# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/46ce0776-784b-4ea9-8c4f-95c9bb9294dc/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 K2NaAlAs2 / Ibam (72) / materials id 9069](https://mdr.nims.go.jp/datasets/658d56cc-5841-4a39-80e7-7ecafbe3324a) ## 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: "Ibam" number: 72 Hall_symbol: "-I 2 2c"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ -3.352726770000000, 7.459234530000000, 3.218062635000000 ] # a - [ 3.352726770000000, -7.459234530000000, 3.218062635000000 ] # b - [ 3.352726770000000, 7.459234530000000, -3.218062635000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Al # 3 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 26.981539 - symbol: Al # 4 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 26.981539 - symbol: K # 5 coordinates: [ 0.324666540000000, 0.761430100000000, 0.086096640000000 ] mass: 39.098300 - symbol: K # 6 coordinates: [ 0.175333460000000, 0.261430100000000, 0.436763560000000 ] mass: 39.098300 - symbol: K # 7 coordinates: [ 0.675333460000000, 0.238569900000000, 0.913903360000000 ] mass: 39.098300 - symbol: K # 8 coordinates: [ 0.824666540000000, 0.738569900000000, 0.563236440000000 ] mass: 39.098300 - symbol: As # 9 coordinates: [ 0.904991250000000, 0.201100740000000, 0.106091990000000 ] mass: 74.921600 - symbol: As # 10 coordinates: [ 0.095008750000000, 0.798899260000000, 0.893908010000000 ] mass: 74.921600 - symbol: As # 11 coordinates: [ 0.595008750000000, 0.701100740000000, 0.296109490000000 ] mass: 74.921600 - symbol: As # 12 coordinates: [ 0.404991250000000, 0.298899260000000, 0.703890510000000 ] mass: 74.921600 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.067031006732537, 0.155372985771608 ] # a* - [ 0.149132343402979, 0.000000000000000, 0.155372985771609 ] # b* - [ 0.149132343402979, 0.067031006732537, 0.000000000000000 ] # c*unit_cell: lattice: - [ 6.705453540000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.918469060000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.436125270000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: Al # 5 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 6 - symbol: Al # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 5 - symbol: Al # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 6 - symbol: K # 9 coordinates: [ 0.761430100000000, 0.324666540000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.261430100000000, 0.175333460000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 11 coordinates: [ 0.738569900000000, 0.175333460000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 11 - symbol: K # 12 coordinates: [ 0.238569900000000, 0.324666540000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 12 - symbol: K # 13 coordinates: [ 0.261430100000000, 0.824666540000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 14 coordinates: [ 0.761430100000000, 0.675333460000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 15 coordinates: [ 0.238569900000000, 0.675333460000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 11 - symbol: K # 16 coordinates: [ 0.738569900000000, 0.824666540000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 12 - symbol: As # 17 coordinates: [ 0.701100740000000, 0.404991250000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 18 coordinates: [ 0.798899260000000, 0.095008750000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 18 - symbol: As # 19 coordinates: [ 0.201100740000000, 0.095008750000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 19 - symbol: As # 20 coordinates: [ 0.298899260000000, 0.404991250000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 20 - symbol: As # 21 coordinates: [ 0.201100740000000, 0.904991250000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 22 coordinates: [ 0.298899260000000, 0.595008750000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 18 - symbol: As # 23 coordinates: [ 0.701100740000000, 0.595008750000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 19 - symbol: As # 24 coordinates: [ 0.798899260000000, 0.904991250000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 20supercell: lattice: - [ 13.410907079999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.918469060000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.308375810000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.083333333333333 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.083333333333333 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.416666666666667 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.416666666666667 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.000000000000000, 0.500000000000000, 0.583333333333333 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.583333333333333 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.916666666666667 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.916666666666667 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 13 coordinates: [ 0.250000000000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 14 coordinates: [ 0.750000000000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 15 coordinates: [ 0.250000000000000, 0.000000000000000, 0.583333333333333 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 16 coordinates: [ 0.750000000000000, 0.000000000000000, 0.583333333333333 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 17 coordinates: [ 0.250000000000000, 0.000000000000000, 0.916666666666667 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 18 coordinates: [ 0.750000000000000, 0.000000000000000, 0.916666666666667 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 19 coordinates: [ 0.250000000000000, 0.000000000000000, 0.083333333333333 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 20 coordinates: [ 0.750000000000000, 0.000000000000000, 0.083333333333333 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 21 coordinates: [ 0.250000000000000, 0.000000000000000, 0.416666666666667 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 22 coordinates: [ 0.750000000000000, 0.000000000000000, 0.416666666666667 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 23 coordinates: [ 0.250000000000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 24 coordinates: [ 0.750000000000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Al # 25 coordinates: [ 0.250000000000000, 0.500000000000000, 0.083333333333333 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 26 coordinates: [ 0.750000000000000, 0.500000000000000, 0.083333333333333 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 27 coordinates: [ 0.250000000000000, 0.500000000000000, 0.416666666666667 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 28 coordinates: [ 0.750000000000000, 0.500000000000000, 0.416666666666667 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 29 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 30 coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 31 coordinates: [ 0.250000000000000, 0.500000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 32 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 33 coordinates: [ 