.0043998800000000, 0.0026588700000000, 0.0000000000000000 ] - [ -0.0015766800000000, 0.0011587400000000, 0.0000000000000000 ] - [ -0.0015164700000000, -0.0005419200000000, 0.0000000000000000 ] - [ 0.0003499300000000, 0.0002990500000000, 0.0000024900000000 ] - [ -0.0001227800000000, 0.0003886900000000, -0.0002259000000000 ] - [ -0.0000964600000000, 0.0002030300000000, 0.0002178100000000 ] - [ 0.0000211400000000, 0.0002997600000000, 0.0000000000000000 ] - [ -0.0000240600000000, 0.0003103000000000, 0.0000000000000000 ] - [ 0.0000023700000000, 0.0002845500000000, 0.0000000000000000 ] - [ 0.0003499300000000, 0.0002990500000000, -0.0000024900000000 ] - [ -0.0001227800000000, 0.0003886900000000, 0.0002259000000000 ] - [ -0.0000964600000000, 0.0002030300000000, -0.0002178100000000 ] - [ 0.0031268400000000, -0.0002734400000000, 0.0000330300000000 ] - [ -0.0004933000000000, -0.0005785000000000, -0.0003930800000000 ] - [ -0.0004705300000000, -0.0000147900000000, 0.0003873500000000 ] - [ 0.0000198800000000, -0.0002911400000000, 0.0000029600000000 ] - [ -0.0000266200000000, -0.0003197900000000, -0.0000664700000000 ] - [ -0.0000007200000000, -0.0002644100000000, 0.0000656100000000 ] - [ 0.0000198800000000, -0.0002911400000000, -0.0000029600000000 ] - [ -0.0000266200000000, -0.0003197900000000, 0.0000664700000000 ] - [ -0.0000007200000000, -0.0002644100000000, -0.0000656100000000 ] - [ 0.0031268400000000, -0.0002734400000000, -0.0000330300000000 ] - [ -0.0004933000000000, -0.0005785000000000, 0.0003930800000000 ] - [ -0.0004705300000000, -0.0000147900000000, -0.0003873500000000 ] - [ 0.0000469200000000, 0.0001031000000000, 0.0000000000000000 ] - [ -0.0000644100000000, 0.0002923800000000, 0.0000000000000000 ] - [ 0.0000138200000000, 0.0004944700000000, 0.0000000000000000 ] - [ 0.0000284900000000, 0.0002463800000000, 0.0000163500000000 ] - [ -0.0000246700000000, 0.0003166100000000, -0.0000004300000000 ] - [ -0.0000030200000000, 0.0003412600000000, -0.0000146900000000 ] - [ 0.0000187400000000, 0.0002997700000000, 0.0000000000000000 ] - [ -0.0000087300000000, 0.0002902900000000, 0.0000000000000000 ] - [ -0.0000103200000000, 0.0002992600000000, 0.0000000000000000 ] - [ 0.0000284900000000, 0.0002463800000000, -0.0000163500000000 ] - [ -0.0000246700000000, 0.0003166100000000, 0.0000004300000000 ] - [ -0.0000030200000000, 0.0003412600000000, 0.0000146900000000 ] - [ 0.0010864200000000, -0.0000757500000000, 0.0000000000000000 ] - [ -0.0002863900000000, -0.0001887500000000, 0.0000000000000000 ] - [ -0.0001375100000000, 0.0001086100000000, 0.0000000000000000 ] - [ 0.0000442200000000, -0.0000445700000000, 0.0000000600000000 ] - [ -0.0000880500000000, -0.0001041700000000, 0.0000011800000000 ] - [ 0.0000623300000000, 0.0000315900000000, 0.0000009600000000 ] - [ -0.0000016200000000, -0.0000446900000000, 0.0000000000000000 ] - [ -0.0000738000000000, -0.0000500100000000, 0.0000000000000000 ] - [ 0.0000755900000000, -0.0000210800000000, 0.0000000000000000 ] - [ 0.0000442200000000, -0.0000445700000000, -0.0000000600000000 ] - [ -0.0000880500000000, -0.0001041700000000, -0.0000011800000000 ] - [ 0.0000623300000000, 0.0000315900000000, -0.0000009600000000 ] - [ 0.0008758600000000, -0.0021938300000000, 0.0016969900000000 ] - [ 0.0003464200000000, 0.0000435800000000, 0.0000044600000000 ] - [ 0.0007307300000000, 0.0022574600000000, -0.0016560700000000 ] - [ 0.0000388200000000, 0.0000176500000000, 0.0000272800000000 ] - [ 0.0000692200000000, 0.0000443500000000, 0.0000011400000000 ] - [ -0.0001081300000000, 0.0000533000000000, -0.0000259400000000 ] - [ 0.0000388200000000, 0.0000176500000000, -0.0000272800000000 ] - [ 0.0000692200000000, 0.0000443500000000, -0.0000011400000000 ] - [ -0.0001081300000000, 0.0000533000000000, 0.0000259400000000 ] - [ 0.0008758600000000, -0.0021938300000000, -0.0016969900000000 ] - [ 0.0003464200000000, 0.0000435800000000, -0.0000044600000000 ] - [ 0.0007307300000000, 0.0022574600000000, 0.0016560700000000 ] - [ 0.0014152800000000, 0.0033915000000000, 0.0000000000000000 ] - [ 0.0003631600000000, -0.0000422900000000, 0.0000000000000000 ] - [ 0.0012894900000000, -0.0034413300000000, 0.0000000000000000 ] - [ -0.0000089000000000, 0.0000681400000000, 0.0001333200000000 ] - [ 0.0001664800000000, -0.0000427300000000, 0.0000008700000000 ] - [ -0.0001496800000000, -0.0001379100000000, -0.0001369100000000 ] - [ 0.0000531400000000, -0.0000258600000000, 0.0000000000000000 ] - [ 0.0000407000000000, -0.0000447600000000, 0.0000000000000000 ] - [ -0.0000940300000000, -0.0000431500000000, 0.0000000000000000 ] - [ -0.0000089000000000, 0.0000681400000000, -0.0001333200000000 ] - [ 0.0001664800000000, -0.0000427300000000, -0.0000008700000000 ] - [ -0.0001496800000000, -0.0001379100000000, 0.0001369100000000 ] - [ -0.0000272700000000, 0.0000382900000000, -0.0000004500000000 ] - [ -0.0000553200000000, 0.0001773900000000, 0.0000336700000000 ] - [ 0.0000964500000000, -0.0001094500000000, -0.0000332600000000 ] - [ -0.0000006900000000, 0.0000423000000000, -0.0000009700000000 ] - [ -0.0000741000000000, 0.0000552800000000, 0.0000060100000000 ] - [ 0.0000761100000000, 0.0000114400000000, -0.0000069200000000 ] - [ -0.0000006900000000, 0.0000423000000000, 0.0000009700000000 ] - [ -0.0000741000000000, 0.0000552800000000, -0.0000060100000000 ] - [ 0.0000761100000000, 0.0000114400000000, 0.0000069200000000 ] - [ -0.0000272700000000, 0.0000382900000000, 0.0000004500000000 ] - [ -0.0000553200000000, 0.0001773900000000, -0.0000336700000000 ] - [ 0.0000964500000000, -0.0001094500000000, 0.0000332600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.4491672400000000, 0.0000000000000000 ] - [ -0.0002973700000000, -0.0010560700000000, 0.0000000000000000 ] - [ 0.0002973700000000, -0.0010560700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012556200000000, -0.0000332100000000 ] - [ 0.0000032400000000, -0.0008800700000000, -0.0000354400000000 ] - [ -0.0000032400000000, -0.0008800700000000, -0.0000354400000000 ] - [ 0.0000000000000000, -0.0008921700000000, 0.0000000000000000 ] - [ 0.0000083100000000, -0.0008451300000000, 0.0000000000000000 ] - [ -0.0000083100000000, -0.0008451300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012556200000000, 0.0000332100000000 ] - [ 0.0000032400000000, -0.0008800700000000, 0.0000354400000000 ] - [ -0.0000032400000000, -0.0008800700000000, 0.0000354400000000 ] - [ -0.0000329000000000, 0.0007972200000000, -0.0000103600000000 ] - [ 0.0000000000000000, 0.0008270200000000, 0.0000100400000000 ] - [ 0.0000329000000000, 0.0007972200000000, -0.0000103600000000 ] - [ -0.0000013300000000, 0.0008457700000000, 0.0000233700000000 ] - [ 0.0000000000000000, 0.0008311300000000, 0.0000026200000000 ] - [ 0.0000013300000000, 0.0008457700000000, 0.0000233700000000 ] - [ -0.0000013300000000, 0.0008457700000000, -0.0000233700000000 ] - [ 0.0000000000000000, 0.0008311300000000, -0.0000026200000000 ] - [ 0.0000013300000000, 0.0008457700000000, -0.0000233700000000 ] - [ -0.0000329000000000, 0.0007972200000000, 0.0000103600000000 ] - [ 0.0000000000000000, 0.0008270200000000, -0.0000100400000000 ] - [ 0.0000329000000000, 0.0007972200000000, 0.0000103600000000 ] - [ -0.0000134200000000, -0.0008289700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007948000000000, 0.0000000000000000 ] - [ 0.0000134200000000, -0.0008289700000000, 0.0000000000000000 ] - [ -0.0000230600000000, -0.0008183800000000, -0.0000015000000000 ] - [ 0.0000000000000000, -0.0008083900000000, -0.0000082800000000 ] - [ 0.0000230600000000, -0.0008183800000000, -0.0000015000000000 ] - [ -0.0000060700000000, -0.0008214900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008169100000000, 0.0000000000000000 ] - [ 0.0000060700000000, -0.0008214900000000, 0.0000000000000000 ] - [ -0.0000230600000000, -0.0008183800000000, 0.0000015000000000 ] - [ 0.0000000000000000, -0.0008083900000000, 0.0000082800000000 ] - [ 0.0000230600000000, -0.0008183800000000, 0.0000015000000000 ] - [ 0.0000000000000000, -0.0008138900000000, 0.0014954900000000 ] - [ -0.0000436100000000, 0.0007712600000000, -0.0001136300000000 ] - [ 0.0000436100000000, 0.0007712600000000, -0.0001136300000000 ] - [ 0.0000000000000000, 0.0007213000000000, -0.0000146000000000 ] - [ 0.0000123800000000, 0.0008064100000000, -0.0000234500000000 ] - [ -0.0000123800000000, 0.0008064100000000, -0.0000234500000000 ] - [ 0.0000000000000000, 0.0007213000000000, 0.0000146000000000 ] - [ 0.0000123800000000, 0.0008064100000000, 0.0000234500000000 ] - [ -0.0000123800000000, 0.0008064100000000, 0.0000234500000000 ] - [ 0.0000000000000000, -0.0008138900000000, -0.0014954900000000 ] - [ -0.0000436100000000, 0.0007712600000000, 0.0001136300000000 ] - [ 0.0000436100000000, 0.0007712600000000, 0.0001136300000000 ] - [ -0.0000901800000000, -0.0004619700000000, -0.0000753900000000 ] - [ 0.0000000000000000, -0.0004541800000000, 0.0000430300000000 ] - [ 0.0000901800000000, -0.0004619700000000, -0.0000753900000000 ] - [ 0.0000129900000000, -0.0003873300000000, -0.0000078100000000 ] - [ 0.0000000000000000, -0.0003423300000000, 0.0000159700000000 ] - [ -0.0000129900000000, -0.0003873300000000, -0.0000078100000000 ] - [ 0.0000129900000000, -0.0003873300000000, 0.0000078100000000 ] - [ 0.0000000000000000, -0.0003423300000000, -0.0000159700000000 ] - [ -0.0000129900000000, -0.0003873300000000, 0.0000078100000000 ] - [ -0.0000901800000000, -0.0004619700000000, 0.0000753900000000 ] - [ 0.0000000000000000, -0.0004541800000000, -0.0000430300000000 ] - [ 0.0000901800000000, -0.0004619700000000, 0.0000753900000000 ] - [ 0.0000000000000000, 0.4474934700000000, 0.0000000000000000 ] - [ 0.0009503300000000, 0.0000907000000000, 0.0000000000000000 ] - [ -0.0009503300000000, 0.0000907000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004194500000000, 0.0009476900000000 ] - [ 0.0000659700000000, 0.0003146700000000, 0.0002025300000000 ] - [ -0.0000659700000000, 0.0003146700000000, 0.0002025300000000 ] - [ 0.0000000000000000, 0.0003689900000000, 0.0000000000000000 ] - [ -0.0000169500000000, 0.0003090800000000, 0.0000000000000000 ] - [ 0.0000169500000000, 0.0003090800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004194500000000, -0.0009476900000000 ] - [ 0.0000659700000000, 0.0003146700000000, -0.0002025300000000 ] - [ -0.0000659700000000, 0.0003146700000000, -0.0002025300000000 ] - [ 0.0000000000000000, -0.0000301400000000, -0.0023581100000000 ] - [ -0.0001997900000000, -0.0000383900000000, 0.0001075500000000 ] - [ 0.0001997900000000, -0.0000383900000000, 0.0001075500000000 ] - [ 0.0000000000000000, -0.0001564000000000, -0.0003256600000000 ] - [ -0.0000797000000000, -0.0002223800000000, 0.0000055600000000 ] - [ 0.0000797000000000, -0.0002223800000000, 0.0000055600000000 ] - [ 0.0000000000000000, -0.0001564000000000, 0.0003256600000000 ] - [ -0.0000797000000000, -0.0002223800000000, -0.0000055600000000 ] - [ 0.0000797000000000, -0.0002223800000000, -0.0000055600000000 ] - [ 0.0000000000000000, -0.0000301400000000, 0.0023581100000000 ] - [ -0.0001997900000000, -0.0000383900000000, -0.0001075500000000 ] - [ 0.0001997900000000, -0.0000383900000000, -0.0001075500000000 ] - [ -0.0001664500000000, 0.0000285700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002773300000000, 0.0000000000000000 ] - [ 0.0001664500000000, 0.0000285700000000, 0.0000000000000000 ] - [ -0.0000766200000000, 0.0001342300000000, -0.0000848500000000 ] - [ 0.0000000000000000, 0.0002819800000000, 0.0000054300000000 ] - [ 0.0000766200000000, 0.0001342300000000, -0.0000848500000000 ] - [ -0.0000110000000000, 0.0002552500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002775800000000, 0.0000000000000000 ] - [ 0.0000110000000000, 0.0002552500000000, 0.0000000000000000 ] - [ -0.0000766200000000, 0.0001342300000000, 0.0000848500000000 ] - [ 0.0000000000000000, 0.0002819800000000, -0.0000054300000000 ] - [ 0.0000766200000000, 0.0001342300000000, 0.0000848500000000 ] - [ 0.0000000000000000, -0.0015937600000000, 0.0000000000000000 ] - [ -0.0000491900000000, 0.0002571700000000, 0.0000000000000000 ] - [ 0.0000491900000000, 0.0002571700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001598200000000, -0.0000287200000000 ] - [ -0.0000590100000000, 0.0000702600000000, -0.0000338300000000 ] - [ 0.0000590100000000, 0.0000702600000000, -0.0000338300000000 ] - [ 0.0000000000000000, -0.0000024400000000, 0.0000000000000000 ] - [ -0.0000647600000000, -0.0000045900000000, 0.0000000000000000 ] - [ 0.0000647600000000, -0.0000045900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001598200000000, 0.0000287200000000 ] - [ -0.0000590100000000, 0.0000702600000000, 0.0000338300000000 ] - [ 0.0000590100000000, 0.0000702600000000, 0.0000338300000000 ] - [ -0.0006486500000000, 0.0012858200000000, -0.0009444500000000 ] - [ 0.0000000000000000, 0.0001001900000000, -0.0001775900000000 ] - [ 0.0006486500000000, 0.0012858200000000, -0.0009444500000000 ] - [ 0.0000502700000000, 0.0000416300000000, -0.0000824300000000 ] - [ 0.0000000000000000, 0.0000573800000000, -0.0000493400000000 ] - [ -0.0000502700000000, 0.0000416300000000, -0.0000824300000000 ] - [ 0.0000502700000000, 0.0000416300000000, 0.0000824300000000 ] - [ 0.0000000000000000, 0.0000573800000000, 0.0000493400000000 ] - [ -0.0000502700000000, 0.0000416300000000, 0.0000824300000000 ] - [ -0.0006486500000000, 0.0012858200000000, 0.0009444500000000 ] - [ 0.0000000000000000, 0.0001001900000000, 0.0001775900000000 ] - [ 0.0006486500000000, 0.0012858200000000, 0.0009444500000000 ] - [ 0.0020848800000000, 0.0006053300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001989100000000, 0.0000000000000000 ] - [ -0.0020848800000000, 0.0006053300000000, 0.0000000000000000 ] - [ 0.0004798200000000, -0.0001010600000000, 0.0002367300000000 ] - [ 0.0000000000000000, -0.0001007500000000, -0.0000252200000000 ] - [ -0.0004798200000000, -0.0001010600000000, 0.0002367300000000 ] - [ 0.0001374900000000, -0.0000581000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000661900000000, 0.0000000000000000 ] - [ -0.0001374900000000, -0.0000581000000000, 0.0000000000000000 ] - [ 0.0004798200000000, -0.0001010600000000, -0.0002367300000000 ] - [ 0.0000000000000000, -0.0001007500000000, 0.0000252200000000 ] - [ -0.0004798200000000, -0.0001010600000000, -0.0002367300000000 ] - [ 0.0000000000000000, 0.0006017000000000, 0.0000782800000000 ] - [ 0.0000448900000000, 0.0000387300000000, 0.0000192000000000 ] - [ -0.0000448900000000, 0.0000387300000000, 0.0000192000000000 ] - [ 0.0000000000000000, 0.0001203300000000, 0.0000871300000000 ] - [ -0.0000331100000000, 0.0000371600000000, 0.0000200500000000 ] - [ 0.0000331100000000, 0.0000371600000000, 0.0000200500000000 ] - [ 0.0000000000000000, 0.0001203300000000, -0.0000871300000000 ] - [ -0.0000331100000000, 0.0000371600000000, -0.0000200500000000 ] - [ 0.0000331100000000, 0.0000371600000000, -0.0000200500000000 ] - [ 0.0000000000000000, 0.0006017000000000, -0.0000782800000000 ] - [ 0.0000448900000000, 0.0000387300000000, -0.0000192000000000 ] - [ -0.0000448900000000, 0.0000387300000000, -0.0000192000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.4823929800000000, 0.0000000000000000 ] - [ 0.0003043700000000, -0.0006145000000000, 0.0000000000000000 ] - [ -0.0003043700000000, -0.0006145000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004139200000000, 0.0000384600000000 ] - [ 0.0000085100000000, -0.0007820100000000, 0.0000346800000000 ] - [ -0.0000085100000000, -0.0007820100000000, 0.0000346800000000 ] - [ 0.0000000000000000, -0.0007605400000000, 0.0000000000000000 ] - [ 0.0000031600000000, -0.0008108000000000, 0.0000000000000000 ] - [ -0.0000031600000000, -0.0008108000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004139200000000, -0.0000384600000000 ] - [ 0.0000085100000000, -0.0007820100000000, -0.0000346800000000 ] - [ -0.0000085100000000, -0.0007820100000000, -0.0000346800000000 ] - [ 0.0000224700000000, 0.0008652500000000, 0.0000111100000000 ] - [ 0.0000000000000000, 0.0008325200000000, -0.0000099100000000 ] - [ -0.0000224700000000, 0.0008652500000000, 0.0000111100000000 ] - [ -0.0000098800000000, 0.0008190300000000, -0.0000236300000000 ] - [ 0.0000000000000000, 0.0008262700000000, -0.0000029300000000 ] - [ 0.0000098800000000, 0.0008190300000000, -0.0000236300000000 ] - [ -0.0000098800000000, 0.0008190300000000, 0.0000236300000000 ] - [ 0.0000000000000000, 0.0008262700000000, 0.0000029300000000 ] - [ 0.0000098800000000, 0.0008190300000000, 0.0000236300000000 ] - [ 0.0000224700000000, 0.0008652500000000, -0.0000111100000000 ] - [ 0.0000000000000000, 0.0008325200000000, 0.0000099100000000 ] - [ -0.0000224700000000, 0.0008652500000000, -0.0000111100000000 ] - [ 0.0000008200000000, -0.0008260400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008544200000000, 0.0000000000000000 ] - [ -0.0000008200000000, -0.0008260400000000, 0.0000000000000000 ] - [ 0.0000111200000000, -0.0008401200000000, -0.0000007400000000 ] - [ 0.0000000000000000, -0.0008517400000000, 0.0000077800000000 ] - [ -0.0000111200000000, -0.0008401200000000, -0.0000007400000000 ] - [ -0.0000052000000000, -0.0008480300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008386600000000, 0.0000000000000000 ] - [ 0.0000052000000000, -0.0008480300000000, 0.0000000000000000 ] - [ 0.0000111200000000, -0.0008401200000000, 0.0000007400000000 ] - [ 0.0000000000000000, -0.0008517400000000, -0.0000077800000000 ] - [ -0.0000111200000000, -0.0008401200000000, 0.0000007400000000 ] - [ 0.0000000000000000, 0.0024114700000000, -0.0015028900000000 ] - [ 0.0000542100000000, 0.0008860100000000, 0.0001108700000000 ] - [ -0.0000542100000000, 0.0008860100000000, 0.0001108700000000 ] - [ 0.0000000000000000, 0.0009306700000000, 0.0000154400000000 ] - [ -0.0000007600000000, 0.0008583300000000, 0.0000233800000000 ] - [ 0.0000007600000000, 0.0008583300000000, 0.0000233800000000 ] - [ 0.0000000000000000, 0.0009306700000000, -0.0000154400000000 ] - [ -0.0000007600000000, 0.0008583300000000, -0.0000233800000000 ] - [ 0.0000007600000000, 0.0008583300000000, -0.0000233800000000 ] - [ 0.0000000000000000, 0.0024114700000000, 0.0015028900000000 ] - [ 0.0000542100000000, 0.0008860100000000, -0.0001108700000000 ] - [ -0.0000542100000000, 0.0008860100000000, -0.0001108700000000 ] - [ 0.0001244200000000, -0.0001338700000000, 0.0000824400000000 ] - [ 0.0000000000000000, -0.0001373400000000, -0.0000426100000000 ] - [ -0.0001244200000000, -0.0001338700000000, 0.0000824400000000 ] - [ 0.0000151900000000, -0.0001986900000000, 0.0000094500000000 ] - [ 0.0000000000000000, -0.0002454600000000, -0.0000146200000000 ] - [ -0.0000151900000000, -0.0001986900000000, 0.0000094500000000 ] - [ 0.0000151900000000, -0.0001986900000000, -0.0000094500000000 ] - [ 0.0000000000000000, -0.0002454600000000, 0.0000146200000000 ] - [ -0.0000151900000000, -0.0001986900000000, -0.0000094500000000 ] - [ 0.0001244200000000, -0.0001338700000000, -0.0000824400000000 ] - [ 0.0000000000000000, -0.0001373400000000, 0.0000426100000000 ] - [ -0.0001244200000000, -0.0001338700000000, -0.0000824400000000 ] - [ 0.0000000000000000, -0.4817202900000000, 0.0000000000000000 ] - [ -0.0009629600000000, 0.0005022400000000, 0.0000000000000000 ] - [ 0.0009629600000000, 0.0005022400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001867500000000, -0.0009369400000000 ] - [ -0.0000936700000000, 0.0002716600000000, -0.0001986700000000 ] - [ 0.0000936700000000, 0.0002716600000000, -0.0001986700000000 ] - [ 0.0000000000000000, 0.0002177700000000, 0.0000000000000000 ] - [ -0.0000120400000000, 0.0002738800000000, 0.0000000000000000 ] - [ 0.0000120400000000, 0.0002738800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001867500000000, 0.0009369400000000 ] - [ -0.0000936700000000, 0.0002716600000000, 0.0001986700000000 ] - [ 0.0000936700000000, 0.0002716600000000, 0.0001986700000000 ] - [ 0.0000000000000000, -0.0005679600000000, 0.0022863100000000 ] - [ 0.0001659800000000, -0.0005384400000000, -0.0001041400000000 ] - [ -0.0001659800000000, -0.0005384400000000, -0.0001041400000000 ] - [ 0.0000000000000000, -0.0004265100000000, 0.0003133800000000 ] - [ 0.0000489200000000, -0.0003632200000000, -0.0000059900000000 ] - [ -0.0000489200000000, -0.0003632200000000, -0.0000059900000000 ] - [ 0.0000000000000000, -0.0004265100000000, -0.0003133800000000 ] - [ 0.0000489200000000, -0.0003632200000000, 0.0000059900000000 ] - [ -0.0000489200000000, -0.0003632200000000, 0.0000059900000000 ] - [ 0.0000000000000000, -0.0005679600000000, -0.0022863100000000 ] - [ 0.0001659800000000, -0.0005384400000000, 0.0001041400000000 ] - [ -0.0001659800000000, -0.0005384400000000, 0.0001041400000000 ] - [ 0.0001907100000000, 0.0005392100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003022100000000, 0.0000000000000000 ] - [ -0.0001907100000000, 0.0005392100000000, 0.0000000000000000 ] - [ 0.0001021500000000, 0.0004385400000000, 0.0000848200000000 ] - [ 0.0000000000000000, 0.0003097100000000, -0.0000052400000000 ] - [ -0.0001021500000000, 0.0004385400000000, 0.0000848200000000 ] - [ 0.0000384700000000, 0.0003324300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003057700000000, 0.0000000000000000 ] - [ -0.0000384700000000, 0.0003324300000000, 0.0000000000000000 ] - [ 0.0001021500000000, 0.0004385400000000, -0.0000848200000000 ] - [ 0.0000000000000000, 0.0003097100000000, 0.0000052400000000 ] - [ -0.0001021500000000, 0.0004385400000000, -0.0000848200000000 ] - [ 0.0000000000000000, 0.0015310500000000, 0.0000000000000000 ] - [ -0.0001048200000000, -0.0003278000000000, 0.0000000000000000 ] - [ 0.0001048200000000, -0.0003278000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002516500000000, 0.0000215300000000 ] - [ -0.0000914000000000, -0.0001451900000000, 0.0000305600000000 ] - [ 0.0000914000000000, -0.0001451900000000, 0.0000305600000000 ] - [ 0.0000000000000000, -0.0000918900000000, 0.0000000000000000 ] - [ -0.0000846700000000, -0.0000713900000000, 0.0000000000000000 ] - [ 0.0000846700000000, -0.0000713900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002516500000000, -0.0000215300000000 ] - [ -0.0000914000000000, -0.0001451900000000, -0.0000305600000000 ] - [ 0.0000914000000000, -0.0001451900000000, -0.0000305600000000 ] - [ 0.0007781200000000, -0.0012043200000000, 0.0009173000000000 ] - [ 0.0000000000000000, -0.0000052400000000, 0.0001741900000000 ] - [ -0.0007781200000000, -0.0012043200000000, 0.0009173000000000 ] - [ 0.0000993900000000, 0.0000328400000000, 0.0000803700000000 ] - [ 0.0000000000000000, 0.0000373400000000, 0.0000475700000000 ] - [ -0.0000993900000000, 0.0000328400000000, 0.0000803700000000 ] - [ 0.0000993900000000, 0.0000328400000000, -0.0000803700000000 ] - [ 0.0000000000000000, 0.0000373400000000, -0.0000475700000000 ] - [ -0.0000993900000000, 0.0000328400000000, -0.0000803700000000 ] - [ 0.0007781200000000, -0.0012043200000000, -0.0009173000000000 ] - [ 0.0000000000000000, -0.0000052400000000, -0.0001741900000000 ] - [ -0.0007781200000000, -0.0012043200000000, -0.0009173000000000 ] - [ -0.0018934900000000, -0.0006791000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001013400000000, 0.0000000000000000 ] - [ 0.0018934900000000, -0.0006791000000000, 0.0000000000000000 ] - [ -0.0003159300000000, 0.0000256300000000, -0.0002286600000000 ] - [ 0.0000000000000000, 0.0000055400000000, 0.0000251700000000 ] - [ 0.0003159300000000, 0.0000256300000000, -0.0002286600000000 ] - [ 0.0000147800000000, -0.0000172300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000293300000000, 0.0000000000000000 ] - [ -0.0000147800000000, -0.0000172300000000, 0.0000000000000000 ] - [ -0.0003159300000000, 0.0000256300000000, 0.0002286600000000 ] - [ 0.0000000000000000, 0.0000055400000000, -0.0000251700000000 ] - [ 0.0003159300000000, 0.0000256300000000, 0.0002286600000000 ] - [ 0.0000000000000000, -0.0004861600000000, -0.0000781200000000 ] - [ -0.0001917100000000, 0.0000392300000000, -0.0000196500000000 ] - [ 0.0001917100000000, 0.0000392300000000, -0.0000196500000000 ] - [ 0.0000000000000000, -0.0000225800000000, -0.0000845400000000 ] - [ -0.0001154300000000, 0.0000380800000000, -0.0000195500000000 ] - [ 0.0001154300000000, 0.0000380800000000, -0.0000195500000000 ] - [ 0.0000000000000000, -0.0000225800000000, 0.0000845400000000 ] - [ -0.0001154300000000, 0.0000380800000000, 0.0000195500000000 ] - [ 0.0001154300000000, 0.0000380800000000, 0.0000195500000000 ] - [ 0.0000000000000000, -0.0004861600000000, 0.0000781200000000 ] - [ -0.0001917100000000, 0.0000392300000000, 0.0000196500000000 ] - [ 0.0001917100000000, 0.0000392300000000, 0.0000196500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0031458000000000, -0.0129098800000000 ] - [ 0.0000024800000000, -0.0008347600000000, -0.0003367700000000 ] - [ -0.0000024800000000, -0.0008347600000000, -0.0003367700000000 ] - [ 0.0000000000000000, -0.0007941800000000, 0.0009685800000000 ] - [ 0.0000976400000000, -0.0007929400000000, 0.0000751800000000 ] - [ -0.0000976400000000, -0.0007929400000000, 0.0000751800000000 ] - [ 0.0000000000000000, -0.0008256000000000, 0.0002676400000000 ] - [ 0.0000057300000000, -0.0008284400000000, 0.0001142400000000 ] - [ -0.0000057300000000, -0.0008284400000000, 0.0001142400000000 ] - [ 0.0000000000000000, -0.0008613600000000, 0.0009638900000000 ] - [ -0.0000857600000000, -0.0008672500000000, 0.0000762000000000 ] - [ 0.0000857600000000, -0.0008672500000000, 0.0000762000000000 ] - [ 0.0000895000000000, 0.0008165000000000, -0.0000093500000000 ] - [ 0.0000000000000000, 0.0008407600000000, -0.0000350000000000 ] - [ -0.0000895000000000, 0.0008165000000000, -0.0000093500000000 ] - [ -0.0000126000000000, 0.0008524900000000, 0.0000616100000000 ] - [ 0.0000000000000000, 0.0008344700000000, 0.0000357400000000 ] - [ 0.0000126000000000, 0.0008524900000000, 0.0000616100000000 ] - [ 0.0000012600000000, 0.0008095100000000, 0.0000620700000000 ] - [ 0.0000000000000000, 0.0008222000000000, 0.0000359100000000 ] - [ -0.0000012600000000, 0.0008095100000000, 0.0000620700000000 ] - [ -0.0001016000000000, 0.0008427800000000, -0.0000094000000000 ] - [ 0.0000000000000000, 0.0008154600000000, -0.0000350800000000 ] - [ 0.0001016000000000, 0.0008427800000000, -0.0000094000000000 ] - [ -0.0000057800000000, -0.0008290200000000, 0.0000575100000000 ] - [ 0.0000000000000000, -0.0008247000000000, -0.0000203300000000 ] - [ 0.0000057800000000, -0.0008290200000000, 0.0000575100000000 ] - [ -0.0000366000000000, -0.0008272000000000, -0.0000734200000000 ] - [ 0.0000000000000000, -0.0008233800000000, -0.0000124600000000 ] - [ 0.0000366000000000, -0.0008272000000000, -0.0000734200000000 ] - [ -0.0000056100000000, -0.0008340900000000, 0.0000648900000000 ] - [ 0.0000000000000000, -0.0008264100000000, 0.0000442400000000 ] - [ 0.0000056100000000, -0.0008340900000000, 0.0000648900000000 ] - [ 0.0000252700000000, -0.0008323300000000, -0.0000728200000000 ] - [ 0.0000000000000000, -0.0008411600000000, -0.0000120800000000 ] - [ -0.0000252700000000, -0.0008323300000000, -0.0000728200000000 ] - [ 0.0000000000000000, 0.0023496600000000, 0.0074102300000000 ] - [ 0.0002103900000000, 0.0007183500000000, -0.0000754100000000 ] - [ -0.0002103900000000, 0.0007183500000000, -0.0000754100000000 ] - [ 0.0000000000000000, 0.0008148400000000, 0.0003010500000000 ] - [ 0.0000320300000000, 0.0008075400000000, 0.0000957600000000 ] - [ -0.0000320300000000, 0.0008075400000000, 0.0000957600000000 ] - [ 0.0000000000000000, 0.0008396600000000, 0.0002990900000000 ] - [ -0.0000204800000000, 0.0008545200000000, 0.0000957100000000 ] - [ 0.0000204800000000, 0.0008545200000000, 0.0000957100000000 ] - [ 0.0000000000000000, -0.0006535500000000, 0.0073529900000000 ] - [ -0.0002002100000000, 0.0009415500000000, -0.0000725600000000 ] - [ 0.0002002100000000, 0.0009415500000000, -0.0000725600000000 ] - [ 0.0002064100000000, -0.0005592600000000, 0.0002497000000000 ] - [ 0.0000000000000000, -0.0002647400000000, 0.0001045900000000 ] - [ -0.0002064100000000, -0.0005592600000000, 0.0002497000000000 ] - [ -0.0000215400000000, -0.0002222000000000, -0.0001545600000000 ] - [ 0.0000000000000000, -0.0002661100000000, -0.0001048000000000 ] - [ 0.0000215400000000, -0.0002222000000000, -0.0001545600000000 ] - [ 0.0000487300000000, -0.0003562600000000, -0.0001544600000000 ] - [ 0.0000000000000000, -0.0003164300000000, -0.0001050900000000 ] - [ -0.0000487300000000, -0.0003562600000000, -0.0001544600000000 ] - [ -0.0001761100000000, -0.0000189200000000, 0.0002444800000000 ] - [ 0.0000000000000000, -0.0003211300000000, 0.0001051200000000 ] - [ 0.0001761100000000, -0.0000189200000000, 0.0002444800000000 ] - [ 0.0000000000000000, 0.0025976200000000, 0.0027836700000000 ] - [ -0.0000088700000000, 0.0002911000000000, 0.0006553000000000 ] - [ 0.0000088700000000, 0.0002911000000000, 0.0006553000000000 ] - [ 0.0000000000000000, 0.0015144900000000, -0.0015085600000000 ] - [ -0.0002747900000000, 0.0004262400000000, -0.0001124600000000 ] - [ 0.0002747900000000, 0.0004262400000000, -0.0001124600000000 ] - [ 0.0000000000000000, 0.0002904300000000, -0.0007173600000000 ] - [ -0.0000149200000000, 0.0002886300000000, -0.0003012500000000 ] - [ 0.0000149200000000, 0.0002886300000000, -0.0003012500000000 ] - [ 0.0000000000000000, -0.0009240300000000, -0.0014777500000000 ] - [ 0.0002426300000000, 0.0001530800000000, -0.0001134200000000 ] - [ -0.0002426300000000, 0.0001530800000000, -0.0001134200000000 ] - [ 0.0000000000000000, -0.0032955400000000, -0.0026513600000000 ] - [ -0.0006486700000000, -0.0003781400000000, 0.0002803500000000 ] - [ 0.0006486700000000, -0.0003781400000000, 0.0002803500000000 ] - [ 0.0000000000000000, -0.0003822600000000, -0.0010263500000000 ] - [ -0.0001384000000000, -0.0003043200000000, -0.0003087200000000 ] - [ 0.0001384000000000, -0.0003043200000000, -0.0003087200000000 ] - [ 0.0000000000000000, -0.0002008600000000, -0.0010259300000000 ] - [ 0.0001092900000000, -0.0002768000000000, -0.0003093300000000 ] - [ -0.0001092900000000, -0.0002768000000000, -0.0003093300000000 ] - [ 0.0000000000000000, 0.0027564000000000, -0.0027122400000000 ] - [ 0.0006227000000000, -0.0001989900000000, 0.0002750200000000 ] - [ -0.0006227000000000, -0.0001989900000000, 0.0002750200000000 ] - [ 0.0000139000000000, 0.0002902600000000, 0.0004437000000000 ] - [ 0.0000000000000000, 0.0002882900000000, 0.0001947600000000 ] - [ -0.0000139000000000, 0.0002902600000000, 0.0004437000000000 ] - [ -0.0001617800000000, -0.0001464300000000, -0.0000882900000000 ] - [ 0.0000000000000000, 0.0001927800000000, -0.0000122800000000 ] - [ 0.0001617800000000, -0.0001464300000000, -0.0000882900000000 ] - [ 0.0000138200000000, 0.0002932300000000, -0.0002715800000000 ] - [ 0.0000000000000000, 0.0002888200000000, -0.0001708900000000 ] - [ -0.0000138200000000, 0.0002932300000000, -0.0002715800000000 ] - [ 0.0001895100000000, 0.0007243700000000, -0.0000889600000000 ] - [ 0.0000000000000000, 0.0004022800000000, -0.0000124500000000 ] - [ -0.0001895100000000, 0.0007243700000000, -0.0000889600000000 ] - [ 0.0000000000000000, -0.0000742900000000, 0.0009376900000000 ] - [ -0.0000756800000000, -0.0000389600000000, -0.0000567600000000 ] - [ 0.0000756800000000, -0.0000389600000000, -0.0000567600000000 ] - [ 0.0000000000000000, -0.0002544900000000, -0.0002594200000000 ] - [ -0.0000452400000000, -0.0001200600000000, -0.0000311900000000 ] - [ 0.0000452400000000, -0.0001200600000000, -0.0000311900000000 ] - [ 0.0000000000000000, -0.0000495400000000, 0.0002054900000000 ] - [ -0.0000744700000000, -0.0000395500000000, 0.0001340200000000 ] - [ 0.0000744700000000, -0.0000395500000000, 0.0001340200000000 ] - [ 0.0000000000000000, 0.0001494600000000, -0.0002593000000000 ] - [ -0.0001037100000000, 0.0000399700000000, -0.0000300500000000 ] - [ 0.0001037100000000, 0.0000399700000000, -0.0000300500000000 ] - [ 0.0017356400000000, -0.0022580100000000, 0.0006215400000000 ] - [ 0.0000000000000000, -0.0000563600000000, -0.0001567300000000 ] - [ -0.0017356400000000, -0.0022580100000000, 0.0006215400000000 ] - [ 0.0002467600000000, -0.0000715900000000, 0.0003198200000000 ] - [ 0.0000000000000000, 0.0000031000000000, 0.0001547800000000 ] - [ -0.0002467600000000, -0.0000715900000000, 0.0003198200000000 ] - [ -0.0000935700000000, 0.0001495800000000, 0.0003180000000000 ] - [ 0.0000000000000000, 0.0000949100000000, 0.0001552700000000 ] - [ 0.0000935700000000, 0.0001495800000000, 0.0003180000000000 ] - [ -0.0015557100000000, 0.0023338300000000, 0.0006325200000000 ] - [ 0.0000000000000000, 0.0001562000000000, -0.0001540200000000 ] - [ 0.0015557100000000, 0.0023338300000000, 0.0006325200000000 ] - [ 0.0000596400000000, -0.0000617800000000, -0.0023011400000000 ] - [ 0.0000000000000000, -0.0000496900000000, -0.0004113100000000 ] - [ -0.0000596400000000, -0.0000617800000000, -0.0023011400000000 ] - [ 0.0007754800000000, 0.0002193500000000, 0.0006596200000000 ] - [ 0.0000000000000000, 0.0000176400000000, 0.0001025200000000 ] - [ -0.0007754800000000, 0.0002193500000000, 0.0006596200000000 ] - [ 0.0000753000000000, -0.0000390500000000, 0.0003462800000000 ] - [ 0.0000000000000000, -0.0000491000000000, 0.0002048600000000 ] - [ -0.0000753000000000, -0.0000390500000000, 0.0003462800000000 ] - [ -0.0006232700000000, -0.0002962400000000, 0.0006604500000000 ] - [ 0.0000000000000000, -0.0001156600000000, 0.0001045900000000 ] - [ 0.0006232700000000, -0.0002962400000000, 0.0006604500000000 ] - [ 0.0000000000000000, 0.0011219400000000, -0.0003326200000000 ] - [ 0.0000367400000000, 0.0002300200000000, -0.0001422300000000 ] - [ -0.0000367400000000, 0.0002300200000000, -0.0001422300000000 ] - [ 0.0000000000000000, 0.0002285400000000, 0.0002887700000000 ] - [ -0.0000242000000000, 0.0000900400000000, 0.0001406200000000 ] - [ 0.0000242000000000, 0.0000900400000000, 0.0001406200000000 ] - [ 0.0000000000000000, -0.0001314400000000, 0.0002895800000000 ] - [ -0.0001253000000000, -0.0000121200000000, 0.0001412300000000 ] - [ 0.0001253000000000, -0.0000121200000000, 0.0001412300000000 ] - [ 0.0000000000000000, -0.0010231600000000, -0.0003304100000000 ] - [ -0.0001860500000000, -0.0001527300000000, -0.0001403500000000 ] - [ 0.0001860500000000, -0.0001527300000000, -0.0001403500000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000993700000000, -0.0009386600000000, 0.0001921400000000 ] - [ 0.0001034500000000, -0.0007212000000000, -0.0001899100000000 ] - [ -0.0000103500000000, -0.0008328600000000, -0.0000002100000000 ] - [ 0.0000993700000000, -0.0009386600000000, -0.0001921400000000 ] - [ 0.0001034500000000, -0.0007212000000000, 0.0001899100000000 ] - [ -0.0000103500000000, -0.0008328600000000, 0.0000002100000000 ] - [ 0.0000032900000000, -0.0008274900000000, 0.0000356000000000 ] - [ 0.0000088400000000, -0.0008316400000000, -0.0000353000000000 ] - [ -0.0000126800000000, -0.0008281400000000, 0.0000001000000000 ] - [ 0.0000032900000000, -0.0008274900000000, -0.0000356000000000 ] - [ 0.0000088400000000, -0.0008316400000000, 0.0000353000000000 ] - [ -0.0000126800000000, -0.0008281400000000, -0.0000001000000000 ] - [ 0.0043944200000000, 0.0031765400000000, 0.0000000000000000 ] - [ -0.0015548000000000, 0.0017914900000000, 0.0000000000000000 ] - [ -0.0015332500000000, -0.0001243000000000, 0.0000000000000000 ] - [ 0.0003443200000000, 0.0008293400000000, 0.0000014300000000 ] - [ -0.0001092200000000, 0.0009083200000000, -0.0002596900000000 ] - [ -0.0001041300000000, 0.0007500800000000, 0.0002576600000000 ] - [ 0.0000153900000000, 0.0008315900000000, 0.0000000000000000 ] - [ -0.0000104200000000, 0.0008226000000000, 0.0000000000000000 ] - [ -0.0000051500000000, 0.0008360100000000, 0.0000000000000000 ] - [ 0.0003443200000000, 0.0008293400000000, -0.0000014300000000 ] - [ -0.0001092200000000, 0.0009083200000000, 0.0002596900000000 ] - [ -0.0001041300000000, 0.0007500800000000, -0.0002576600000000 ] - [ 0.0031217600000000, -0.0008328500000000, 0.0000016600000000 ] - [ -0.0004831100000000, -0.0006449700000000, 0.0006381800000000 ] - [ -0.0004752900000000, -0.0010112900000000, -0.0006331300000000 ] - [ 0.0031217600000000, -0.0008328500000000, -0.0000016600000000 ] - [ -0.0004831100000000, -0.0006449700000000, -0.0006381800000000 ] - [ -0.0004752900000000, -0.0010112900000000, 0.0006331300000000 ] - [ 0.0000135000000000, -0.0008328500000000, 0.0000011000000000 ] - [ -0.0000130300000000, -0.0007650700000000, -0.0001241300000000 ] - [ -0.0000078100000000, -0.0008965100000000, 0.0001235800000000 ] - [ 0.0000135000000000, -0.0008328500000000, -0.0000011000000000 ] - [ -0.0000130300000000, -0.0007650700000000, 0.0001241300000000 ] - [ -0.0000078100000000, -0.0008965100000000, -0.0001235800000000 ] - [ 0.0000306800000000, 0.0010091500000000, 0.0000000000000000 ] - [ 0.0000361300000000, 0.0006501400000000, 0.0000000000000000 ] - [ -0.0000702800000000, 0.0008331700000000, 0.0000000000000000 ] - [ 0.0000127600000000, 0.0009166600000000, 0.0001759000000000 ] - [ 0.0000183300000000, 0.0007418500000000, -0.0001756000000000 ] - [ -0.0000302300000000, 0.0008282000000000, -0.0000001500000000 ] - [ 0.0000042000000000, 0.0008494300000000, 0.0000000000000000 ] - [ 0.0000097900000000, 0.0008040600000000, 0.0000000000000000 ] - [ -0.0000137500000000, 0.0008329800000000, 0.0000000000000000 ] - [ 0.0000127600000000, 0.0009166600000000, -0.0001759000000000 ] - [ 0.0000183300000000, 0.0007418500000000, 0.0001756000000000 ] - [ -0.0000302300000000, 0.0008282000000000, 0.0000001500000000 ] - [ -0.0351988600000000, -0.0027620800000000, 0.0000000000000000 ] - [ 0.0092079500000000, 0.0000717500000000, 0.0000000000000000 ] - [ 0.0091321300000000, -0.0006400500000000, 0.0000000000000000 ] - [ -0.0021655400000000, -0.0002917300000000, -0.0000173500000000 ] - [ 0.0007916800000000, -0.0002880200000000, 0.0011976700000000 ] - [ 0.0007803500000000, -0.0002934500000000, -0.0011923200000000 ] - [ -0.0001264700000000, -0.0002925700000000, 0.0000000000000000 ] - [ 0.0000744200000000, -0.0002487100000000, 0.0000000000000000 ] - [ 0.0000623000000000, -0.0003338000000000, 0.0000000000000000 ] - [ -0.0021655400000000, -0.0002917300000000, 0.0000173500000000 ] - [ 0.0007916800000000, -0.0002880200000000, -0.0011976700000000 ] - [ 0.0007803500000000, -0.0002934500000000, 0.0011923200000000 ] - [ -0.0003078400000000, -0.0013908400000000, 0.0005327700000000 ] - [ -0.0003217100000000, 0.0019726100000000, -0.0005339500000000 ] - [ 0.0007967100000000, 0.0002963700000000, -0.0000006900000000 ] - [ -0.0003078400000000, -0.0013908400000000, -0.0005327700000000 ] - [ -0.0003217100000000, 0.0019726100000000, 0.0005339500000000 ] - [ 0.0007967100000000, 0.0002963700000000, 0.0000006900000000 ] - [ -0.0000977900000000, 0.0002528900000000, -0.0001934900000000 ] - [ -0.0001134300000000, 0.0003312900000000, 0.0001921300000000 ] - [ 0.0002107400000000, 0.0002882200000000, -0.0000004100000000 ] - [ -0.0000977900000000, 0.0002528900000000, 0.0001934900000000 ] - [ -0.0001134300000000, 0.0003312900000000, -0.0001921300000000 ] - [ 0.0002107400000000, 0.0002882200000000, 0.0000004100000000 ] - [ -0.0001979100000000, -0.0004169300000000, 0.0000000000000000 ] - [ -0.0002135200000000, -0.0001690100000000, 0.0000000000000000 ] - [ 0.0004057500000000, -0.0002953000000000, 0.0000000000000000 ] - [ -0.0001238000000000, -0.0004345200000000, -0.0002301700000000 ] - [ -0.0001386200000000, -0.0001480700000000, 0.0002292700000000 ] - [ 0.0002529100000000, -0.0002891300000000, 0.0000002900000000 ] - [ -0.0000505300000000, -0.0003124200000000, 0.0000000000000000 ] - [ -0.0000651000000000, -0.0002639600000000, 0.0000000000000000 ] - [ 0.0001159400000000, -0.0002953900000000, 0.0000000000000000 ] - [ -0.0001238000000000, -0.0004345200000000, 0.0002301700000000 ] - [ -0.0001386200000000, -0.0001480700000000, -0.0002292700000000 ] - [ 0.0002529100000000, -0.0002891300000000, -0.0000002900000000 ] - [ -0.0034337400000000, 0.0002874300000000, -0.0000039100000000 ] - [ 0.0008202200000000, -0.0005775100000000, -0.0008199700000000 ] - [ 0.0008046600000000, 0.0011516900000000, 0.0008124600000000 ] - [ -0.0034337400000000, 0.0002874300000000, 0.0000039100000000 ] - [ 0.0008202200000000, -0.0005775100000000, 0.0008199700000000 ] - [ 0.0008046600000000, 0.0011516900000000, -0.0008124600000000 ] - [ -0.0001480900000000, 0.0002933000000000, -0.0000012800000000 ] - [ 0.0000843900000000, 0.0001566400000000, 0.0002230000000000 ] - [ 0.0000716600000000, 0.0004289100000000, -0.0002218900000000 ] - [ -0.0001480900000000, 0.0002933000000000, 0.0000012800000000 ] - [ 0.0000843900000000, 0.0001566400000000, -0.0002230000000000 ] - [ 0.0000716600000000, 0.0004289100000000, 0.0002218900000000 ] - [ 0.0047324100000000, 0.0006157600000000, 0.0003561600000000 ] - [ 0.0048805800000000, -0.0006631100000000, -0.0006071500000000 ] - [ -0.0017708800000000, -0.0000407100000000, 0.0000025700000000 ] - [ 0.0047324100000000, 0.0006157600000000, -0.0003561600000000 ] - [ 0.0048805800000000, -0.0006631100000000, 0.0006071500000000 ] - [ -0.0017708800000000, -0.0000407100000000, -0.0000025700000000 ] - [ 0.0001950700000000, -0.0000565600000000, 0.0002236700000000 ] - [ 0.0001253900000000, -0.0000299400000000, -0.0002233800000000 ] - [ -0.0003215800000000, -0.0000388700000000, -0.0000009800000000 ] - [ 0.0001950700000000, -0.0000565600000000, -0.0002236700000000 ] - [ 0.0001253900000000, -0.0000299400000000, 0.0002233800000000 ] - [ -0.0003215800000000, -0.0000388700000000, 0.0000009800000000 ] - [ 0.0028749900000000, 0.0000640500000000, 0.0000000000000000 ] - [ -0.0011581100000000, -0.0014009900000000, 