0.250000000000000, 0.500000000000000, 0.583333333333333 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 34 coordinates: [ 0.750000000000000, 0.500000000000000, 0.583333333333333 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 35 coordinates: [ 0.250000000000000, 0.500000000000000, 0.916666666666667 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 36 coordinates: [ 0.750000000000000, 0.500000000000000, 0.916666666666667 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 38 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.583333333333333 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 40 coordinates: [ 0.500000000000000, 0.000000000000000, 0.583333333333333 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.916666666666667 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 42 coordinates: [ 0.500000000000000, 0.000000000000000, 0.916666666666667 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 43 coordinates: [ 0.000000000000000, 0.000000000000000, 0.083333333333333 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 44 coordinates: [ 0.500000000000000, 0.000000000000000, 0.083333333333333 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.416666666666667 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 46 coordinates: [ 0.500000000000000, 0.000000000000000, 0.416666666666667 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 47 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 48 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 31 - symbol: K # 49 coordinates: [ 0.380715050000000, 0.324666540000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 49 - symbol: K # 50 coordinates: [ 0.880715050000000, 0.324666540000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 49 - symbol: K # 51 coordinates: [ 0.380715050000000, 0.324666540000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 49 - symbol: K # 52 coordinates: [ 0.880715050000000, 0.324666540000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 49 - symbol: K # 53 coordinates: [ 0.380715050000000, 0.324666540000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 49 - symbol: K # 54 coordinates: [ 0.880715050000000, 0.324666540000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 49 - symbol: K # 55 coordinates: [ 0.130715050000000, 0.175333460000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 55 - symbol: K # 56 coordinates: [ 0.630715050000000, 0.175333460000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 55 - symbol: K # 57 coordinates: [ 0.130715050000000, 0.175333460000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 55 - symbol: K # 58 coordinates: [ 0.630715050000000, 0.175333460000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 55 - symbol: K # 59 coordinates: [ 0.130715050000000, 0.175333460000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 55 - symbol: K # 60 coordinates: [ 0.630715050000000, 0.175333460000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 55 - symbol: K # 61 coordinates: [ 0.369284950000000, 0.175333460000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 61 - symbol: K # 62 coordinates: [ 0.869284950000000, 0.175333460000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 61 - symbol: K # 63 coordinates: [ 0.369284950000000, 0.175333460000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 61 - symbol: K # 64 coordinates: [ 0.869284950000000, 0.175333460000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 61 - symbol: K # 65 coordinates: [ 0.369284950000000, 0.175333460000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 61 - symbol: K # 66 coordinates: [ 0.869284950000000, 0.175333460000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 61 - symbol: K # 67 coordinates: [ 0.119284950000000, 0.324666540000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 67 - symbol: K # 68 coordinates: [ 0.619284950000000, 0.324666540000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 67 - symbol: K # 69 coordinates: [ 0.119284950000000, 0.324666540000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 67 - symbol: K # 70 coordinates: [ 0.619284950000000, 0.324666540000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 67 - symbol: K # 71 coordinates: [ 0.119284950000000, 0.324666540000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 67 - symbol: K # 72 coordinates: [ 0.619284950000000, 0.324666540000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 67 - symbol: K # 73 coordinates: [ 0.130715050000000, 0.824666540000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 49 - symbol: K # 74 coordinates: [ 0.630715050000000, 0.824666540000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 49 - symbol: K # 75 coordinates: [ 0.130715050000000, 0.824666540000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 49 - symbol: K # 76 coordinates: [ 0.630715050000000, 0.824666540000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 49 - symbol: K # 77 coordinates: [ 0.130715050000000, 0.824666540000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 49 - symbol: K # 78 coordinates: [ 0.630715050000000, 0.824666540000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 49 - symbol: K # 79 coordinates: [ 0.380715050000000, 0.675333460000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 55 - symbol: K # 80 coordinates: [ 0.880715050000000, 0.675333460000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 55 - symbol: K # 81 coordinates: [ 0.380715050000000, 0.675333460000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 55 - symbol: K # 82 coordinates: [ 0.880715050000000, 0.675333460000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 55 - symbol: K # 83 coordinates: [ 0.380715050000000, 0.675333460000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 55 - symbol: K # 84 coordinates: [ 0.880715050000000, 0.675333460000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 55 - symbol: K # 85 coordinates: [ 0.119284950000000, 0.675333460000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 61 - symbol: K # 86 coordinates: [ 0.619284950000000, 0.675333460000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 61 - symbol: K # 87 coordinates: [ 0.119284950000000, 0.675333460000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 61 - symbol: K # 88 coordinates: [ 0.619284950000000, 0.675333460000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 61 - symbol: K # 89 coordinates: [ 0.119284950000000, 0.675333460000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 61 - symbol: K # 90 coordinates: [ 0.619284950000000, 0.675333460000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 61 - symbol: K # 91 coordinates: [ 0.369284950000000, 0.824666540000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 67 - symbol: K # 92 coordinates: [ 0.869284950000000, 0.824666540000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 67 - symbol: K # 93 coordinates: [ 0.369284950000000, 0.824666540000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 67 - symbol: K # 94 coordinates: [ 0.869284950000000, 0.824666540000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 67 - symbol: K # 95 coordinates: [ 0.369284950000000, 0.824666540000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 67 - symbol: K # 96 coordinates: [ 0.869284950000000, 0.824666540000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 67 - symbol: As # 97 coordinates: [ 0.350550370000000, 0.404991250000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 97 - symbol: As # 98 coordinates: [ 0.850550370000000, 0.404991250000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 97 - symbol: As # 99 coordinates: [ 0.350550370000000, 0.404991250000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 97 - symbol: As # 100 coordinates: [ 0.850550370000000, 0.404991250000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 97 - symbol: As # 101 coordinates: [ 0.350550370000000, 0.404991250000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 97 - symbol: As # 102 coordinates: [ 0.850550370000000, 0.404991250000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 97 - symbol: As # 103 coordinates: [ 0.399449630000000, 0.095008750000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 103 - symbol: As # 104 coordinates: [ 0.899449630000000, 0.095008750000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 103 - symbol: As # 105 coordinates: [ 0.399449630000000, 0.095008750000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 103 - symbol: As # 106 coordinates: [ 0.899449630000000, 0.095008750000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 103 - symbol: As # 107 coordinates: [ 0.399449630000000, 0.095008750000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 103 - symbol: As # 108 coordinates: [ 0.899449630000000, 0.095008750000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 103 - symbol: As # 109 coordinates: [ 0.100550370000000, 0.095008750000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 109 - symbol: As # 110 coordinates: [ 0.600550370000000, 0.095008750000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 109 - symbol: As # 111 coordinates: [ 0.100550370000000, 0.095008750000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 112 coordinates: [ 0.600550370000000, 0.095008750000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 113 coordinates: [ 0.100550370000000, 0.095008750000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 109 - symbol: As # 114 coordinates: [ 0.600550370000000, 0.095008750000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 109 - symbol: As # 115 coordinates: [ 0.149449630000000, 0.404991250000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 115 - symbol: As # 116 coordinates: [ 0.649449630000000, 0.404991250000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 115 - symbol: As # 117 coordinates: [ 0.149449630000000, 0.404991250000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 115 - symbol: As # 118 coordinates: [ 0.649449630000000, 0.404991250000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 115 - symbol: As # 119 coordinates: [ 0.149449630000000, 0.404991250000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 115 - symbol: As # 120 coordinates: [ 0.649449630000000, 0.404991250000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 115 - symbol: As # 121 coordinates: [ 0.100550370000000, 0.904991250000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 97 - symbol: As # 122 coordinates: [ 0.600550370000000, 0.904991250000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 97 - symbol: As # 123 coordinates: [ 0.100550370000000, 0.904991250000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 97 - symbol: As # 124 coordinates: [ 0.600550370000000, 0.904991250000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 97 - symbol: As # 125 coordinates: [ 0.100550370000000, 0.904991250000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 97 - symbol: As # 126 coordinates: [ 0.600550370000000, 0.904991250000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 97 - symbol: As # 127 coordinates: [ 0.149449630000000, 0.595008750000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 103 - symbol: As # 128 coordinates: [ 0.649449630000000, 0.595008750000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 103 - symbol: As # 129 coordinates: [ 0.149449630000000, 0.595008750000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 103 - symbol: As # 130 coordinates: [ 0.649449630000000, 0.595008750000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 103 - symbol: As # 131 coordinates: [ 0.149449630000000, 0.595008750000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 103 - symbol: As # 132 coordinates: [ 0.649449630000000, 0.595008750000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 103 - symbol: As # 133 coordinates: [ 0.350550370000000, 0.595008750000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 134 coordinates: [ 0.850550370000000, 0.595008750000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 135 coordinates: [ 0.350550370000000, 0.595008750000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 109 - symbol: As # 136 coordinates: [ 0.850550370000000, 0.595008750000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 109 - symbol: As # 137 coordinates: [ 0.350550370000000, 0.595008750000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 109 - symbol: As # 138 coordinates: [ 0.850550370000000, 0.595008750000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 109 - symbol: As # 139 coordinates: [ 0.399449630000000, 0.904991250000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 115 - symbol: As # 140 coordinates: [ 0.899449630000000, 0.904991250000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 115 - symbol: As # 141 coordinates: [ 0.399449630000000, 0.904991250000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 115 - symbol: As # 142 coordinates: [ 0.899449630000000, 0.904991250000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 115 - symbol: As # 143 coordinates: [ 0.399449630000000, 0.904991250000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 115 - symbol: As # 144 coordinates: [ 0.899449630000000, 0.904991250000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 115born_effective_charge:- # 1 (Na) - [ 1.369733140000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 0.245228240000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.851345470000000 ]- # 2 (Na) - [ 1.369733140000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 0.245228240000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.851345470000000 ]- # 3 (Al) - [ 1.213921320000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.809324310000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 3.274711500000000 ]- # 4 (Al) - [ 1.213921320000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.809324310000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 3.274711500000000 ]- # 5 (K) - [ 1.047570910000000, -0.251137540000000, -0.000000000000000 ] - [ -0.122940060000000, 1.368025840000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 1.118522840000000 ]- # 6 (K) - [ 1.047570910000000, 0.251137540000000, 0.000000000000000 ] - [ 0.122940060000000, 