0.0000000000000000 ] - [ -0.0012391900000000, 0.0014839500000000, 0.0000000000000000 ] - [ 0.0007976700000000, 0.0000410000000000, 0.0000006100000000 ] - [ -0.0003385600000000, -0.0002378000000000, -0.0003340600000000 ] - [ -0.0004157700000000, 0.0003236200000000, 0.0003339100000000 ] - [ 0.0002420900000000, 0.0000399100000000, 0.0000000000000000 ] - [ -0.0000832500000000, -0.0000047600000000, 0.0000000000000000 ] - [ -0.0001592000000000, 0.0000933600000000, 0.0000000000000000 ] - [ 0.0007976700000000, 0.0000410000000000, -0.0000006100000000 ] - [ -0.0003385600000000, -0.0002378000000000, 0.0003340600000000 ] - [ -0.0004157700000000, 0.0003236200000000, -0.0003339100000000 ] - [ 0.0004623500000000, -0.0000398600000000, 0.0000003000000000 ] - [ -0.0002034400000000, 0.0001248900000000, 0.0000647400000000 ] - [ -0.0002793200000000, -0.0002101500000000, -0.0000643300000000 ] - [ 0.0004623500000000, -0.0000398600000000, -0.0000003000000000 ] - [ -0.0002034400000000, 0.0001248900000000, -0.0000647400000000 ] - [ -0.0002793200000000, -0.0002101500000000, 0.0000643300000000 ] - [ 0.0002426400000000, -0.0000394600000000, -0.0000004000000000 ] - [ -0.0000844900000000, -0.0000017900000000, -0.0000529600000000 ] - [ -0.0001590900000000, -0.0000862700000000, 0.0000509800000000 ] - [ 0.0002426400000000, -0.0000394600000000, 0.0000004000000000 ] - [ -0.0000844900000000, -0.0000017900000000, 0.0000529600000000 ] - [ -0.0001590900000000, -0.0000862700000000, -0.0000509800000000 ] - [ -0.0000228700000000, -0.0026772600000000, 0.0000000000000000 ] - [ -0.0000968900000000, 0.0027889400000000, 0.0000000000000000 ] - [ -0.0009908700000000, 0.0000420300000000, 0.0000000000000000 ] - [ 0.0002539800000000, -0.0001505200000000, 0.0002736800000000 ] - [ 0.0001843200000000, 0.0002377300000000, -0.0002756400000000 ] - [ -0.0004521100000000, 0.0000395000000000, -0.0000019300000000 ] - [ 0.0000969000000000, 0.0000455800000000, 0.0000000000000000 ] - [ 0.0000237000000000, 0.0000420800000000, 0.0000000000000000 ] - [ -0.0001197900000000, 0.0000398400000000, 0.0000000000000000 ] - [ 0.0002539800000000, -0.0001505200000000, -0.0002736800000000 ] - [ 0.0001843200000000, 0.0002377300000000, 0.0002756400000000 ] - [ -0.0004521100000000, 0.0000395000000000, 0.0000019300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002947200000000, -0.0009948400000000, -0.0002724100000000 ] - [ 0.0002947200000000, -0.0009948400000000, -0.0002724100000000 ] - [ 0.0000000000000000, -0.0009958300000000, 0.0000313700000000 ] - [ -0.0002947200000000, -0.0009948400000000, 0.0002724100000000 ] - [ 0.0002947200000000, -0.0009948400000000, 0.0002724100000000 ] - [ 0.0000000000000000, -0.0009958300000000, -0.0000313700000000 ] - [ 0.0000124600000000, -0.0009286000000000, -0.0000652600000000 ] - [ -0.0000124600000000, -0.0009286000000000, -0.0000652600000000 ] - [ 0.0000000000000000, -0.0008776300000000, -0.0000292200000000 ] - [ 0.0000124600000000, -0.0009286000000000, 0.0000652600000000 ] - [ -0.0000124600000000, -0.0009286000000000, 0.0000652600000000 ] - [ 0.0000000000000000, -0.0008776300000000, 0.0000292200000000 ] - [ 0.0000000000000000, 0.4480713000000000, 0.0000000000000000 ] - [ 0.0008575100000000, 0.0006254100000000, 0.0000000000000000 ] - [ -0.0008575100000000, 0.0006254100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009496100000000, 0.0012156100000000 ] - [ 0.0000894200000000, 0.0008489900000000, 0.0001386100000000 ] - [ -0.0000894200000000, 0.0008489900000000, 0.0001386100000000 ] - [ 0.0000000000000000, 0.0009079100000000, 0.0000000000000000 ] - [ 0.0000141600000000, 0.0008442900000000, 0.0000000000000000 ] - [ -0.0000141600000000, 0.0008442900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009496100000000, -0.0012156100000000 ] - [ 0.0000894200000000, 0.0008489900000000, -0.0001386100000000 ] - [ -0.0000894200000000, 0.0008489900000000, -0.0001386100000000 ] - [ 0.0000000000000000, -0.0005440400000000, -0.0029982800000000 ] - [ 0.0002766300000000, -0.0005806900000000, -0.0000890800000000 ] - [ -0.0002766300000000, -0.0005806900000000, -0.0000890800000000 ] - [ 0.0000000000000000, -0.0005440400000000, 0.0029982800000000 ] - [ 0.0002766300000000, -0.0005806900000000, 0.0000890800000000 ] - [ -0.0002766300000000, -0.0005806900000000, 0.0000890800000000 ] - [ 0.0000000000000000, -0.0006949700000000, 0.0000898100000000 ] - [ 0.0000266500000000, -0.0007608600000000, 0.0000142300000000 ] - [ -0.0000266500000000, -0.0007608600000000, 0.0000142300000000 ] - [ 0.0000000000000000, -0.0006949700000000, -0.0000898100000000 ] - [ 0.0000266500000000, -0.0007608600000000, -0.0000142300000000 ] - [ -0.0000266500000000, -0.0007608600000000, -0.0000142300000000 ] - [ 0.0001967100000000, 0.0005726400000000, 0.0000000000000000 ] - [ -0.0001967100000000, 0.0005726400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008229900000000, 0.0000000000000000 ] - [ 0.0000456600000000, 0.0006738400000000, -0.0004338500000000 ] - [ -0.0000456600000000, 0.0006738400000000, -0.0004338500000000 ] - [ 0.0000000000000000, 0.0008125800000000, -0.0001019300000000 ] - [ 0.0000070200000000, 0.0007924500000000, 0.0000000000000000 ] - [ -0.0000070200000000, 0.0007924500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008297700000000, 0.0000000000000000 ] - [ 0.0000456600000000, 0.0006738400000000, 0.0004338500000000 ] - [ -0.0000456600000000, 0.0006738400000000, 0.0004338500000000 ] - [ 0.0000000000000000, 0.0008125800000000, 0.0001019300000000 ] - [ 0.0000000000000000, -0.4807056700000000, 0.0000000000000000 ] - [ -0.0003629000000000, -0.0023640700000000, 0.0000000000000000 ] - [ 0.0003629000000000, -0.0023640700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028062000000000, -0.0005652600000000 ] - [ 0.0000010100000000, -0.0008325300000000, 0.0000278200000000 ] - [ -0.0000010100000000, -0.0008325300000000, 0.0000278200000000 ] - [ 0.0000000000000000, -0.0006221500000000, 0.0000000000000000 ] - [ -0.0000330500000000, -0.0004780100000000, 0.0000000000000000 ] - [ 0.0000330500000000, -0.0004780100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028062000000000, 0.0005652600000000 ] - [ 0.0000010100000000, -0.0008325300000000, -0.0000278200000000 ] - [ -0.0000010100000000, -0.0008325300000000, -0.0000278200000000 ] - [ -0.0016826400000000, 0.0026476400000000, -0.0017574900000000 ] - [ 0.0016826400000000, 0.0026476400000000, -0.0017574900000000 ] - [ 0.0000000000000000, 0.0002373500000000, -0.0001484000000000 ] - [ -0.0016826400000000, 0.0026476400000000, 0.0017574900000000 ] - [ 0.0016826400000000, 0.0026476400000000, 0.0017574900000000 ] - [ 0.0000000000000000, 0.0002373500000000, 0.0001484000000000 ] - [ -0.0000307400000000, 0.0002380100000000, 0.0004013500000000 ] - [ 0.0000307400000000, 0.0002380100000000, 0.0004013500000000 ] - [ 0.0000000000000000, 0.0002531600000000, 0.0001470400000000 ] - [ -0.0000307400000000, 0.0002380100000000, -0.0004013500000000 ] - [ 0.0000307400000000, 0.0002380100000000, -0.0004013500000000 ] - [ 0.0000000000000000, 0.0002531600000000, -0.0001470400000000 ] - [ 0.0001277700000000, 0.0013244000000000, 0.0000000000000000 ] - [ -0.0001277700000000, 0.0013244000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002132900000000, 0.0000000000000000 ] - [ 0.0001505600000000, 0.0007456500000000, 0.0002514400000000 ] - [ -0.0001505600000000, 0.0007456500000000, 0.0002514400000000 ] - [ 0.0000000000000000, 0.0000597000000000, 0.0000916400000000 ] - [ 0.0000316100000000, -0.0000266400000000, 0.0000000000000000 ] - [ -0.0000316100000000, -0.0000266400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001512200000000, 0.0000000000000000 ] - [ 0.0001505600000000, 0.0007456500000000, -0.0002514400000000 ] - [ -0.0001505600000000, 0.0007456500000000, -0.0002514400000000 ] - [ 0.0000000000000000, 0.0000597000000000, -0.0000916400000000 ] - [ 0.0000000000000000, 0.0043843400000000, 0.0046585900000000 ] - [ -0.0008567200000000, 0.0004464100000000, 0.0002461600000000 ] - [ 0.0008567200000000, 0.0004464100000000, 0.0002461600000000 ] - [ 0.0000000000000000, 0.0043843400000000, -0.0046585900000000 ] - [ -0.0008567200000000, 0.0004464100000000, -0.0002461600000000 ] - [ 0.0008567200000000, 0.0004464100000000, -0.0002461600000000 ] - [ 0.0000000000000000, 0.0003313400000000, -0.0007346900000000 ] - [ -0.0001302000000000, 0.0003260000000000, -0.0001451200000000 ] - [ 0.0001302000000000, 0.0003260000000000, -0.0001451200000000 ] - [ 0.0000000000000000, 0.0003313400000000, 0.0007346900000000 ] - [ -0.0001302000000000, 0.0003260000000000, 0.0001451200000000 ] - [ 0.0001302000000000, 0.0003260000000000, 0.0001451200000000 ] - [ -0.0004615000000000, 0.0039527900000000, -0.0003560900000000 ] - [ 0.0004615000000000, 0.0039527900000000, -0.0003560900000000 ] - [ 0.0000000000000000, 0.0004088500000000, -0.0000183800000000 ] - [ -0.0004615000000000, 0.0039527900000000, 0.0003560900000000 ] - [ 0.0004615000000000, 0.0039527900000000, 0.0003560900000000 ] - [ 0.0000000000000000, 0.0004088500000000, 0.0000183800000000 ] - [ -0.0000640700000000, 0.0002492900000000, -0.0000412700000000 ] - [ 0.0000640700000000, 0.0002492900000000, -0.0000412700000000 ] - [ 0.0000000000000000, 0.0001250800000000, -0.0000247000000000 ] - [ -0.0000640700000000, 0.0002492900000000, 0.0000412700000000 ] - [ 0.0000640700000000, 0.0002492900000000, 0.0000412700000000 ] - [ 0.0000000000000000, 0.0001250800000000, 0.0000247000000000 ] - [ 0.0000000000000000, 0.0137696300000000, 0.0000000000000000 ] - [ -0.0013392500000000, 0.0000011900000000, 0.0000000000000000 ] - [ 0.0013392500000000, 0.0000011900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000063100000000, -0.0015650800000000 ] - [ -0.0002719900000000, 0.0002390300000000, -0.0004423400000000 ] - [ 0.0002719900000000, 0.0002390300000000, -0.0004423400000000 ] - [ 0.0000000000000000, 0.0001927700000000, 0.0000000000000000 ] - [ 0.0000039300000000, 0.0001358000000000, 0.0000000000000000 ] - [ -0.0000039300000000, 0.0001358000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000063100000000, 0.0015650800000000 ] - [ -0.0002719900000000, 0.0002390300000000, 0.0004423400000000 ] - [ 0.0002719900000000, 0.0002390300000000, 0.0004423400000000 ] - [ 0.0000000000000000, -0.0020226100000000, 0.0000568800000000 ] - [ 0.0000601600000000, -0.0007231100000000, 0.0000214400000000 ] - [ -0.0000601600000000, -0.0007231100000000, 0.0000214400000000 ] - [ 0.0000000000000000, -0.0020226100000000, -0.0000568800000000 ] - [ 0.0000601600000000, -0.0007231100000000, -0.0000214400000000 ] - [ -0.0000601600000000, -0.0007231100000000, -0.0000214400000000 ] - [ 0.0000000000000000, -0.0004278000000000, 0.0000856300000000 ] - [ 0.0000507100000000, -0.0002417600000000, -0.0000133200000000 ] - [ -0.0000507100000000, -0.0002417600000000, -0.0000133200000000 ] - [ 0.0000000000000000, -0.0004278000000000, -0.0000856300000000 ] - [ 0.0000507100000000, -0.0002417600000000, 0.0000133200000000 ] - [ -0.0000507100000000, -0.0002417600000000, 0.0000133200000000 ] - [ -0.0016810200000000, -0.0019594000000000, 0.0000000000000000 ] - [ 0.0016810200000000, -0.0019594000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001680500000000, 0.0000000000000000 ] - [ -0.0007574200000000, -0.0003204900000000, 0.0008274800000000 ] - [ 0.0007574200000000, -0.0003204900000000, 0.0008274800000000 ] - [ 0.0000000000000000, -0.0001051600000000, 0.0001838600000000 ] - [ -0.0000999600000000, -0.0000880000000000, 0.0000000000000000 ] - [ 0.0000999600000000, -0.0000880000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000479200000000, 0.0000000000000000 ] - [ -0.0007574200000000, -0.0003204900000000, -0.0008274800000000 ] - [ 0.0007574200000000, -0.0003204900000000, -0.0008274800000000 ] - [ 0.0000000000000000, -0.0001051600000000, -0.0001838600000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002891900000000, -0.0006622400000000, 0.0002724000000000 ] - [ -0.0002891900000000, -0.0006622400000000, 0.0002724000000000 ] - [ 0.0000000000000000, -0.0006782600000000, -0.0000322900000000 ] - [ 0.0002891900000000, -0.0006622400000000, -0.0002724000000000 ] - [ -0.0002891900000000, -0.0006622400000000, -0.0002724000000000 ] - [ 0.0000000000000000, -0.0006782600000000, 0.0000322900000000 ] - [ -0.0000180500000000, -0.0007388400000000, 0.0000648500000000 ] - [ 0.0000180500000000, -0.0007388400000000, 0.0000648500000000 ] - [ 0.0000000000000000, -0.0007807800000000, 0.0000283300000000 ] - [ -0.0000180500000000, -0.0007388400000000, -0.0000648500000000 ] - [ 0.0000180500000000, -0.0007388400000000, -0.0000648500000000 ] - [ 0.0000000000000000, -0.0007807800000000, -0.0000283300000000 ] - [ 0.0000000000000000, -0.4811427400000000, 0.0000000000000000 ] - [ -0.0008675200000000, 0.0010371100000000, 0.0000000000000000 ] - [ 0.0008675200000000, 0.0010371100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007084400000000, -0.0012171400000000 ] - [ -0.0000949600000000, 0.0008058800000000, -0.0001383700000000 ] - [ 0.0000949600000000, 0.0008058800000000, -0.0001383700000000 ] - [ 0.0000000000000000, 0.0007514100000000, 0.0000000000000000 ] - [ -0.0000196700000000, 0.0008168300000000, 0.0000000000000000 ] - [ 0.0000196700000000, 0.0008168300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007084400000000, 0.0012171400000000 ] - [ -0.0000949600000000, 0.0008058800000000, 0.0001383700000000 ] - [ 0.0000949600000000, 0.0008058800000000, 0.0001383700000000 ] - [ 0.0000000000000000, -0.0010849200000000, 0.0030495100000000 ] - [ -0.0002846600000000, -0.0010847100000000, 0.0000887100000000 ] - [ 0.0002846600000000, -0.0010847100000000, 0.0000887100000000 ] - [ 0.0000000000000000, -0.0010849200000000, -0.0030495100000000 ] - [ -0.0002846600000000, -0.0010847100000000, -0.0000887100000000 ] - [ 0.0002846600000000, -0.0010847100000000, -0.0000887100000000 ] - [ 0.0000000000000000, -0.0009603000000000, -0.0000883700000000 ] - [ -0.0000321800000000, -0.0009029900000000, -0.0000140500000000 ] - [ 0.0000321800000000, -0.0009029900000000, -0.0000140500000000 ] - [ 0.0000000000000000, -0.0009603000000000, 0.0000883700000000 ] - [ -0.0000321800000000, -0.0009029900000000, 0.0000140500000000 ] - [ 0.0000321800000000, -0.0009029900000000, 0.0000140500000000 ] - [ -0.0002019600000000, 0.0010799800000000, 0.0000000000000000 ] - [ 0.0002019600000000, 0.0010799800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008510600000000, 0.0000000000000000 ] - [ -0.0000512600000000, 0.0009752800000000, 0.0004332500000000 ] - [ 0.0000512600000000, 0.0009752800000000, 0.0004332500000000 ] - [ 0.0000000000000000, 0.0008368300000000, 0.0001024000000000 ] - [ -0.0000124700000000, 0.0008645400000000, 0.0000000000000000 ] - [ 0.0000124700000000, 0.0008645400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008600900000000, 0.0000000000000000 ] - [ -0.0000512600000000, 0.0009752800000000, -0.0004332500000000 ] - [ 0.0000512600000000, 0.0009752800000000, -0.0004332500000000 ] - [ 0.0000000000000000, 0.0008368300000000, -0.0001024000000000 ] - [ 0.0000000000000000, 0.5138989400000000, 0.0000000000000000 ] - [ 0.0003590200000000, 0.0017745000000000, 0.0000000000000000 ] - [ -0.0003590200000000, 0.0017745000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022204500000000, 0.0005409300000000 ] - [ 0.0000104600000000, 0.0002532400000000, -0.0000307100000000 ] - [ -0.0000104600000000, 0.0002532400000000, -0.0000307100000000 ] - [ 0.0000000000000000, 0.0000304300000000, 0.0000000000000000 ] - [ 0.0000460500000000, -0.0001100000000000, 0.0000000000000000 ] - [ -0.0000460500000000, -0.0001100000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022204500000000, -0.0005409300000000 ] - [ 0.0000104600000000, 0.0002532400000000, 0.0000307100000000 ] - [ -0.0000104600000000, 0.0002532400000000, 0.0000307100000000 ] - [ 0.0016882000000000, -0.0020560800000000, 0.0017498900000000 ] - [ -0.0016882000000000, -0.0020560800000000, 0.0017498900000000 ] - [ 0.0000000000000000, 0.0003685800000000, 0.0001497200000000 ] - [ 0.0016882000000000, -0.0020560800000000, -0.0017498900000000 ] - [ -0.0016882000000000, -0.0020560800000000, -0.0017498900000000 ] - [ 0.0000000000000000, 0.0003685800000000, -0.0001497200000000 ] - [ 0.0000449900000000, 0.0003576900000000, -0.0004010400000000 ] - [ -0.0000449900000000, 0.0003576900000000, -0.0004010400000000 ] - [ 0.0000000000000000, 0.0003195000000000, -0.0001476100000000 ] - [ 0.0000449900000000, 0.0003576900000000, 0.0004010400000000 ] - [ -0.0000449900000000, 0.0003576900000000, 0.0004010400000000 ] - [ 0.0000000000000000, 0.0003195000000000, 0.0001476100000000 ] - [ -0.0001157000000000, -0.0019113400000000, 0.0000000000000000 ] - [ 0.0001157000000000, -0.0019113400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008203800000000, 0.0000000000000000 ] - [ -0.0001372700000000, -0.0013216400000000, -0.0002508400000000 ] - [ 0.0001372700000000, -0.0013216400000000, -0.0002508400000000 ] - [ 0.0000000000000000, -0.0006271800000000, -0.0000919100000000 ] - [ -0.0000177800000000, -0.0005498200000000, 0.0000000000000000 ] - [ 0.0000177800000000, -0.0005498200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004752000000000, 0.0000000000000000 ] - [ -0.0001372700000000, -0.0013216400000000, 0.0002508400000000 ] - [ 0.0001372700000000, -0.0013216400000000, 0.0002508400000000 ] - [ 0.0000000000000000, -0.0006271800000000, 0.0000919100000000 ] - [ 0.0000000000000000, -0.0038614800000000, -0.0047049600000000 ] - [ 0.0008771600000000, 0.0001439300000000, -0.0002495200000000 ] - [ -0.0008771600000000, 0.0001439300000000, -0.0002495200000000 ] - [ 0.0000000000000000, -0.0038614800000000, 0.0047049600000000 ] - [ 0.0008771600000000, 0.0001439300000000, 0.0002495200000000 ] - [ -0.0008771600000000, 0.0001439300000000, 0.0002495200000000 ] - [ 0.0000000000000000, 0.0002491100000000, 0.0007339500000000 ] - [ 0.0001446700000000, 0.0002683600000000, 0.0001447800000000 ] - [ -0.0001446700000000, 0.0002683600000000, 0.0001447800000000 ] - [ 0.0000000000000000, 0.0002491100000000, -0.0007339500000000 ] - [ 0.0001446700000000, 0.0002683600000000, -0.0001447800000000 ] - [ -0.0001446700000000, 0.0002683600000000, -0.0001447800000000 ] - [ 0.0005555100000000, -0.0040679400000000, 0.0003764600000000 ] - [ -0.0005555100000000, -0.0040679400000000, 0.0003764600000000 ] - [ 0.0000000000000000, -0.0004828100000000, 0.0000164300000000 ] - [ 0.0005555100000000, -0.0040679400000000, -0.0003764600000000 ] - [ -0.0005555100000000, -0.0040679400000000, -0.0003764600000000 ] - [ 0.0000000000000000, -0.0004828100000000, -0.0000164300000000 ] - [ 0.0001372200000000, -0.0003340200000000, 0.0000424000000000 ] - [ -0.0001372200000000, -0.0003340200000000, 0.0000424000000000 ] - [ 0.0000000000000000, -0.0002009500000000, 0.0000251000000000 ] - [ 0.0001372200000000, -0.0003340200000000, -0.0000424000000000 ] - [ -0.0001372200000000, -0.0003340200000000, -0.0000424000000000 ] - [ 0.0000000000000000, -0.0002009500000000, -0.0000251000000000 ] - [ 0.0000000000000000, -0.0126616900000000, 0.0000000000000000 ] - [ 0.0014115300000000, 0.0000856400000000, 0.0000000000000000 ] - [ -0.0014115300000000, 0.0000856400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000715400000000, 0.0015629100000000 ] - [ 0.0003466000000000, -0.0001525200000000, 0.0004427200000000 ] - [ -0.0003466000000000, -0.0001525200000000, 0.0004427200000000 ] - [ 0.0000000000000000, -0.0001174700000000, 0.0000000000000000 ] - [ 0.0000697100000000, -0.0000505400000000, 0.0000000000000000 ] - [ -0.0000697100000000, -0.0000505400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000715400000000, -0.0015629100000000 ] - [ 0.0003466000000000, -0.0001525200000000, -0.0004427200000000 ] - [ -0.0003466000000000, -0.0001525200000000, -0.0004427200000000 ] - [ 0.0000000000000000, 0.0019494100000000, -0.0000543400000000 ] - [ 0.0000131900000000, 0.0006399900000000, -0.0000202000000000 ] - [ -0.0000131900000000, 0.0006399900000000, -0.0000202000000000 ] - [ 0.0000000000000000, 0.0019494100000000, 0.0000543400000000 ] - [ 0.0000131900000000, 0.0006399900000000, 0.0000202000000000 ] - [ -0.0000131900000000, 0.0006399900000000, 0.0000202000000000 ] - [ 0.0000000000000000, 0.0003536300000000, -0.0000859400000000 ] - [ 0.0000244500000000, 0.0001584300000000, 0.0000142500000000 ] - [ -0.0000244500000000, 0.0001584300000000, 0.0000142500000000 ] - [ 0.0000000000000000, 0.0003536300000000, 0.0000859400000000 ] - [ 0.0000244500000000, 0.0001584300000000, -0.0000142500000000 ] - [ -0.0000244500000000, 0.0001584300000000, -0.0000142500000000 ] - [ 0.0017773800000000, 0.0020734300000000, 0.0000000000000000 ] - [ -0.0017773800000000, 0.0020734300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002382100000000, 0.0000000000000000 ] - [ 0.0008310100000000, 0.0004047900000000, -0.0008304800000000 ] - [ -0.0008310100000000, 0.0004047900000000, -0.0008304800000000 ] - [ 0.0000000000000000, 0.0001786800000000, -0.0001849700000000 ] - [ 0.0001739000000000, 0.0001715000000000, 0.0000000000000000 ] - [ -0.0001739000000000, 0.0001715000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001182400000000, 0.0000000000000000 ] - [ 0.0008310100000000, 0.0004047900000000, 0.0008304800000000 ] - [ -0.0008310100000000, 0.0004047900000000, 0.0008304800000000 ] - [ 0.0000000000000000, 0.0001786800000000, 0.0001849700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002066800000000, -0.0009092500000000, 0.0002477300000000 ] - [ -0.0002066800000000, -0.0009092500000000, 0.0002477300000000 ] - [ 0.0000000000000000, -0.0007904200000000, 0.0001043100000000 ] - [ -0.0002099800000000, -0.0007501800000000, 0.0002465300000000 ] - [ 0.0002099800000000, -0.0007501800000000, 0.0002465300000000 ] - [ 0.0000000000000000, -0.0008724300000000, 0.0001048500000000 ] - [ -0.0000249800000000, -0.0008164400000000, -0.0001542800000000 ] - [ 0.0000249800000000, -0.0008164400000000, -0.0001542800000000 ] - [ 0.0000000000000000, -0.0008409900000000, -0.0001044900000000 ] - [ 0.0000192000000000, -0.0008378300000000, -0.0001549600000000 ] - [ -0.0000192000000000, -0.0008378300000000, -0.0001549600000000 ] - [ 0.0000000000000000, -0.0008108500000000, -0.0001048200000000 ] - [ 0.0000000000000000, 0.0031838300000000, 0.0027848800000000 ] - [ -0.0000014600000000, 0.0008283900000000, 0.0006561300000000 ] - [ 0.0000014600000000, 0.0008283900000000, 0.0006561300000000 ] - [ 0.0000000000000000, 0.0017745200000000, -0.0015005000000000 ] - [ -0.0002254900000000, 0.0010313000000000, -0.0001121900000000 ] - [ 0.0002254900000000, 0.0010313000000000, -0.0001121900000000 ] - [ 0.0000000000000000, 0.0008318800000000, -0.0007164300000000 ] - [ -0.0000029800000000, 0.0008268900000000, -0.0003004500000000 ] - [ 0.0000029800000000, 0.0008268900000000, -0.0003004500000000 ] - [ 0.0000000000000000, -0.0001080600000000, -0.0014856200000000 ] - [ 0.0002186500000000, 0.0006238700000000, -0.0001129700000000 ] - [ -0.0002186500000000, 0.0006238700000000, -0.0001129700000000 ] - [ 0.0000000000000000, -0.0031210800000000, -0.0026725400000000 ] - [ 0.0003869200000000, -0.0007199800000000, 0.0002754900000000 ] - [ -0.0003869200000000, -0.0007199800000000, 0.0002754900000000 ] - [ 0.0000000000000000, 0.0015199400000000, -0.0026911800000000 ] - [ -0.0003940900000000, -0.0009343900000000, 0.0002796300000000 ] - [ 0.0003940900000000, -0.0009343900000000, 0.0002796300000000 ] - [ 0.0000000000000000, -0.0005130600000000, -0.0010273100000000 ] - [ -0.0000692700000000, -0.0008352400000000, -0.0003086000000000 ] - [ 0.0000692700000000, -0.0008352400000000, -0.0003086000000000 ] - [ 0.0000000000000000, -0.0011457300000000, -0.0010253600000000 ] - [ 0.0000631000000000, -0.0008258700000000, -0.0003093100000000 ] - [ -0.0000631000000000, -0.0008258700000000, -0.0003093100000000 ] - [ -0.0000029000000000, 0.0008298300000000, 0.0004444900000000 ] - [ 0.0000029000000000, 0.0008298300000000, 0.0004444900000000 ] - [ 0.0000000000000000, 0.0008327900000000, 0.0001952800000000 ] - [ -0.0000181600000000, 0.0007461400000000, -0.0000869700000000 ] - [ 0.0000181600000000, 0.0007461400000000, -0.0000869700000000 ] - [ 0.0000000000000000, 0.0008304100000000, -0.0000111000000000 ] - [ -0.0000028000000000, 0.0008260800000000, -0.0002713400000000 ] - [ 0.0000028000000000, 0.0008260800000000, -0.0002713400000000 ] - [ 0.0000000000000000, 0.0008315500000000, -0.0001702300000000 ] - [ 0.0000124200000000, 0.0009077300000000, -0.0000890300000000 ] - [ -0.0000124200000000, 0.0009077300000000, -0.0000890300000000 ] - [ 0.0000000000000000, 0.0008223900000000, -0.0000124900000000 ] - [ 0.0000000000000000, -0.0027553400000000, -0.0349648700000000 ] - [ -0.0000089900000000, -0.0002917400000000, -0.0026533300000000 ] - [ 0.0000089900000000, -0.0002917400000000, -0.0026533300000000 ] - [ 0.0000000000000000, 0.0002740800000000, 0.0089673200000000 ] - [ 0.0012045800000000, -0.0003209100000000, 0.0005557900000000 ] - [ -0.0012045800000000, -0.0003209100000000, 0.0005557900000000 ] - [ 0.0000000000000000, -0.0002898100000000, 0.0026983100000000 ] - [ 0.0000079400000000, -0.0002885200000000, 0.0010166400000000 ] - [ -0.0000079400000000, -0.0002885200000000, 0.0010166400000000 ] - [ 0.0000000000000000, -0.0008329500000000, 0.0088924400000000 ] - [ -0.0011862200000000, -0.0002555500000000, 0.0005620400000000 ] - [ 0.0011862200000000, -0.0002555500000000, 0.0005620400000000 ] - [ 0.0005402300000000, -0.0014663500000000, -0.0007046800000000 ] - [ -0.0005402300000000, -0.0014663500000000, -0.0007046800000000 ] - [ 0.0000000000000000, 0.0001430900000000, -0.0004290200000000 ] - [ -0.0005267100000000, 0.0020411700000000, -0.0007070100000000 ] - [ 0.0005267100000000, 0.0020411700000000, -0.0007070100000000 ] - [ 0.0000000000000000, 0.0004369800000000, -0.0004334800000000 ] - [ -0.0001861100000000, 0.0006900900000000, 0.0007843500000000 ] - [ 0.0001861100000000, 0.0006900900000000, 0.0007843500000000 ] - [ 0.0000000000000000, 0.0004335500000000, 0.0004286600000000 ] - [ 0.0001992100000000, -0.0001098300000000, 0.0007876100000000 ] - [ -0.0001992100000000, -0.0001098300000000, 0.0007876100000000 ] - [ 0.0000000000000000, 0.0001376100000000, 0.0004316500000000 ] - [ 0.0000057900000000, -0.0002937500000000, -0.0011948900000000 ] - [ -0.0000057900000000, -0.0002937500000000, -0.0011948900000000 ] - [ 0.0000000000000000, -0.0002936100000000, -0.0005883200000000 ] - [ -0.0002235300000000, -0.0005445000000000, 0.0002408100000000 ] - [ 0.0002235300000000, -0.0005445000000000, 0.0002408100000000 ] - [ 0.0000000000000000, -0.0003770800000000, 0.0000471800000000 ] - [ 0.0000064300000000, -0.0002871400000000, 0.0007412700000000 ] - [ -0.0000064300000000, -0.0002871400000000, 0.0007412700000000 ] - [ 0.0000000000000000, -0.0002915300000000, 0.0004932700000000 ] - [ 0.0002352400000000, -0.0000338100000000, 0.0002447400000000 ] - [ -0.0002352400000000, -0.0000338100000000, 0.0002447400000000 ] - [ 0.0000000000000000, -0.0001946900000000, 0.0000506900000000 ] - [ 0.0000000000000000, 0.0049347000000000, 0.0010915500000000 ] - [ -0.0008066300000000, 0.0005356200000000, -0.0006631400000000 ] - [ 0.0008066300000000, 0.0005356200000000, -0.0006631400000000 ] - [ 0.0000000000000000, -0.0044253400000000, 0.0011029800000000 ] - [ 0.0008259300000000, 0.0000445900000000, -0.0006682600000000 ] - [ -0.0008259300000000, 0.0000445900000000, -0.0006682600000000 ] - [ 0.0000000000000000, -0.0004425300000000, 0.0018490300000000 ] - [ 0.0002305700000000, 0.0001450000000000, 0.0007030600000000 ] - [ -0.0002305700000000, 0.0001450000000000, 0.0007030600000000 ] - [ 0.0000000000000000, 0.0010169400000000, 0.0018477400000000 ] - [ -0.0002142400000000, 