1.368025840000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 1.118522840000000 ]- # 7 (K) - [ 1.047570910000000, -0.251137540000000, -0.000000000000000 ] - [ -0.122940060000000, 1.368025840000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 1.118522840000000 ]- # 8 (K) - [ 1.047570910000000, 0.251137540000000, 0.000000000000000 ] - [ 0.122940060000000, 1.368025840000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 1.118522840000000 ]- # 9 (As) - [ -2.339398140000000, 0.755061880000000, -0.000000000000000 ] - [ 0.549958170000000, -1.895302120000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, -3.181551320000000 ]- # 10 (As) - [ -2.339398140000000, 0.755061880000000, -0.000000000000000 ] - [ 0.549958170000000, -1.895302120000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, -3.181551320000000 ]- # 11 (As) - [ -2.339398140000000, -0.755061880000000, -0.000000000000000 ] - [ -0.549958170000000, -1.895302120000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -3.181551320000000 ]- # 12 (As) - [ -2.339398140000000, -0.755061880000000, -0.000000000000000 ] - [ -0.549958170000000, -1.895302120000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -3.181551320000000 ]dielectric_constant: - [ 7.812243980000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 6.350222080000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 9.041825910000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0316352500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002944100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001485600000000, 0.0000375900000000, 0.0000000000000000 ] - [ 0.0001405700000000, -0.0000771400000000, -0.0000000800000000 ] - [ -0.0001485600000000, -0.0000375900000000, 0.0000000000000000 ] - [ 0.0001405700000000, 0.0000771400000000, 0.0000000800000000 ] - [ -0.0012924200000000, -0.0001048800000000, -0.0000104100000000 ] - [ 0.0002572600000000, 0.0000802100000000, 0.0000003500000000 ] - [ -0.0000769500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000739800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0012924200000000, 0.0001048800000000, 0.0000104100000000 ] - [ 0.0002572600000000, -0.0000802100000000, -0.0000003500000000 ] - [ 0.0000132600000000, 0.0000132400000000, 0.0000061500000000 ] - [ 0.0000128600000000, 0.0000132900000000, -0.0000061000000000 ] - [ 0.0000016000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000015300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000132600000000, -0.0000132400000000, -0.0000061500000000 ] - [ 0.0000128600000000, -0.0000132900000000, 0.0000061000000000 ] - [ 0.0000128000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000123100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000083200000000, 0.0000003300000000, 0.0000067700000000 ] - [ 0.0000081100000000, 0.0000002600000000, -0.0000066600000000 ] - [ 0.0000083200000000, -0.0000003300000000, -0.0000067700000000 ] - [ 0.0000081100000000, -0.0000002600000000, 0.0000066600000000 ] - [ 0.0061325500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0059998300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000146700000000, -0.0000045100000000, 0.0001816800000000 ] - [ -0.0000167600000000, -0.0000058700000000, -0.0001817000000000 ] - [ -0.0000146700000000, 0.0000045100000000, -0.0001816800000000 ] - [ -0.0000167600000000, 0.0000058700000000, 0.0001817000000000 ] - [ 0.0007999000000000, -0.0006782700000000, 0.0007596900000000 ] - [ 0.0007952800000000, -0.0006856700000000, -0.0007606200000000 ] - [ 0.0000089300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000085800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007999000000000, 0.0006782700000000, -0.0007596900000000 ] - [ 0.0007952800000000, 0.0006856700000000, 0.0007606200000000 ] - [ -0.0001545100000000, 0.0000007700000000, 0.0000001800000000 ] - [ 0.0000722100000000, 0.0000256400000000, -0.0000002700000000 ] - [ -0.0000550000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000448900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001545100000000, -0.0000007700000000, -0.0000001800000000 ] - [ 0.0000722100000000, -0.0000256400000000, 0.0000002700000000 ] - [ -0.0001329700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001002700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001268100000000, 0.0000454100000000, 0.0000002600000000 ] - [ 0.0000485300000000, -0.0000088100000000, 0.0000001300000000 ] - [ -0.0001268100000000, -0.0000454100000000, -0.0000002600000000 ] - [ 0.0000485300000000, 0.0000088100000000, -0.0000001300000000 ] - [ 0.0013197100000000, 0.0016394400000000, -0.0000447300000000 ] - [ 0.0011926600000000, 0.0037297600000000, 0.0012958900000000 ] - [ 0.0010665000000000, 0.0016857500000000, 0.0000809500000000 ] - [ 0.0008190500000000, 0.0018213100000000, -0.0002867100000000 ] - [ 0.0009912700000000, 0.0017158600000000, -0.0000368600000000 ] - [ 0.0009107000000000, 0.0017534500000000, 0.0000332600000000 ] - [ 0.0008685800000000, -0.0019932500000000, 0.0000206000000000 ] - [ 0.0010184100000000, -0.0016247700000000, 0.0000206600000000 ] - [ 0.0009111300000000, -0.0017865000000000, 0.0000058100000000 ] - [ 0.0010186100000000, -0.0016548000000000, -0.0000316900000000 ] - [ 0.0009410400000000, -0.0017607800000000, -0.0000120000000000 ] - [ 0.0009793200000000, -0.0017153300000000, 0.0000025400000000 ] - [ -0.0008968500000000, -0.0018487600000000, 0.0000206100000000 ] - [ -0.0010475600000000, -0.0014798700000000, 0.0000206400000000 ] - [ -0.0009362400000000, -0.0017581100000000, 0.0000025200000000 ] - [ -0.0009746400000000, -0.0017125900000000, -0.0000119200000000 ] - [ -0.0008969100000000, -0.0018182800000000, -0.0000315600000000 ] - [ -0.0010046800000000, -0.0016870400000000, 0.0000055800000000 ] - [ -0.0007305200000000, -0.0002639100000000, 0.0012996700000000 ] - [ -0.0005970800000000, 0.0018331300000000, -0.0000433500000000 ] - [ -0.0010049600000000, 0.0017200700000000, 0.0000334100000000 ] - [ -0.0009243300000000, 0.0017577300000000, -0.0000370900000000 ] - [ -0.0010955800000000, 0.0016525100000000, -0.0002862700000000 ] - [ -0.0008494500000000, 0.0017877800000000, 0.0000808500000000 ] - [ 0.0008685800000000, 0.0019932500000000, -0.0000206000000000 ] - [ 0.0010184100000000, 0.0016247700000000, -0.0000206600000000 ] - [ 0.0009410400000000, 0.0017607800000000, 0.0000120000000000 ] - [ 0.0009793200000000, 0.0017153300000000, -0.0000025400000000 ] - [ 0.0009111300000000, 0.0017865000000000, -0.0000058100000000 ] - [ 0.0010186100000000, 0.0016548000000000, 0.0000316900000000 ] - [ 0.0013197100000000, -0.0016394400000000, 0.0000447300000000 ] - [ 0.0011926600000000, -0.0037297600000000, -0.0012958900000000 ] - [ 0.0009912700000000, -0.0017158600000000, 0.0000368600000000 ] - [ 0.0009107000000000, -0.0017534500000000, -0.0000332600000000 ] - [ 0.0010665000000000, -0.0016857500000000, -0.0000809500000000 ] - [ 0.0008190500000000, -0.0018213100000000, 0.0002867100000000 ] - [ -0.0007305200000000, 0.0002639100000000, -0.0012996700000000 ] - [ -0.0005970800000000, -0.0018331300000000, 0.0000433500000000 ] - [ -0.0010955800000000, -0.0016525100000000, 0.0002862700000000 ] - [ -0.0008494500000000, -0.0017877800000000, -0.0000808500000000 ] - [ -0.0010049600000000, -0.0017200700000000, -0.0000334100000000 ] - [ -0.0009243300000000, -0.0017577300000000, 0.0000370900000000 ] - [ -0.0008968500000000, 0.0018487600000000, -0.0000206100000000 ] - [ -0.0010475600000000, 0.0014798700000000, -0.0000206400000000 ] - [ -0.0008969100000000, 0.0018182800000000, 0.0000315600000000 ] - [ -0.0010046800000000, 0.0016870400000000, -0.0000055800000000 ] - [ -0.0009362400000000, 0.0017581100000000, -0.0000025200000000 ] - [ -0.0009746400000000, 0.0017125900000000, 0.0000119200000000 ] - [ -0.0086191800000000, -0.0284773300000000, -0.0002685800000000 ] - [ -0.0029456100000000, -0.0255273800000000, -0.0034815800000000 ] - [ -0.0079867200000000, -0.0287539600000000, -0.0000688700000000 ] - [ -0.0078241500000000, -0.0288588200000000, 0.0000799000000000 ] - [ -0.0083184900000000, -0.0288003500000000, 0.0004489500000000 ] - [ -0.0077323900000000, -0.0291434300000000, -0.0004132000000000 ] - [ 0.0077216100000000, 0.0289515700000000, 0.0000056900000000 ] - [ 0.0080871500000000, 0.0287126800000000, -0.0000491800000000 ] - [ 0.0078186800000000, 0.0288647900000000, -0.0000174900000000 ] - [ 0.0080137500000000, 0.0287000900000000, 0.0000797300000000 ] - [ 0.0078469000000000, 0.0288572500000000, 0.0000083100000000 ] - [ 0.0079372500000000, 0.0288074700000000, -0.0000203300000000 ] - [ -0.0076867300000000, 0.0289450200000000, -0.0000494900000000 ] - [ -0.0080526000000000, 0.0287047400000000, 0.0000058600000000 ] - [ -0.0078364100000000, 0.0288508800000000, -0.0000205000000000 ] - [ -0.0079262500000000, 0.0287980700000000, 0.0000078900000000 ] - [ -0.0077624800000000, 0.0289543200000000, 0.0000803900000000 ] - [ -0.0079546300000000, 0.0287941700000000, -0.0000173100000000 ] - [ 0.0129477700000000, -0.0322215700000000, -0.0035986700000000 ] - [ 0.0071591300000000, -0.0291774400000000, -0.0002683000000000 ] - [ 0.0080430200000000, -0.0285104300000000, -0.0004147600000000 ] - [ 0.0074577700000000, -0.0288540400000000, 0.0004529900000000 ] - [ 0.0079488000000000, -0.0287974300000000, 0.0000802700000000 ] - [ 0.0077872900000000, -0.0289057200000000, -0.0000694000000000 ] - [ -0.0076867300000000, -0.0289450200000000, 0.0000494900000000 ] - [ -0.0080526000000000, -0.0287047400000000, -0.0000058600000000 ] - [ -0.0077624800000000, -0.0289543200000000, -0.0000803900000000 ] - [ -0.0079546300000000, -0.0287941700000000, 0.0000173100000000 ] - [ -0.0078364100000000, -0.0288508800000000, 0.0000205000000000 ] - [ -0.0079262500000000, -0.0287980700000000, -0.0000078900000000 ] - [ 0.0129477700000000, 0.0322215700000000, 0.0035986700000000 ] - [ 0.0071591300000000, 0.0291774400000000, 0.0002683000000000 ] - [ 0.0079488000000000, 0.0287974300000000, -0.0000802700000000 ] - [ 0.0077872900000000, 0.0289057200000000, 0.0000694000000000 ] - [ 0.0080430200000000, 0.0285104300000000, 0.0004147600000000 ] - [ 0.0074577700000000, 0.0288540400000000, -0.0004529900000000 ] - [ -0.0086191800000000, 0.0284773300000000, 0.0002685800000000 ] - [ -0.0029456100000000, 0.0255273800000000, 0.0034815800000000 ] - [ -0.0083184900000000, 0.0288003500000000, -0.0004489500000000 ] - [ -0.0077323900000000, 0.0291434300000000, 0.0004132000000000 ] - [ -0.0079867200000000, 0.0287539600000000, 0.0000688700000000 ] - [ -0.0078241500000000, 0.0288588200000000, -0.0000799000000000 ] - [ 0.0077216100000000, -0.0289515700000000, -0.0000056900000000 ] - [ 0.0080871500000000, -0.0287126800000000, 0.0000491800000000 ] - [ 0.0078469000000000, -0.0288572500000000, -0.0000083100000000 ] - [ 0.0079372500000000, -0.0288074700000000, 0.0000203300000000 ] - [ 0.0078186800000000, -0.0288647900000000, 0.0000174900000000 ] - [ 0.0080137500000000, -0.0287000900000000, -0.0000797300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0219452100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001066100000000, 0.0000000000000000 ] - [ -0.0000376700000000, 0.0000232700000000, -0.0000001000000000 ] - [ 0.0000770800000000, -0.0000861900000000, 0.0000000000000000 ] - [ 0.0000376700000000, 0.0000232700000000, 0.0000001000000000 ] - [ -0.0000770800000000, -0.0000861900000000, 0.0000000000000000 ] - [ -0.0001049200000000, -0.0010732800000000, -0.0000104200000000 ] - [ 0.0000801700000000, -0.0000166800000000, 0.0000004400000000 ] - [ 0.0000000000000000, -0.0000077500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000006000000000, 0.0000000000000000 ] - [ 0.0001049200000000, -0.0010732800000000, 0.0000104200000000 ] - [ -0.0000801700000000, -0.0000166800000000, -0.0000004400000000 ] - [ -0.0000131700000000, -0.0000026400000000, -0.0000120500000000 ] - [ -0.0000134900000000, -0.0000024100000000, 0.0000122900000000 ] - [ 0.0000000200000000, -0.0000019000000000, 0.0000035800000000 ] - [ -0.0000000200000000, -0.0000019000000000, -0.0000035800000000 ] - [ 0.0000134900000000, -0.0000024100000000, -0.0000122900000000 ] - [ 0.0000131700000000, -0.0000026400000000, 0.0000120500000000 ] - [ 0.0000003100000000, -0.0000023500000000, 0.0000224500000000 ] - [ -0.0000003100000000, -0.0000023500000000, -0.0000224500000000 ] - [ 0.0000003000000000, -0.0000021000000000, -0.0000010100000000 ] - [ 0.0000002900000000, -0.0000020600000000, 0.0000009800000000 ] - [ -0.0000002900000000, -0.0000020600000000, -0.0000009800000000 ] - [ -0.0000003000000000, -0.0000021000000000, 0.0000010100000000 ] - [ -0.0000127400000000, -0.0015252300000000, -0.0015294700000000 ] - [ 0.0000127400000000, -0.0015252300000000, 0.0015294700000000 ] - [ -0.0001057900000000, -0.0000952100000000, 0.0000958600000000 ] - [ -0.0001080600000000, -0.0000964400000000, -0.0000955600000000 ] - [ 0.0001080600000000, -0.0000964400000000, 0.0000955600000000 ] - [ 0.0001057900000000, -0.0000952100000000, -0.0000958600000000 ] - [ 0.0004239300000000, -0.0009309200000000, 0.0007634500000000 ] - [ 0.0004238300000000, -0.0009393600000000, -0.0007640000000000 ] - [ 0.0000001400000000, -0.0000069800000000, 0.0000183800000000 ] - [ -0.0000001400000000, -0.0000069800000000, -0.0000183800000000 ] - [ -0.0004238300000000, -0.0009393600000000, 0.0007640000000000 ] - [ -0.0004239300000000, -0.0009309200000000, -0.0007634500000000 ] - [ 0.0001273900000000, 0.0000382100000000, 0.0000012400000000 ] - [ -0.0000158900000000, -0.0000165000000000, -0.0000003700000000 ] - [ 0.0000000000000000, -0.0000174600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000099100000000, 0.0000000000000000 ] - [ -0.0001273900000000, 0.0000382100000000, -0.0000012400000000 ] - [ 0.0000158900000000, -0.0000165000000000, 0.0000003700000000 ] - [ 0.0000000000000000, 0.0000932600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000199200000000, 0.0000000000000000 ] - [ -0.0000186800000000, -0.0000146200000000, -0.0000002100000000 ] - [ 0.0000134200000000, -0.0000010100000000, 0.0000002600000000 ] - [ 0.0000186800000000, -0.0000146200000000, 0.0000002100000000 ] - [ -0.0000134200000000, -0.0000010100000000, -0.0000002600000000 ] - [ 0.0008215900000000, 0.0018446000000000, -0.0000732300000000 ] - [ 0.0031143600000000, 0.0040444700000000, 0.0020570500000000 ] - [ 0.0010166700000000, 0.0017166100000000, 