0.0004374500000000, 0.0007049700000000 ] - [ 0.0002142400000000, 0.0004374500000000, 0.0007049700000000 ] - [ 0.0004195200000000, 0.0006958200000000, 0.0050781700000000 ] - [ -0.0004195200000000, 0.0006958200000000, 0.0050781700000000 ] - [ 0.0000000000000000, 0.0000515000000000, 0.0005576600000000 ] - [ -0.0005971700000000, -0.0007412300000000, 0.0052966700000000 ] - [ 0.0005971700000000, -0.0007412300000000, 0.0052966700000000 ] - [ 0.0000000000000000, -0.0001285800000000, 0.0005646000000000 ] - [ 0.0007385200000000, -0.0002843200000000, -0.0012980600000000 ] - [ -0.0007385200000000, -0.0002843200000000, -0.0012980600000000 ] - [ 0.0000000000000000, -0.0001291300000000, -0.0005634300000000 ] - [ -0.0006595600000000, 0.0001956400000000, -0.0012970100000000 ] - [ 0.0006595600000000, 0.0001956400000000, -0.0012970100000000 ] - [ 0.0000000000000000, 0.0000507100000000, -0.0005636700000000 ] - [ 0.0000000000000000, 0.0000677100000000, 0.0030482100000000 ] - [ 0.0000378800000000, 0.0000460300000000, 0.0009717900000000 ] - [ -0.0000378800000000, 0.0000460300000000, 0.0009717900000000 ] - [ 0.0000000000000000, -0.0016432700000000, -0.0008762900000000 ] - [ -0.0003406000000000, -0.0002975200000000, -0.0001976100000000 ] - [ 0.0003406000000000, -0.0002975200000000, -0.0001976100000000 ] - [ 0.0000000000000000, 0.0000373300000000, -0.0008547400000000 ] - [ 0.0000368200000000, 0.0000440500000000, -0.0005335500000000 ] - [ -0.0000368200000000, 0.0000440500000000, -0.0005335500000000 ] - [ 0.0000000000000000, 0.0017163600000000, -0.0008827100000000 ] - [ 0.0004148400000000, 0.0003839100000000, -0.0002000300000000 ] - [ -0.0004148400000000, 0.0003839100000000, -0.0002000300000000 ] - [ 0.0000000000000000, -0.0009338400000000, 0.0005583900000000 ] - [ 0.0002192000000000, -0.0001619200000000, 0.0003366100000000 ] - [ -0.0002192000000000, -0.0001619200000000, 0.0003366100000000 ] - [ 0.0000000000000000, 0.0008613000000000, 0.0005571900000000 ] - [ -0.0001457100000000, 0.0000759300000000, 0.0003363700000000 ] - [ 0.0001457100000000, 0.0000759300000000, 0.0003363700000000 ] - [ 0.0000000000000000, 0.0001958100000000, -0.0005204800000000 ] - [ -0.0000604900000000, 0.0000132600000000, -0.0003339600000000 ] - [ 0.0000604900000000, 0.0000132600000000, -0.0003339600000000 ] - [ 0.0000000000000000, -0.0002716100000000, -0.0005204400000000 ] - [ 0.0001346700000000, -0.0000999300000000, -0.0003342800000000 ] - [ -0.0001346700000000, -0.0000999300000000, -0.0003342800000000 ] - [ 0.0000418100000000, 0.0000424500000000, 0.0024806100000000 ] - [ -0.0000418100000000, 0.0000424500000000, 0.0024806100000000 ] - [ 0.0000000000000000, 0.0000359500000000, 0.0007596200000000 ] - [ 0.0008823700000000, 0.0007216400000000, -0.0006687800000000 ] - [ -0.0008823700000000, 0.0007216400000000, -0.0006687800000000 ] - [ 0.0000000000000000, 0.0002449700000000, -0.0001240000000000 ] - [ 0.0000380000000000, 0.0000438100000000, -0.0007968300000000 ] - [ -0.0000380000000000, 0.0000438100000000, -0.0007968300000000 ] - [ 0.0000000000000000, 0.0000382300000000, -0.0005107700000000 ] - [ -0.0008042500000000, -0.0006325800000000, -0.0006678800000000 ] - [ 0.0008042500000000, -0.0006325800000000, -0.0006678800000000 ] - [ 0.0000000000000000, -0.0001679700000000, -0.0001257100000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010864100000000, -0.0008249000000000, 0.0000000000000000 ] - [ -0.0002082700000000, -0.0008598500000000, 0.0000000000000000 ] - [ -0.0002150100000000, -0.0008090400000000, 0.0000000000000000 ] - [ 0.0000442900000000, -0.0008322500000000, 0.0000002800000000 ] - [ -0.0000071200000000, -0.0008467700000000, 0.0000291500000000 ] - [ -0.0000182600000000, -0.0008123800000000, -0.0000284800000000 ] - [ -0.0000011800000000, -0.0008260500000000, 0.0000000000000000 ] - [ 0.0000066200000000, -0.0008391000000000, 0.0000000000000000 ] - [ -0.0000046300000000, -0.0008158500000000, 0.0000000000000000 ] - [ 0.0000442900000000, -0.0008322500000000, -0.0000002800000000 ] - [ -0.0000071200000000, -0.0008467700000000, -0.0000291500000000 ] - [ -0.0000182600000000, -0.0008123800000000, 0.0000284800000000 ] - [ 0.0007992000000000, 0.0001180400000000, 0.0016558800000000 ] - [ 0.0003464100000000, 0.0008311300000000, 0.0000004700000000 ] - [ 0.0008080400000000, 0.0015392700000000, -0.0016356200000000 ] - [ -0.0000399300000000, 0.0008041100000000, 0.0001699500000000 ] - [ 0.0000690600000000, 0.0008275900000000, 0.0000002800000000 ] - [ -0.0000287700000000, 0.0008587800000000, -0.0001704600000000 ] - [ -0.0000399300000000, 0.0008041100000000, -0.0001699500000000 ] - [ 0.0000690600000000, 0.0008275900000000, -0.0000002800000000 ] - [ -0.0000287700000000, 0.0008587800000000, 0.0001704600000000 ] - [ 0.0007992000000000, 0.0001180400000000, -0.0016558800000000 ] - [ 0.0003464100000000, 0.0008311300000000, -0.0000004700000000 ] - [ 0.0008080400000000, 0.0015392700000000, 0.0016356200000000 ] - [ 0.0013466900000000, -0.0028303400000000, 0.0000000000000000 ] - [ 0.0003637300000000, -0.0008241900000000, 0.0000000000000000 ] - [ 0.0013581200000000, 0.0011466100000000, 0.0000000000000000 ] - [ -0.0000841900000000, -0.0012240300000000, 0.0006995500000000 ] - [ 0.0001665700000000, -0.0008326900000000, 0.0000006200000000 ] - [ -0.0000738300000000, -0.0004336500000000, -0.0006997000000000 ] - [ -0.0000256500000000, -0.0008974600000000, 0.0000000000000000 ] - [ 0.0000403600000000, -0.0008253800000000, 0.0000000000000000 ] - [ -0.0000144000000000, -0.0007744400000000, 0.0000000000000000 ] - [ -0.0000841900000000, -0.0012240300000000, -0.0006995500000000 ] - [ 0.0001665700000000, -0.0008326900000000, -0.0000006200000000 ] - [ -0.0000738300000000, -0.0004336500000000, 0.0006997000000000 ] - [ -0.0000273300000000, 0.0008271200000000, -0.0000016900000000 ] - [ 0.0000262200000000, 0.0009447500000000, 0.0001119900000000 ] - [ 0.0000155100000000, 0.0007160800000000, -0.0001101300000000 ] - [ -0.0000007300000000, 0.0008261100000000, 0.0000001400000000 ] - [ 0.0000068600000000, 0.0008749100000000, 0.0000504500000000 ] - [ -0.0000043200000000, 0.0007887200000000, -0.0000497500000000 ] - [ -0.0000007300000000, 0.0008261100000000, -0.0000001400000000 ] - [ 0.0000068600000000, 0.0008749100000000, -0.0000504500000000 ] - [ -0.0000043200000000, 0.0007887200000000, 0.0000497500000000 ] - [ -0.0000273300000000, 0.0008271200000000, 0.0000016900000000 ] - [ 0.0000262200000000, 0.0009447500000000, -0.0001119900000000 ] - [ 0.0000155100000000, 0.0007160800000000, 0.0001101300000000 ] - [ 0.0049707800000000, -0.0008286800000000, 0.0006177200000000 ] - [ -0.0018439200000000, -0.0002947100000000, -0.0000037200000000 ] - [ 0.0047157800000000, 0.0001929300000000, -0.0003983300000000 ] - [ 0.0002111200000000, -0.0003892800000000, -0.0006992800000000 ] - [ -0.0003945800000000, -0.0002921900000000, -0.0000008100000000 ] - [ 0.0001829100000000, -0.0001927400000000, 0.0006997400000000 ] - [ 0.0002111200000000, -0.0003892800000000, 0.0006992800000000 ] - [ -0.0003945800000000, -0.0002921900000000, 0.0000008100000000 ] - [ 0.0001829100000000, -0.0001927400000000, -0.0006997400000000 ] - [ 0.0049707800000000, -0.0008286800000000, -0.0006177200000000 ] - [ -0.0018439200000000, -0.0002947100000000, 0.0000037200000000 ] - [ 0.0047157800000000, 0.0001929300000000, 0.0003983300000000 ] - [ 0.0027981500000000, 0.0002693200000000, 0.0000000000000000 ] - [ -0.0011758900000000, -0.0010905200000000, 0.0000000000000000 ] - [ -0.0011442500000000, 0.0016675400000000, 0.0000000000000000 ] - [ 0.0007209400000000, 0.0002986900000000, 0.0000011100000000 ] - [ -0.0003527300000000, -0.0000178900000000, -0.0003797400000000 ] - [ -0.0003248600000000, 0.0005992900000000, 0.0003753700000000 ] - [ 0.0001655000000000, 0.0002919500000000, 0.0000000000000000 ] - [ -0.0000969100000000, 0.0002579600000000, 0.0000000000000000 ] - [ -0.0000681300000000, 0.0003214100000000, 0.0000000000000000 ] - [ 0.0007209400000000, 0.0002986900000000, -0.0000011100000000 ] - [ -0.0003527300000000, -0.0000178900000000, 0.0003797400000000 ] - [ -0.0003248600000000, 0.0005992900000000, -0.0003753700000000 ] - [ 0.0003860800000000, -0.0002912100000000, 0.0000011300000000 ] - [ -0.0002164500000000, -0.0003122600000000, -0.0001835000000000 ] - [ -0.0001895800000000, -0.0002719600000000, 0.0001804600000000 ] - [ 0.0001664700000000, -0.0002910900000000, -0.0000003400000000 ] - [ -0.0000973300000000, -0.0003069900000000, -0.0000976800000000 ] - [ -0.0000693300000000, -0.0002775800000000, 0.0000961900000000 ] - [ 0.0001664700000000, -0.0002910900000000, 0.0000003400000000 ] - [ -0.0000973300000000, -0.0003069900000000, 0.0000976800000000 ] - [ -0.0000693300000000, -0.0002775800000000, -0.0000961900000000 ] - [ 0.0003860800000000, -0.0002912100000000, -0.0000011300000000 ] - [ -0.0002164500000000, -0.0003122600000000, 0.0001835000000000 ] - [ -0.0001895800000000, -0.0002719600000000, -0.0001804600000000 ] - [ -0.0000054100000000, 0.0020190600000000, 0.0000000000000000 ] - [ -0.0010629900000000, 0.0002893400000000, 0.0000000000000000 ] - [ -0.0000420100000000, -0.0014379600000000, 0.0000000000000000 ] - [ 0.0002700300000000, 0.0010795100000000, -0.0008443900000000 ] - [ -0.0005248500000000, 0.0002979100000000, -0.0000014500000000 ] - [ 0.0002416100000000, -0.0005031100000000, 0.0008432000000000 ] - [ 0.0001111200000000, 0.0004339700000000, 0.0000000000000000 ] - [ -0.0001931900000000, 0.0002887500000000, 0.0000000000000000 ] - [ 0.0000829000000000, 0.0001571900000000, 0.0000000000000000 ] - [ 0.0002700300000000, 0.0010795100000000, 0.0008443900000000 ] - [ -0.0005248500000000, 0.0002979100000000, 0.0000014500000000 ] - [ 0.0002416100000000, -0.0005031100000000, -0.0008432000000000 ] - [ -0.0367412700000000, 0.0000920100000000, 0.0000000000000000 ] - [ 0.0049793200000000, -0.0000327000000000, 0.0000000000000000 ] - [ 0.0050555000000000, -0.0000469000000000, 0.0000000000000000 ] - [ -0.0019898000000000, -0.0000470300000000, -0.0000082100000000 ] - [ 0.0007345700000000, 0.0000653300000000, 0.0006409600000000 ] - [ 0.0008849600000000, -0.0001434900000000, -0.0006390700000000 ] - [ -0.0003858500000000, -0.0000474400000000, 0.0000000000000000 ] - [ 0.0001188500000000, -0.0000243500000000, 0.0000000000000000 ] - [ 0.0002688900000000, -0.0000522700000000, 0.0000000000000000 ] - [ -0.0019898000000000, -0.0000470300000000, 0.0000082100000000 ] - [ 0.0007345700000000, 0.0000653300000000, -0.0006409600000000 ] - [ 0.0008849600000000, -0.0001434900000000, 0.0006390700000000 ] - [ 0.0008512400000000, 0.0034561700000000, 0.0027129500000000 ] - [ 0.0008829300000000, 0.0000476100000000, 0.0000020500000000 ] - [ 0.0007169700000000, -0.0033621200000000, -0.0026925300000000 ] - [ -0.0000602700000000, 0.0002086800000000, 0.0001672500000000 ] - [ 0.0002713000000000, 0.0000474800000000, 0.0000001700000000 ] - [ -0.0002079000000000, -0.0001334800000000, -0.0001678500000000 ] - [ -0.0000602700000000, 0.0002086800000000, -0.0001672500000000 ] - [ 0.0002713000000000, 0.0000474800000000, -0.0000001700000000 ] - [ -0.0002079000000000, -0.0001334800000000, 0.0001678500000000 ] - [ 0.0008512400000000, 0.0034561700000000, -0.0027129500000000 ] - [ 0.0008829300000000, 0.0000476100000000, -0.0000020500000000 ] - [ 0.0007169700000000, -0.0033621200000000, 0.0026925300000000 ] - [ -0.0001830200000000, -0.0004739400000000, 0.0000000000000000 ] - [ 0.0004866500000000, -0.0000468300000000, 0.0000000000000000 ] - [ -0.0003292200000000, 0.0003970500000000, 0.0000000000000000 ] - [ -0.0000682100000000, -0.0002079300000000, 0.0000893000000000 ] - [ 0.0002852500000000, -0.0000466400000000, 0.0000005200000000 ] - [ -0.0002169700000000, 0.0001325800000000, -0.0000899200000000 ] - [ -0.0000031900000000, -0.0001011200000000, 0.0000000000000000 ] - [ 0.0001553500000000, -0.0000478100000000, 0.0000000000000000 ] - [ -0.0001523100000000, 0.0000269100000000, 0.0000000000000000 ] - [ -0.0000682100000000, -0.0002079300000000, -0.0000893000000000 ] - [ 0.0002852500000000, -0.0000466400000000, -0.0000005200000000 ] - [ -0.0002169700000000, 0.0001325800000000, 0.0000899200000000 ] - [ -0.0014341300000000, 0.0000493000000000, -0.0000009400000000 ] - [ 0.0005819500000000, -0.0003735800000000, 0.0002416300000000 ] - [ 0.0007317400000000, 0.0004478100000000, -0.0002399900000000 ] - [ -0.0004147600000000, 0.0000466900000000, 0.0000002800000000 ] - [ 0.0001326200000000, -0.0000146000000000, 0.0001123700000000 ] - [ 0.0002830400000000, 0.0000884300000000, -0.0001121500000000 ] - [ -0.0004147600000000, 0.0000466900000000, -0.0000002800000000 ] - [ 0.0001326200000000, -0.0000146000000000, -0.0001123700000000 ] - [ 0.0002830400000000, 0.0000884300000000, 0.0001121500000000 ] - [ -0.0014341300000000, 0.0000493000000000, 0.0000009400000000 ] - [ 0.0005819500000000, -0.0003735800000000, -0.0002416300000000 ] - [ 0.0007317400000000, 0.0004478100000000, 0.0002399900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0023968700000000, 0.0000000000000000 ] - [ 0.0001543200000000, -0.0005538500000000, 0.0000000000000000 ] - [ -0.0001543200000000, -0.0005538500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006320200000000, 0.0002024600000000 ] - [ 0.0000737600000000, -0.0007242100000000, 0.0000805700000000 ] - [ -0.0000737600000000, -0.0007242100000000, 0.0000805700000000 ] - [ 0.0000000000000000, -0.0007892600000000, 0.0000000000000000 ] - [ 0.0000202100000000, -0.0007989600000000, 0.0000000000000000 ] - [ -0.0000202100000000, -0.0007989600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006320200000000, -0.0002024600000000 ] - [ 0.0000737600000000, -0.0007242100000000, -0.0000805700000000 ] - [ -0.0000737600000000, -0.0007242100000000, -0.0000805700000000 ] - [ -0.0022284100000000, 0.0020784400000000, -0.0022926200000000 ] - [ 0.0000000000000000, 0.0008835000000000, -0.0001063900000000 ] - [ 0.0022284100000000, 0.0020784400000000, -0.0022926200000000 ] - [ -0.0000237300000000, 0.0008312800000000, -0.0001101600000000 ] - [ 0.0000000000000000, 0.0008422000000000, -0.0000448600000000 ] - [ 0.0000237300000000, 0.0008312800000000, -0.0001101600000000 ] - [ -0.0000237300000000, 0.0008312800000000, 0.0001101600000000 ] - [ 0.0000000000000000, 0.0008422000000000, 0.0000448600000000 ] - [ 0.0000237300000000, 0.0008312800000000, 0.0001101600000000 ] - [ -0.0022284100000000, 0.0020784400000000, 0.0022926200000000 ] - [ 0.0000000000000000, 0.0008835000000000, 0.0001063900000000 ] - [ 0.0022284100000000, 0.0020784400000000, 0.0022926200000000 ] - [ -0.0034004900000000, -0.0001945500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009734600000000, 0.0000000000000000 ] - [ 0.0034004900000000, -0.0001945500000000, 0.0000000000000000 ] - [ -0.0001083700000000, -0.0008937200000000, -0.0002585500000000 ] - [ 0.0000000000000000, -0.0008952400000000, -0.0000664100000000 ] - [ 0.0001083700000000, -0.0008937200000000, -0.0002585500000000 ] - [ -0.0000136200000000, -0.0008471500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008441600000000, 0.0000000000000000 ] - [ 0.0000136200000000, -0.0008471500000000, 0.0000000000000000 ] - [ -0.0001083700000000, -0.0008937200000000, 0.0002585500000000 ] - [ 0.0000000000000000, -0.0008952400000000, 0.0000664100000000 ] - [ 0.0001083700000000, -0.0008937200000000, 0.0002585500000000 ] - [ 0.0000000000000000, 0.0013689100000000, 0.0010720800000000 ] - [ 0.0001492200000000, 0.0008297100000000, 0.0001918300000000 ] - [ -0.0001492200000000, 0.0008297100000000, 0.0001918300000000 ] - [ 0.0000000000000000, 0.0008956200000000, 0.0001806800000000 ] - [ 0.0000276400000000, 0.0008294100000000, 0.0000514500000000 ] - [ -0.0000276400000000, 0.0008294100000000, 0.0000514500000000 ] - [ 0.0000000000000000, 0.0008956200000000, -0.0001806800000000 ] - [ 0.0000276400000000, 0.0008294100000000, -0.0000514500000000 ] - [ -0.0000276400000000, 0.0008294100000000, -0.0000514500000000 ] - [ 0.0000000000000000, 0.0013689100000000, -0.0010720800000000 ] - [ 0.0001492200000000, 0.0008297100000000, -0.0001918300000000 ] - [ -0.0001492200000000, 0.0008297100000000, -0.0001918300000000 ] - [ 0.0006617600000000, 0.0037265400000000, 0.0007205100000000 ] - [ 0.0000000000000000, 0.0001503000000000, 0.0000895300000000 ] - [ -0.0006617600000000, 0.0037265400000000, 0.0007205100000000 ] - [ 0.0000060400000000, 0.0000032500000000, 0.0002416700000000 ] - [ 0.0000000000000000, -0.0001340400000000, 0.0000904400000000 ] - [ -0.0000060400000000, 0.0000032500000000, 0.0002416700000000 ] - [ 0.0000060400000000, 0.0000032500000000, -0.0002416700000000 ] - [ 0.0000000000000000, -0.0001340400000000, -0.0000904400000000 ] - [ -0.0000060400000000, 0.0000032500000000, -0.0002416700000000 ] - [ 0.0006617600000000, 0.0037265400000000, -0.0007205100000000 ] - [ 0.0000000000000000, 0.0001503000000000, -0.0000895300000000 ] - [ -0.0006617600000000, 0.0037265400000000, -0.0007205100000000 ] - [ 0.0000000000000000, 0.0140407800000000, 0.0000000000000000 ] - [ -0.0014642300000000, 0.0002711300000000, 0.0000000000000000 ] - [ 0.0014642300000000, 0.0002711300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002745700000000, -0.0016851500000000 ] - [ -0.0002995400000000, 0.0004869700000000, -0.0003415200000000 ] - [ 0.0002995400000000, 0.0004869700000000, -0.0003415200000000 ] - [ 0.0000000000000000, 0.0004505700000000, 0.0000000000000000 ] - [ -0.0000670400000000, 0.0003827300000000, 0.0000000000000000 ] - [ 0.0000670400000000, 0.0003827300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002745700000000, 0.0016851500000000 ] - [ -0.0002995400000000, 0.0004869700000000, 0.0003415200000000 ] - [ 0.0002995400000000, 0.0004869700000000, 0.0003415200000000 ] - [ 0.0000000000000000, -0.0022701800000000, -0.0008977900000000 ] - [ -0.0001865900000000, -0.0009695700000000, -0.0001198400000000 ] - [ 0.0001865900000000, -0.0009695700000000, -0.0001198400000000 ] - [ 0.0000000000000000, -0.0006759300000000, -0.0002344600000000 ] - [ -0.0000604400000000, -0.0004926200000000, -0.0000570800000000 ] - [ 0.0000604400000000, -0.0004926200000000, -0.0000570800000000 ] - [ 0.0000000000000000, -0.0006759300000000, 0.0002344600000000 ] - [ -0.0000604400000000, -0.0004926200000000, 0.0000570800000000 ] - [ 0.0000604400000000, -0.0004926200000000, 0.0000570800000000 ] - [ 0.0000000000000000, -0.0022701800000000, 0.0008977900000000 ] - [ -0.0001865900000000, -0.0009695700000000, 0.0001198400000000 ] - [ 0.0001865900000000, -0.0009695700000000, 0.0001198400000000 ] - [ 0.0027355800000000, -0.0017180300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000794000000000, 0.0000000000000000 ] - [ -0.0027355800000000, -0.0017180300000000, 0.0000000000000000 ] - [ 0.0002125900000000, -0.0000748300000000, 0.0006764300000000 ] - [ 0.0000000000000000, 0.0001659900000000, 0.0002063200000000 ] - [ -0.0002125900000000, -0.0000748300000000, 0.0006764300000000 ] - [ 0.0000172100000000, 0.0001586100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002010800000000, 0.0000000000000000 ] - [ -0.0000172100000000, 0.0001586100000000, 0.0000000000000000 ] - [ 0.0002125900000000, -0.0000748300000000, -0.0006764300000000 ] - [ 0.0000000000000000, 0.0001659900000000, -0.0002063200000000 ] - [ -0.0002125900000000, -0.0000748300000000, -0.0006764300000000 ] - [ 0.0000000000000000, -0.0348820800000000, 0.0000000000000000 ] - [ -0.0000900600000000, -0.0014803600000000, 0.0000000000000000 ] - [ 0.0000900600000000, -0.0014803600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014283800000000, -0.0000884900000000 ] - [ -0.0001803400000000, -0.0003909200000000, -0.0001584500000000 ] - [ 0.0001803400000000, -0.0003909200000000, -0.0001584500000000 ] - [ 0.0000000000000000, -0.0002653100000000, 0.0000000000000000 ] - [ -0.0000884800000000, -0.0001765700000000, 0.0000000000000000 ] - [ 0.0000884800000000, -0.0001765700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014283800000000, 0.0000884900000000 ] - [ -0.0001803400000000, -0.0003909200000000, 0.0001584500000000 ] - [ 0.0001803400000000, -0.0003909200000000, 0.0001584500000000 ] - [ 0.0034956300000000, 0.0010207900000000, 0.0034028600000000 ] - [ 0.0000000000000000, -0.0003099400000000, 0.0002774500000000 ] - [ -0.0034956300000000, 0.0010207900000000, 0.0034028600000000 ] - [ 0.0002452500000000, -0.0001950500000000, 0.0001812400000000 ] - [ 0.0000000000000000, -0.0000959100000000, 0.0000682600000000 ] - [ -0.0002452500000000, -0.0001950500000000, 0.0001812400000000 ] - [ 0.0002452500000000, -0.0001950500000000, -0.0001812400000000 ] - [ 0.0000000000000000, -0.0000959100000000, -0.0000682600000000 ] - [ -0.0002452500000000, -0.0001950500000000, -0.0001812400000000 ] - [ 0.0034956300000000, 0.0010207900000000, -0.0034028600000000 ] - [ 0.0000000000000000, -0.0003099400000000, -0.0002774500000000 ] - [ -0.0034956300000000, 0.0010207900000000, -0.0034028600000000 ] - [ 0.0005104900000000, 0.0017665500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005555000000000, 0.0000000000000000 ] - [ -0.0005104900000000, 0.0017665500000000, 0.0000000000000000 ] - [ 0.0002453900000000, 0.0004690700000000, 0.0000952500000000 ] - [ 0.0000000000000000, 0.0002083100000000, 0.0000325600000000 ] - [ -0.0002453900000000, 0.0004690700000000, 0.0000952500000000 ] - [ 0.0001389500000000, 0.0001392300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000769600000000, 0.0000000000000000 ] - [ -0.0001389500000000, 0.0001392300000000, 0.0000000000000000 ] - [ 0.0002453900000000, 0.0004690700000000, -0.0000952500000000 ] - [ 0.0000000000000000, 0.0002083100000000, -0.0000325600000000 ] - [ -0.0002453900000000, 0.0004690700000000, -0.0000952500000000 ] - [ 0.0000000000000000, 0.0024520100000000, -0.0015974000000000 ] - [ -0.0004846100000000, 0.0004597700000000, -0.0004671100000000 ] - [ 0.0004846100000000, 0.0004597700000000, -0.0004671100000000 ] - [ 0.0000000000000000, 0.0002772900000000, -0.0001491700000000 ] - [ -0.0001259700000000, 0.0001795000000000, -0.0001059900000000 ] - [ 0.0001259700000000, 0.0001795000000000, -0.0001059900000000 ] - [ 0.0000000000000000, 0.0002772900000000, 0.0001491700000000 ] - [ -0.0001259700000000, 0.0001795000000000, 0.0001059900000000 ] - [ 0.0001259700000000, 0.0001795000000000, 0.0001059900000000 ] - [ 0.0000000000000000, 0.0024520100000000, 0.0015974000000000 ] - [ -0.0004846100000000, 0.0004597700000000, 0.0004671100000000 ] - [ 0.0004846100000000, 0.0004597700000000, 0.0004671100000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0007399900000000, 0.0000000000000000 ] - [ -0.0001420000000000, -0.0011239600000000, 0.0000000000000000 ] - [ 0.0001420000000000, -0.0011239600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010345100000000, -0.0002005600000000 ] - [ -0.0000620600000000, -0.0009374200000000, -0.0000795500000000 ] - [ 0.0000620600000000, -0.0009374200000000, -0.0000795500000000 ] - [ 0.0000000000000000, -0.0008669500000000, 0.0000000000000000 ] - [ -0.0000087900000000, -0.0008593700000000, 0.0000000000000000 ] - [ 0.0000087900000000, -0.0008593700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010345100000000, 0.0002005600000000 ] - [ -0.0000620600000000, -0.0009374200000000, 0.0000795500000000 ] - [ 0.0000620600000000, -0.0009374200000000, 0.0000795500000000 ] - [ 0.0022229400000000, -0.0004122400000000, 0.0022996500000000 ] - [ 0.0000000000000000, 0.0007782500000000, 0.0001065400000000 ] - [ -0.0022229400000000, -0.0004122400000000, 0.0022996500000000 ] - [ 0.0000123000000000, 0.0008281500000000, 0.0001098300000000 ] - [ 0.0000000000000000, 0.0008183000000000, 0.0000454200000000 ] - [ -0.0000123000000000, 0.0008281500000000, 0.0001098300000000 ] - [ 0.0000123000000000, 0.0008281500000000, -0.0001098300000000 ] - [ 0.0000000000000000, 0.0008183000000000, -0.0000454200000000 ] - [ -0.0000123000000000, 0.0008281500000000, -0.0001098300000000 ] - [ 0.0022229400000000, -0.0004122400000000, -0.0022996500000000 ] - [ 0.0000000000000000, 0.0007782500000000, -0.0001065400000000 ] - [ -0.0022229400000000, -0.0004122400000000, -0.0022996500000000 ] - [ 0.0034331500000000, -0.0014724300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006721600000000, 0.0000000000000000 ] - [ -0.0034331500000000, -0.0014724300000000, 0.0000000000000000 ] - [ 0.0000976100000000, -0.0007625400000000, 0.0002568200000000 ] - [ 0.0000000000000000, -0.0007758500000000, 0.0000662700000000 ] - [ -0.0000976100000000, -0.0007625400000000, 0.0002568200000000 ] - [ 0.0000022500000000, -0.0008135100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008071400000000, 0.0000000000000000 ] - [ -0.0000022500000000, -0.0008135100000000, 0.0000000000000000 ] - [ 0.0000976100000000, -0.0007625400000000, -0.0002568200000000 ] - [ 0.0000000000000000, -0.0007758500000000, -0.0000662700000000 ] - [ -0.0000976100000000, -0.0007625400000000, -0.0002568200000000 ] - [ 0.0000000000000000, 0.0002845200000000, -0.0010718100000000 ] - [ -0.0001377300000000, 0.0008286100000000, -0.0001907600000000 ] - [ 0.0001377300000000, 0.0008286100000000, -0.0001907600000000 ] - [ 0.0000000000000000, 0.0007568300000000, -0.0001795200000000 ] - [ -0.0000162700000000, 0.0008329200000000, -0.0000508800000000 ] - [ 0.0000162700000000, 0.0008329200000000, -0.0000508800000000 ] - [ 0.0000000000000000, 0.0007568300000000, 0.0001795200000000 ] - [ -0.0000162700000000, 0.0008329200000000, 0.0000508800000000 ] - [ 0.0000162700000000, 0.0008329200000000, 0.0000508800000000 ] - [ 0.0000000000000000, 0.0002845200000000, 0.0010718100000000 ] - [ -0.0001377300000000, 0.0008286100000000, 0.0001907600000000 ] - [ 0.0001377300000000, 0.0008286100000000, 0.0001907600000000 ] - [ -0.0006283900000000, -0.0042944500000000, -0.0007169300000000 ] - [ 0.0000000000000000, -0.0007419100000000, -0.0000903300000000 ] - [ 0.0006283900000000, -0.0042944500000000, -0.0007169300000000 ] - [ 0.0000227400000000, -0.0005841100000000, -0.0002381900000000 ] - [ 0.0000000000000000, -0.0004564400000000, -0.0000897400000000 ] - [ -0.0000227400000000, -0.0005841100000000, -0.0002381900000000 ] - [ 0.0000227400000000, -0.0005841100000000, 0.0002381900000000 ] - [ 0.0000000000000000, -0.0004564400000000, 0.0000897400000000 ] - [ -0.0000227400000000, -0.0005841100000000, 0.0002381900000000 ] - [ -0.0006283900000000, -0.0042944500000000, 0.0007169300000000 ] - [ 0.0000000000000000, -0.0007419100000000, 0.0000903300000000 ] - [ 0.0006283900000000, -0.0042944500000000, 0.0007169300000000 ] - [ 0.0000000000000000, -0.0123989900000000, 0.0000000000000000 ] - [ 0.0014286000000000, 0.0003430200000000, 0.0000000000000000 ] - [ -0.0014286000000000, 0.0003430200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003343500000000, 0.0016737700000000 ] - [ 0.0002705200000000, 0.0001012800000000, 0.0003384100000000 ] - [ -0.0002705200000000, 0.0001012800000000, 0.0003384100000000 ] - [ 0.0000000000000000, 0.0001393800000000, 0.0000000000000000 ] - [ 0.0000388700000000, 0.0002018700000000, 0.0000000000000000 ] - [ -0.0000388700000000, 0.0002018700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003343500000000, -0.0016737700000000 ] - [ 0.0002705200000000, 0.0001012800000000, -0.0003384100000000 ] - [ -0.0002705200000000, 0.0001012800000000, -0.0003384100000000 ] - [ 0.0000000000000000, 0.0016922400000000, 0.0008965700000000 ] - [ 0.0001570100000000, 0.0003891500000000, 0.0001172600000000 ] - [ -0.0001570100000000, 0.0003891500000000, 0.0001172600000000 ] - [ 0.0000000000000000, 0.0000952500000000, 0.0002324600000000 ] - [ 0.0000325300000000, -0.0000948800000000, 0.0000558200000000 ] - [ -0.0000325300000000, -0.0000948800000000, 0.0000558200000000 ] - [ 0.0000000000000000, 0.0000952500000000, -0.0002324600000000 ] - [ 