0.0000395100000000 ] - [ 0.0009081900000000, 0.0018233100000000, -0.0001550200000000 ] - [ 0.0009591600000000, 0.0017511100000000, 0.0000388500000000 ] - [ 0.0009684000000000, 0.0017417000000000, -0.0000202300000000 ] - [ 0.0008646900000000, -0.0015285200000000, 0.0000634400000000 ] - [ 0.0009937300000000, -0.0017441700000000, -0.0000008700000000 ] - [ 0.0009425900000000, -0.0017349700000000, -0.0000466000000000 ] - [ 0.0009657100000000, -0.0016962200000000, 0.0000032800000000 ] - [ 0.0009638600000000, -0.0017346000000000, 0.0000057600000000 ] - [ 0.0009484900000000, -0.0017400300000000, -0.0000021300000000 ] - [ -0.0009937300000000, -0.0017441700000000, 0.0000008700000000 ] - [ -0.0008646900000000, -0.0015285200000000, -0.0000634400000000 ] - [ -0.0009484900000000, -0.0017400300000000, 0.0000021300000000 ] - [ -0.0009638600000000, -0.0017346000000000, -0.0000057600000000 ] - [ -0.0009657100000000, -0.0016962200000000, -0.0000032800000000 ] - [ -0.0009425900000000, -0.0017349700000000, 0.0000466000000000 ] - [ -0.0031143600000000, 0.0040444700000000, -0.0020570500000000 ] - [ -0.0008215900000000, 0.0018446000000000, 0.0000732300000000 ] - [ -0.0009684000000000, 0.0017417000000000, 0.0000202300000000 ] - [ -0.0009591600000000, 0.0017511100000000, -0.0000388500000000 ] - [ -0.0009081900000000, 0.0018233100000000, 0.0001550200000000 ] - [ -0.0010166700000000, 0.0017166100000000, -0.0000395100000000 ] - [ 0.0010526300000000, 0.0019458100000000, 0.0000648600000000 ] - [ 0.0009212500000000, 0.0017300600000000, -0.0000009900000000 ] - [ 0.0009515800000000, 0.0017390800000000, 0.0000057900000000 ] - [ 0.0009669300000000, 0.0017337700000000, -0.0000022100000000 ] - [ 0.0009728400000000, 0.0017391100000000, -0.0000471600000000 ] - [ 0.0009498400000000, 0.0017771700000000, 0.0000035500000000 ] - [ 0.0010934400000000, -0.0016290000000000, -0.0000722100000000 ] - [ -0.0012252600000000, 0.0005870700000000, 0.0020825700000000 ] - [ 0.0009562500000000, -0.0017231000000000, 0.0000386200000000 ] - [ 0.0009470100000000, -0.0017323000000000, -0.0000200500000000 ] - [ 0.0008992000000000, -0.0017574400000000, 0.0000390700000000 ] - [ 0.0010065000000000, -0.0016508500000000, -0.0001541000000000 ] - [ 0.0012252600000000, 0.0005870700000000, -0.0020825700000000 ] - [ -0.0010934400000000, -0.0016290000000000, 0.0000722100000000 ] - [ -0.0010065000000000, -0.0016508500000000, 0.0001541000000000 ] - [ -0.0008992000000000, -0.0017574400000000, -0.0000390700000000 ] - [ -0.0009470100000000, -0.0017323000000000, 0.0000200500000000 ] - [ -0.0009562500000000, -0.0017231000000000, -0.0000386200000000 ] - [ -0.0009212500000000, 0.0017300600000000, 0.0000009900000000 ] - [ -0.0010526300000000, 0.0019458100000000, -0.0000648600000000 ] - [ -0.0009498400000000, 0.0017771700000000, -0.0000035500000000 ] - [ -0.0009728400000000, 0.0017391100000000, 0.0000471600000000 ] - [ -0.0009669300000000, 0.0017337700000000, 0.0000022100000000 ] - [ -0.0009515800000000, 0.0017390800000000, -0.0000057900000000 ] - [ -0.0080749300000000, -0.0282110400000000, 0.0003086500000000 ] - [ -0.0048644300000000, -0.0245337000000000, -0.0026199600000000 ] - [ -0.0079154900000000, -0.0287711100000000, -0.0000380200000000 ] - [ -0.0078586500000000, -0.0288261400000000, 0.0000410700000000 ] - [ -0.0075893400000000, -0.0288022600000000, -0.0004161400000000 ] - [ -0.0080569700000000, -0.0284804800000000, 0.0001035500000000 ] - [ 0.0079004700000000, 0.0288317900000000, 0.0000174700000000 ] - [ 0.0079448600000000, 0.0285729400000000, -0.0000203600000000 ] - [ 0.0078713400000000, 0.0288367600000000, -0.0000059600000000 ] - [ 0.0078990600000000, 0.0287859400000000, -0.0000060300000000 ] - [ 0.0078933100000000, 0.0288183400000000, -0.0000106000000000 ] - [ 0.0078772500000000, 0.0288465600000000, 0.0000152300000000 ] - [ -0.0079448600000000, 0.0285729400000000, 0.0000203600000000 ] - [ -0.0079004700000000, 0.0288317900000000, -0.0000174700000000 ] - [ -0.0078772500000000, 0.0288465600000000, -0.0000152300000000 ] - [ -0.0078933100000000, 0.0288183400000000, 0.0000106000000000 ] - [ -0.0078990600000000, 0.0287859400000000, 0.0000060300000000 ] - [ -0.0078713400000000, 0.0288367600000000, 0.0000059600000000 ] - [ 0.0048644300000000, -0.0245337000000000, 0.0026199600000000 ] - [ 0.0080749300000000, -0.0282110400000000, -0.0003086500000000 ] - [ 0.0080569700000000, -0.0284804800000000, -0.0001035500000000 ] - [ 0.0075893400000000, -0.0288022600000000, 0.0004161400000000 ] - [ 0.0078586500000000, -0.0288261400000000, -0.0000410700000000 ] - [ 0.0079154900000000, -0.0287711100000000, 0.0000380200000000 ] - [ -0.0078295500000000, -0.0290856900000000, 0.0000210100000000 ] - [ -0.0078709100000000, -0.0288276800000000, -0.0000177200000000 ] - [ -0.0078767700000000, -0.0288690200000000, 0.0000054800000000 ] - [ -0.0079037300000000, -0.0288185600000000, 0.0000057400000000 ] - [ -0.0078954200000000, -0.0288135200000000, -0.0000151900000000 ] - [ -0.0078814600000000, -0.0288380400000000, 0.0000111100000000 ] - [ 0.0109840100000000, 0.0331335000000000, 0.0026770100000000 ] - [ 0.0077016500000000, 0.0294474800000000, -0.0003083700000000 ] - [ 0.0079157900000000, 0.0288293900000000, -0.0000412200000000 ] - [ 0.0078569300000000, 0.0288900900000000, 0.0000383400000000 ] - [ 0.0077164000000000, 0.0291768500000000, -0.0001012900000000 ] - [ 0.0081857600000000, 0.0288499400000000, 0.0004125700000000 ] - [ -0.0077016500000000, 0.0294474800000000, 0.0003083700000000 ] - [ -0.0109840100000000, 0.0331335000000000, -0.0026770100000000 ] - [ -0.0081857600000000, 0.0288499400000000, -0.0004125700000000 ] - [ -0.0077164000000000, 0.0291768500000000, 0.0001012900000000 ] - [ -0.0078569300000000, 0.0288900900000000, -0.0000383400000000 ] - [ -0.0079157900000000, 0.0288293900000000, 0.0000412200000000 ] - [ 0.0078709100000000, -0.0288276800000000, 0.0000177200000000 ] - [ 0.0078295500000000, -0.0290856900000000, -0.0000210100000000 ] - [ 0.0078814600000000, -0.0288380400000000, -0.0000111100000000 ] - [ 0.0078954200000000, -0.0288135200000000, 0.0000151900000000 ] - [ 0.0079037300000000, -0.0288185600000000, -0.0000057400000000 ] - [ 0.0078767700000000, -0.0288690200000000, -0.0000054800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0286473600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001510500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001075000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000201400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001080700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000202800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0060468800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000387800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000558400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000589700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0059437600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000383100000000 ] - [ 0.0000062100000000, 0.0000121500000000, 0.0000094600000000 ] - [ -0.0000062100000000, -0.0000121500000000, 0.0000094600000000 ] - [ -0.0000000300000000, -0.0000034800000000, 