0.0000325300000000, -0.0000948800000000, -0.0000558200000000 ] - [ -0.0000325300000000, -0.0000948800000000, -0.0000558200000000 ] - [ 0.0000000000000000, 0.0016922400000000, -0.0008965700000000 ] - [ 0.0001570100000000, 0.0003891500000000, -0.0001172600000000 ] - [ -0.0001570100000000, 0.0003891500000000, -0.0001172600000000 ] - [ -0.0027404100000000, 0.0023149300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004928000000000, 0.0000000000000000 ] - [ 0.0027404100000000, 0.0023149300000000, 0.0000000000000000 ] - [ -0.0001855500000000, 0.0006508600000000, -0.0006790100000000 ] - [ 0.0000000000000000, 0.0004395200000000, -0.0002070600000000 ] - [ 0.0001855500000000, 0.0006508600000000, -0.0006790100000000 ] - [ 0.0000109800000000, 0.0004255300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003756600000000, 0.0000000000000000 ] - [ -0.0000109800000000, 0.0004255300000000, 0.0000000000000000 ] - [ -0.0001855500000000, 0.0006508600000000, 0.0006790100000000 ] - [ 0.0000000000000000, 0.0004395200000000, 0.0002070600000000 ] - [ 0.0001855500000000, 0.0006508600000000, 0.0006790100000000 ] - [ 0.0000000000000000, 0.0336276000000000, 0.0000000000000000 ] - [ -0.0000743300000000, 0.0014081000000000, 0.0000000000000000 ] - [ 0.0000743300000000, 0.0014081000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013359100000000, 0.0000706200000000 ] - [ 0.0000283800000000, 0.0003181400000000, 0.0001552800000000 ] - [ -0.0000283800000000, 0.0003181400000000, 0.0001552800000000 ] - [ 0.0000000000000000, 0.0001741400000000, 0.0000000000000000 ] - [ -0.0000611400000000, 0.0001041500000000, 0.0000000000000000 ] - [ 0.0000611400000000, 0.0001041500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013359100000000, -0.0000706200000000 ] - [ 0.0000283800000000, 0.0003181400000000, -0.0001552800000000 ] - [ -0.0000283800000000, 0.0003181400000000, -0.0001552800000000 ] - [ -0.0033227000000000, -0.0009533400000000, -0.0033792600000000 ] - [ 0.0000000000000000, 0.0003962300000000, -0.0002766300000000 ] - [ 0.0033227000000000, -0.0009533400000000, -0.0033792600000000 ] - [ -0.0000958500000000, 0.0002654000000000, -0.0001814100000000 ] - [ 0.0000000000000000, 0.0001852100000000, -0.0000684400000000 ] - [ 0.0000958500000000, 0.0002654000000000, -0.0001814100000000 ] - [ -0.0000958500000000, 0.0002654000000000, 0.0001814100000000 ] - [ 0.0000000000000000, 0.0001852100000000, 0.0000684400000000 ] - [ 0.0000958500000000, 0.0002654000000000, 0.0001814100000000 ] - [ -0.0033227000000000, -0.0009533400000000, 0.0033792600000000 ] - [ 0.0000000000000000, 0.0003962300000000, 0.0002766300000000 ] - [ 0.0033227000000000, -0.0009533400000000, 0.0033792600000000 ] - [ -0.0003604600000000, -0.0018410400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006461600000000, 0.0000000000000000 ] - [ 0.0003604600000000, -0.0018410400000000, 0.0000000000000000 ] - [ -0.0000945900000000, -0.0005398700000000, -0.0000931200000000 ] - [ 0.0000000000000000, -0.0002966400000000, -0.0000305100000000 ] - [ 0.0000945900000000, -0.0005398700000000, -0.0000931200000000 ] - [ 0.0000108200000000, -0.0002100700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001678700000000, 0.0000000000000000 ] - [ -0.0000108200000000, -0.0002100700000000, 0.0000000000000000 ] - [ -0.0000945900000000, -0.0005398700000000, 0.0000931200000000 ] - [ 0.0000000000000000, -0.0002966400000000, 0.0000305100000000 ] - [ 0.0000945900000000, -0.0005398700000000, 0.0000931200000000 ] - [ 0.0000000000000000, -0.0023779400000000, 0.0016167700000000 ] - [ 0.0003379000000000, -0.0003860500000000, 0.0004716100000000 ] - [ -0.0003379000000000, -0.0003860500000000, 0.0004716100000000 ] - [ 0.0000000000000000, -0.0001866300000000, 0.0001499300000000 ] - [ -0.0000234000000000, -0.0001091400000000, 0.0001059500000000 ] - [ 0.0000234000000000, -0.0001091400000000, 0.0001059500000000 ] - [ 0.0000000000000000, -0.0001866300000000, -0.0001499300000000 ] - [ -0.0000234000000000, -0.0001091400000000, -0.0001059500000000 ] - [ 0.0000234000000000, -0.0001091400000000, -0.0001059500000000 ] - [ 0.0000000000000000, -0.0023779400000000, -0.0016167700000000 ] - [ 0.0003379000000000, -0.0003860500000000, -0.0004716100000000 ] - [ -0.0003379000000000, -0.0003860500000000, -0.0004716100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0008230300000000, 0.0009384300000000 ] - [ 0.0000056700000000, -0.0008352900000000, -0.0000558100000000 ] - [ -0.0000056700000000, -0.0008352900000000, -0.0000558100000000 ] - [ 0.0000000000000000, -0.0008083600000000, -0.0002616100000000 ] - [ 0.0000059700000000, -0.0007971500000000, -0.0000308300000000 ] - [ -0.0000059700000000, -0.0007971500000000, -0.0000308300000000 ] - [ 0.0000000000000000, -0.0008257400000000, 0.0002063400000000 ] - [ 0.0000056800000000, -0.0008282200000000, 0.0001344200000000 ] - [ -0.0000056800000000, -0.0008282200000000, 0.0001344200000000 ] - [ 0.0000000000000000, -0.0008522000000000, -0.0002568100000000 ] - [ 0.0000054600000000, -0.0008640000000000, -0.0000300800000000 ] - [ -0.0000054600000000, -0.0008640000000000, -0.0000300800000000 ] - [ 0.0016815500000000, -0.0001025400000000, 0.0006289600000000 ] - [ 0.0000000000000000, 0.0006560600000000, -0.0001548200000000 ] - [ -0.0016815500000000, -0.0001025400000000, 0.0006289600000000 ] - [ 0.0000211900000000, 0.0007474500000000, 0.0003184900000000 ] - [ 0.0000000000000000, 0.0007843100000000, 0.0001552900000000 ] - [ -0.0000211900000000, 0.0007474500000000, 0.0003184900000000 ] - [ -0.0000320800000000, 0.0009151900000000, 0.0003191400000000 ] - [ 0.0000000000000000, 0.0008733300000000, 0.0001553300000000 ] - [ 0.0000320800000000, 0.0009151900000000, 0.0003191400000000 ] - [ -0.0016718000000000, 0.0017603300000000, 0.0006272600000000 ] - [ 0.0000000000000000, 0.0010036100000000, -0.0001544700000000 ] - [ 0.0016718000000000, 0.0017603300000000, 0.0006272600000000 ] - [ -0.0000125400000000, -0.0008251200000000, -0.0022998800000000 ] - [ 0.0000000000000000, -0.0008240600000000, -0.0004105700000000 ] - [ 0.0000125400000000, -0.0008251200000000, -0.0022998800000000 ] - [ 0.0001310400000000, -0.0010585400000000, 0.0006599400000000 ] - [ 0.0000000000000000, -0.0008065000000000, 0.0001033300000000 ] - [ -0.0001310400000000, -0.0010585400000000, 0.0006599400000000 ] - [ -0.0000055900000000, -0.0008353000000000, 0.0003467100000000 ] - [ 0.0000000000000000, -0.0008256100000000, 0.0002058000000000 ] - [ 0.0000055900000000, -0.0008353000000000, 0.0003467100000000 ] - [ -0.0001394100000000, -0.0006008800000000, 0.0006601600000000 ] - [ 0.0000000000000000, -0.0008587300000000, 0.0001038100000000 ] - [ 0.0001394100000000, -0.0006008800000000, 0.0006601600000000 ] - [ 0.0000000000000000, 0.0009092300000000, -0.0003335800000000 ] - [ 0.0000391200000000, 0.0008485600000000, -0.0001411900000000 ] - [ -0.0000391200000000, 0.0008485600000000, -0.0001411900000000 ] - [ 0.0000000000000000, 0.0009177100000000, 0.0002902000000000 ] - [ 0.0000121600000000, 0.0008526000000000, 0.0001415000000000 ] - [ -0.0000121600000000, 0.0008526000000000, 0.0001415000000000 ] - [ 0.0000000000000000, 0.0007386900000000, 0.0002887000000000 ] - [ -0.0000007800000000, 0.0008129400000000, 0.0001412900000000 ] - [ 0.0000007800000000, 0.0008129400000000, 0.0001412900000000 ] - [ 0.0000000000000000, 0.0007456300000000, -0.0003281900000000 ] - [ -0.0000279200000000, 0.0008097200000000, -0.0001405500000000 ] - [ 0.0000279200000000, 0.0008097200000000, -0.0001405500000000 ] - [ 0.0006041100000000, -0.0006837100000000, 0.0052956800000000 ] - [ 0.0000000000000000, -0.0003130200000000, 0.0005607500000000 ] - [ -0.0006041100000000, -0.0006837100000000, 0.0052956800000000 ] - [ -0.0002108300000000, -0.0002465000000000, -0.0012958600000000 ] - [ 0.0000000000000000, -0.0002719300000000, -0.0005619600000000 ] - [ 0.0002108300000000, -0.0002465000000000, -0.0012958600000000 ] - [ 0.0002357100000000, -0.0003354100000000, -0.0012950500000000 ] - [ 0.0000000000000000, -0.0003144600000000, -0.0005624500000000 ] - [ -0.0002357100000000, -0.0003354100000000, -0.0012950500000000 ] - [ -0.0003592500000000, 0.0000469400000000, 0.0050773200000000 ] - [ 0.0000000000000000, -0.0002748500000000, 0.0005610700000000 ] - [ 0.0003592500000000, 0.0000469400000000, 0.0050773200000000 ] - [ 0.0000000000000000, 0.0002672200000000, 0.0030471800000000 ] - [ -0.0000121000000000, 0.0002971800000000, 0.0009701100000000 ] - [ 0.0000121000000000, 0.0002971800000000, 0.0009701100000000 ] - [ 0.0000000000000000, -0.0012732400000000, -0.0008813700000000 ] - [ -0.0003492100000000, -0.0001515500000000, -0.0001986600000000 ] - [ 0.0003492100000000, -0.0001515500000000, -0.0001986600000000 ] - [ 0.0000000000000000, 0.0002924100000000, -0.0008547300000000 ] - [ -0.0000147800000000, 0.0002910900000000, -0.0005329100000000 ] - [ 0.0000147800000000, 0.0002910900000000, -0.0005329100000000 ] - [ 0.0000000000000000, 0.0018490100000000, -0.0008766600000000 ] - [ 0.0003187400000000, 0.0007356800000000, -0.0001990300000000 ] - [ -0.0003187400000000, 0.0007356800000000, -0.0001990300000000 ] - [ 0.0000000000000000, -0.0002388300000000, 0.0005607100000000 ] - [ -0.0000784000000000, -0.0002698400000000, 0.0003367100000000 ] - [ 0.0000784000000000, -0.0002698400000000, 0.0003367100000000 ] - [ 0.0000000000000000, -0.0003819500000000, -0.0005192800000000 ] - [ -0.0000663800000000, -0.0002790100000000, -0.0003328500000000 ] - [ 0.0000663800000000, -0.0002790100000000, -0.0003328500000000 ] - [ 0.0000000000000000, -0.0002049600000000, -0.0005189200000000 ] - [ 0.0000378800000000, -0.0003064100000000, -0.0003328500000000 ] - [ -0.0000378800000000, -0.0003064100000000, -0.0003328500000000 ] - [ 0.0000000000000000, -0.0003447000000000, 0.0005547500000000 ] - [ 0.0000505900000000, -0.0003117000000000, 0.0003352300000000 ] - [ -0.0000505900000000, -0.0003117000000000, 0.0003352300000000 ] - [ 0.0000171500000000, 0.0002891900000000, 0.0024786700000000 ] - [ 0.0000000000000000, 0.0002885500000000, 0.0007582300000000 ] - [ -0.0000171500000000, 0.0002891900000000, 0.0024786700000000 ] - [ -0.0002617000000000, 0.0011155100000000, -0.0006677500000000 ] - [ 0.0000000000000000, 0.0004790700000000, -0.0001239600000000 ] - [ 0.0002617000000000, 0.0011155100000000, -0.0006677500000000 ] - [ 0.0000138900000000, 0.0002940300000000, -0.0007954200000000 ] - [ 0.0000000000000000, 0.0002889000000000, -0.0005101200000000 ] - [ -0.0000138900000000, 0.0002940300000000, -0.0007954200000000 ] - [ 0.0002872500000000, -0.0005350800000000, -0.0006687200000000 ] - [ 0.0000000000000000, 0.0001144700000000, -0.0001250100000000 ] - [ -0.0002872500000000, -0.0005350800000000, -0.0006687200000000 ] - [ 0.0000000000000000, 0.0000680200000000, -0.0353573900000000 ] - [ -0.0000813500000000, -0.0000376600000000, -0.0021749900000000 ] - [ 0.0000813500000000, -0.0000376600000000, -0.0021749900000000 ] - [ 0.0000000000000000, 0.0000306200000000, 0.0051160400000000 ] - [ 0.0005671100000000, 0.0001177200000000, 0.0006489700000000 ] - [ -0.0005671100000000, 0.0001177200000000, 0.0006489700000000 ] - [ 0.0000000000000000, -0.0000478200000000, 0.0007442300000000 ] - [ -0.0000740900000000, -0.0000384800000000, 0.0005458500000000 ] - [ 0.0000740900000000, -0.0000384800000000, 0.0005458500000000 ] - [ 0.0000000000000000, -0.0001276600000000, 0.0050454900000000 ] - [ -0.0007144800000000, -0.0001956000000000, 0.0006508100000000 ] - [ 0.0007144800000000, -0.0001956000000000, 0.0006508100000000 ] - [ 0.0027874300000000, 0.0034380800000000, 0.0005622600000000 ] - [ 0.0000000000000000, 0.0003236100000000, -0.0003321700000000 ] - [ -0.0027874300000000, 0.0034380800000000, 0.0005622600000000 ] - [ 0.0002430900000000, 0.0002188800000000, 0.0006044400000000 ] - [ 0.0000000000000000, 0.0001143400000000, 0.0003326500000000 ] - [ -0.0002430900000000, 0.0002188800000000, 0.0006044400000000 ] - [ -0.0000917300000000, -0.0001426200000000, 0.0006040100000000 ] - [ 0.0000000000000000, -0.0000196600000000, 0.0003339600000000 ] - [ 0.0000917300000000, -0.0001426200000000, 0.0006040100000000 ] - [ -0.0026180500000000, -0.0033441200000000, 0.0005777100000000 ] - [ 0.0000000000000000, -0.0002292500000000, -0.0003298400000000 ] - [ 0.0026180500000000, -0.0033441200000000, 0.0005777100000000 ] - [ 0.0000738600000000, -0.0000386600000000, -0.0003644100000000 ] - [ 0.0000000000000000, -0.0000482700000000, -0.0002872400000000 ] - [ -0.0000738600000000, -0.0000386600000000, -0.0003644100000000 ] - [ 0.0001643800000000, -0.0001328300000000, 0.0000020800000000 ] - [ 0.0000000000000000, -0.0000794000000000, 0.0000023600000000 ] - [ -0.0001643800000000, -0.0001328300000000, 0.0000020800000000 ] - [ 0.0000752500000000, -0.0000380200000000, 0.0003671200000000 ] - [ 0.0000000000000000, -0.0000485800000000, 0.0002856600000000 ] - [ -0.0000752500000000, -0.0000380200000000, 0.0003671200000000 ] - [ -0.0000138200000000, 0.0000568200000000, 0.0000038200000000 ] - [ 0.0000000000000000, -0.0000154600000000, 0.0000023200000000 ] - [ 0.0000138200000000, 0.0000568200000000, 0.0000038200000000 ] - [ 0.0000000000000000, -0.0015625000000000, -0.0002951600000000 ] - [ 0.0001662800000000, -0.0004308500000000, -0.0003682300000000 ] - [ -0.0001662800000000, -0.0004308500000000, -0.0003682300000000 ] - [ 0.0000000000000000, -0.0001025400000000, 0.0004992900000000 ] - [ 0.0000378400000000, -0.0000684900000000, 0.0003701800000000 ] - [ -0.0000378400000000, -0.0000684900000000, 0.0003701800000000 ] - [ 0.0000000000000000, 0.0001963800000000, 0.0004987600000000 ] - [ -0.0001873300000000, 0.0001431700000000, 0.0003707800000000 ] - [ 0.0001873300000000, 0.0001431700000000, 0.0003707800000000 ] - [ 0.0000000000000000, 0.0016517500000000, -0.0002898800000000 ] - [ -0.0003159700000000, 0.0005077300000000, -0.0003668200000000 ] - [ 0.0003159700000000, 0.0005077300000000, -0.0003668200000000 ]