0.0000263900000000 ] - [ 0.0000000300000000, 0.0000034800000000, 0.0000263900000000 ] - [ -0.0000061100000000, 0.0000123000000000, 0.0000095200000000 ] - [ 0.0000061100000000, -0.0000123000000000, 0.0000095200000000 ] - [ 0.0000000300000000, 0.0000225300000000, -0.0000845500000000 ] - [ -0.0000000300000000, -0.0000225300000000, -0.0000845500000000 ] - [ 0.0000065700000000, -0.0000009200000000, 0.0000206400000000 ] - [ -0.0000065700000000, 0.0000009200000000, 0.0000206400000000 ] - [ -0.0000066200000000, -0.0000012500000000, 0.0000206800000000 ] - [ 0.0000066200000000, 0.0000012500000000, 0.0000206800000000 ] - [ -0.0000112700000000, -0.0014399500000000, -0.0024707000000000 ] - [ 0.0000112700000000, 0.0014399500000000, -0.0024707000000000 ] - [ 0.0000629400000000, 0.0001621200000000, 0.0002542900000000 ] - [ -0.0000629400000000, -0.0001621200000000, 0.0002542900000000 ] - [ -0.0000603300000000, 0.0001594800000000, 0.0002529900000000 ] - [ 0.0000603300000000, -0.0001594800000000, 0.0002529900000000 ] - [ 0.0006413900000000, -0.0004375700000000, 0.0007059200000000 ] - [ -0.0006413900000000, 0.0004375700000000, 0.0007059200000000 ] - [ -0.0000000800000000, 0.0000135100000000, 0.0002249200000000 ] - [ 0.0000000800000000, -0.0000135100000000, 0.0002249200000000 ] - [ -0.0006397900000000, -0.0004462200000000, 0.0007086000000000 ] - [ 0.0006397900000000, 0.0004462200000000, 0.0007086000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000079900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000560500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001287500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000912500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000117500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000548600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003076100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003525700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000995900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000756500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001018500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000750200000000 ] - [ 0.0009154200000000, 0.0017223900000000, -0.0000599100000000 ] - [ 0.0023049400000000, 0.0037593200000000, 0.0002180400000000 ] - [ 0.0009889100000000, 0.0017115900000000, 0.0000190800000000 ] - [ 0.0009321500000000, 0.0016449800000000, 0.0002254000000000 ] - [ 0.0009632200000000, 0.0017499500000000, 0.0000587200000000 ] - [ 0.0009495500000000, 0.0017492200000000, 0.0000833200000000 ] - [ 0.0010037900000000, -0.0015475500000000, -0.0000590500000000 ] - [ 0.0009430500000000, -0.0017280900000000, -0.0000770600000000 ] - [ 0.0009626700000000, -0.0017991900000000, 0.0000250200000000 ] - [ 0.0009358400000000, -0.0017841800000000, 0.0000438000000000 ] - [ 0.0009553000000000, -0.0017263700000000, 0.0000406200000000 ] - [ 0.0009662800000000, -0.0017188400000000, 0.0000331600000000 ] - [ -0.0009754600000000, -0.0017440900000000, -0.0000772200000000 ] - [ -0.0009156000000000, -0.0019237200000000, -0.0000583900000000 ] - [ -0.0009520100000000, -0.0017537700000000, 0.0000331200000000 ] - [ -0.0009635500000000, -0.0017460000000000, 0.0000402200000000 ] - [ -0.0009834100000000, -0.0016878600000000, 0.0000437900000000 ] - [ -0.0009556800000000, -0.0016735400000000, 0.0000248600000000 ] - [ 0.0003914100000000, -0.0002976900000000, 0.0002091300000000 ] - [ -0.0010026400000000, 0.0017492700000000, -0.0000588400000000 ] - [ -0.0009692400000000, 0.0017229900000000, 0.0000836300000000 ] - [ -0.0009556700000000, 0.0017220800000000, 0.0000582400000000 ] - [ -0.0009853900000000, 0.0018264700000000, 0.0002262900000000 ] - [ -0.0009301600000000, 0.0017606900000000, 0.0000191300000000 ] - [ 0.0009156000000000, 0.0019237200000000, -0.0000583900000000 ] - [ 0.0009754600000000, 0.0017440900000000, -0.0000772200000000 ] - [ 0.0009635500000000, 0.0017460000000000, 0.0000402200000000 ] - [ 0.0009520100000000, 0.0017537700000000, 0.0000331200000000 ] - [ 0.0009556800000000, 0.0016735400000000, 0.0000248600000000 ] - [ 0.0009834100000000, 0.0016878600000000, 0.0000437900000000 ] - [ 0.0010026400000000, -0.0017492700000000, -0.0000588400000000 ] - [ -0.0003914100000000, 0.0002976900000000, 0.0002091300000000 ] - [ 0.0009556700000000, -0.0017220800000000, 0.0000582400000000 ] - [ 0.0009692400000000, -0.0017229900000000, 0.0000836300000000 ] - [ 0.0009301600000000, -0.0017606900000000, 0.0000191300000000 ] - [ 0.0009853900000000, -0.0018264700000000, 0.0002262900000000 ] - [ -0.0023049400000000, -0.0037593200000000, 0.0002180400000000 ] - [ -0.0009154200000000, -0.0017223900000000, -0.0000599100000000 ] - [ -0.0009321500000000, -0.0016449800000000, 0.0002254000000000 ] - [ -0.0009889100000000, -0.0017115900000000, 0.0000190800000000 ] - [ -0.0009495500000000, -0.0017492200000000, 0.0000833200000000 ] - [ -0.0009632200000000, -0.0017499500000000, 0.0000587200000000 ] - [ -0.0009430500000000, 0.0017280900000000, -0.0000770600000000 ] - [ -0.0010037900000000, 0.0015475500000000, -0.0000590500000000 ] - [ -0.0009358400000000, 0.0017841800000000, 0.0000438000000000 ] - [ -0.0009626700000000, 0.0017991900000000, 0.0000250200000000 ] - [ -0.0009662800000000, 0.0017188400000000, 0.0000331600000000 ] - [ -0.0009553000000000, 0.0017263700000000, 0.0000406200000000 ] - [ -0.0081111500000000, -0.0283614100000000, 0.0005417200000000 ] - [ -0.0110424100000000, -0.0316324200000000, 0.0042579900000000 ] - [ -0.0079301100000000, -0.0288148300000000, -0.0002557600000000 ] - [ -0.0078706800000000, -0.0287979600000000, -0.0002073500000000 ] - [ -0.0077963700000000, -0.0288183100000000, -0.0001619400000000 ] - [ -0.0081006800000000, -0.0288953700000000, -0.0004529300000000 ] - [ 0.0079184200000000, 0.0287235700000000, 0.0001163600000000 ] - [ 0.0078602600000000, 0.0287199700000000, 0.0001655100000000 ] - [ 0.0078692200000000, 0.0288611800000000, -0.0000362100000000 ] - [ 0.0078603500000000, 0.0289006600000000, -0.0000546900000000 ] - [ 0.0078848000000000, 0.0288240600000000, -0.0000787700000000 ] - [ 0.0078877400000000, 0.0288126500000000, -0.0001077900000000 ] - [ -0.0079088200000000, 0.0289389200000000, 0.0001644800000000 ] - [ -0.0078499800000000, 0.0289367700000000, 0.0001154300000000 ] - [ -0.0078839500000000, 0.0288433100000000, -0.0001066700000000 ] - [ -0.0078825300000000, 0.0288364700000000, -0.0000790100000000 ] - [ -0.0079079600000000, 0.0287562800000000, -0.0000548300000000 ] - [ -0.0079003100000000, 0.0287947400000000, -0.0000356600000000 ] - [ 0.0048261200000000, -0.0260924600000000, 0.0042070300000000 ] - [ 0.0076545600000000, -0.0293049700000000, 0.0005435900000000 ] - [ 0.0076540600000000, -0.0287809900000000, -0.0004561500000000 ] - [ 0.0079609300000000, -0.0288523400000000, -0.0001579400000000 ] - [ 0.0078963200000000, -0.0288634000000000, -0.0002061100000000 ] - [ 0.0078391300000000, -0.0288440500000000, -0.0002551500000000 ] - [ -0.0078602600000000, -0.0287199700000000, 0.0001655100000000 ] - [ -0.0079184200000000, -0.0287235700000000, 0.0001163600000000 ] - [ -0.0078603500000000, -0.0289006600000000, -0.0000546900000000 ] - [ -0.0078692200000000, -0.0288611800000000, -0.0000362100000000 ] - [ -0.0078877400000000, -0.0288126500000000, -0.0001077900000000 ] - [ -0.0078848000000000, -0.0288240600000000, -0.0000787700000000 ] - [ 0.0110424100000000, 0.0316324200000000, 0.0042579900000000 ] - [ 0.0081111500000000, 0.0283614100000000, 0.0005417200000000 ] - [ 0.0078706800000000, 0.0287979600000000, -0.0002073500000000 ] - [ 0.0079301100000000, 0.0288148300000000, -0.0002557600000000 ] - [ 0.0081006800000000, 0.0288953700000000, -0.0004529300000000 ] - [ 0.0077963700000000, 0.0288183100000000, -0.0001619400000000 ] - [ -0.0076545600000000, 0.0293049700000000, 0.0005435900000000 ] - [ -0.0048261200000000, 0.0260924600000000, 0.0042070300000000 ] - [ -0.0079609300000000, 0.0288523400000000, -0.0001579400000000 ] - [ -0.0076540600000000, 0.0287809900000000, -0.0004561500000000 ] - [ -0.0078391300000000, 0.0288440500000000, -0.0002551500000000 ] - [ -0.0078963200000000, 0.0288634000000000, -0.0002061100000000 ] - [ 0.0078499800000000, -0.0289367700000000, 0.0001154300000000 ] - [ 0.0079088200000000, -0.0289389200000000, 0.0001644800000000 ] - [ 0.0078825300000000, -0.0288364700000000, -0.0000790100000000 ] - [ 0.0078839500000000, -0.0288433100000000, -0.0001066700000000 ] - [ 0.0079003100000000, -0.0287947400000000, -0.0000356600000000 ] - [ 0.0079079600000000, -0.0287562800000000, -0.0000548300000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0059964100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0061365200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000161600000000, 0.0001080100000000, -0.0000610900000000 ] - [ -0.0000138800000000, 0.0001060800000000, 0.0000608300000000 ] - [ -0.0000161600000000, -0.0001080100000000, 0.0000610900000000 ] - [ -0.0000138800000000, -0.0001060800000000, -0.0000608300000000 ] - [ 0.0007967800000000, 0.0004271700000000, -0.0006403000000000 ] - [ 0.0007992500000000, 0.0004207200000000, 0.0006419700000000 ] - [ 0.0000082300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000090400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007967800000000, -0.0004271700000000, 0.0006403000000000 ] - [ 0.0007992500000000, -0.0004207200000000, -0.0006419700000000 ] - [ -0.0001541800000000, -0.0001274000000000, 0.0000000000000000 ] - [ 0.0000712300000000, 0.0000159800000000, -0.0000001900000000 ] - [ -0.0000562100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000453700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001541800000000, 0.0001274000000000, 0.0000000000000000 ] - [ 0.0000712300000000, -0.0000159800000000, 0.0000001900000000 ] - [ -0.0001319800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001003600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001273500000000, -0.0000187500000000, -0.0000001500000000 ] - [ 0.0000489700000000, 0.0000133800000000, -0.0000000100000000 ] - [ -0.0001273500000000, 0.0000187500000000, 0.0000001500000000 ] - [ 0.0000489700000000, -0.0000133800000000, 0.0000000100000000 ] - [ -0.0714809600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004911700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004545400000000, 0.0000329800000000, 0.0000030100000000 ] - [ -0.0000440100000000, 0.0002006200000000, -0.0000026500000000 ] - [ 0.0004545400000000, -0.0000329800000000, -0.0000030100000000 ] - [ -0.0000440100000000, -0.0002006200000000, 0.0000026500000000 ] - [ -0.0066962000000000, 0.0067769100000000, -0.0000169000000000 ] - [ 0.0002685800000000, -0.0004110200000000, 0.0000018200000000 ] - [ -0.0000620900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000795900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0066962000000000, -0.0067769100000000, 0.0000169000000000 ] - [ 0.0002685800000000, 0.0004110200000000, -0.0000018200000000 ] - [ 0.0001252200000000, -0.0000931100000000, 0.0001482500000000 ] - [ 0.0001253800000000, -0.0000921900000000, -0.0001473700000000 ] - [ 0.0000167800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000178600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001252200000000, 0.0000931100000000, -0.0001482500000000 ] - [ 0.0001253800000000, 0.0000921900000000, 0.0001473700000000 ] - [ -0.0000987500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000963200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001861300000000, -0.0000817500000000, -0.0002010700000000 ] - [ 0.0001855200000000, -0.0000811000000000, 0.0001999600000000 ] - [ 0.0001861300000000, 0.0000817500000000, 0.0002010700000000 ] - [ 0.0001855200000000, 0.0000811000000000, -0.0001999600000000 ] - [ 0.0012488700000000, -0.0013218000000000, -0.0023776800000000 ] - [ 0.0015811200000000, 0.0018497000000000, 0.0000228900000000 ] - [ 0.0011950400000000, 0.0017940100000000, 0.0007411600000000 ] - [ 0.0009306400000000, 0.0017036300000000, -0.0000819400000000 ] - [ 0.0010077700000000, 0.0017932800000000, 0.0000208700000000 ] - [ 0.0009570300000000, 0.0017142900000000, 0.0000218500000000 ] - [ 0.0010985700000000, -0.0011389800000000, -0.0002799400000000 ] - [ 0.0009982000000000, -0.0017654900000000, -0.0000113700000000 ] - [ 0.0007714800000000, -0.0019154200000000, 0.0001325700000000 ] - [ 0.0010915700000000, -0.0017644700000000, 0.0000413000000000 ] - [ 0.0009161800000000, -0.0017418200000000, 0.0000623400000000 ] - [ 0.0009831200000000, -0.0017101000000000, -0.0000048800000000 ] - [ -0.0008155900000000, -0.0023323500000000, -0.0002781900000000 ] - [ -0.0009198300000000, -0.0017066400000000, -0.0000116400000000 ] - [ -0.0010014500000000, -0.0017303700000000, 0.0000617700000000 ] - [ -0.0009347600000000, -0.0017622400000000, -0.0000048500000000 ] - [ -0.0011465600000000, -0.0015584200000000, 0.0001325700000000 ] - [ -0.0008253200000000, -0.0017066000000000, 0.0000422300000000 ] - [ -0.0006691700000000, 0.0047695000000000, -0.0023654900000000 ] - [ -0.0003394800000000, 0.0016206000000000, 0.0000255400000000 ] - [ -0.0009107900000000, 0.0016775700000000, 0.0000221800000000 ] - [ -0.0009601900000000, 0.0017578100000000, 0.0000211800000000 ] - [ -0.0007294900000000, 0.0016738200000000, 0.0007381500000000 ] - [ -0.0009854800000000, 0.0017685800000000, -0.0000817200000000 ] - [ 0.0010985700000000, 0.0011389800000000, 0.0002799400000000 ] - [ 0.0009982000000000, 0.0017654900000000, 0.0000113700000000 ] - [ 0.0009161800000000, 0.0017418200000000, -0.0000623400000000 ] - [ 0.0009831200000000, 0.0017101000000000, 0.0000048800000000 ] - [ 0.0007714800000000, 0.0019154200000000, -0.0001325700000000 ] - [ 0.0010915700000000, 0.0017644700000000, -0.0000413000000000 ] - [ 0.0012488700000000, 0.0013218000000000, 0.0023776800000000 ] - [ 0.0015811200000000, -0.0018497000000000, -0.0000228900000000 ] - [ 0.0010077700000000, -0.0017932800000000, -0.0000208700000000 ] - [ 0.0009570300000000, -0.0017142900000000, -0.0000218500000000 ] - [ 0.0011950400000000, -0.0017940100000000, -0.0007411600000000 ] - [ 0.0009306400000000, -0.0017036300000000, 0.0000819400000000 ] - [ -0.0006691700000000, -0.0047695000000000, 0.0023654900000000 ] - [ -0.0003394800000000, -0.0016206000000000, -0.0000255400000000 ] - [ -0.0007294900000000, -0.0016738200000000, -0.0007381500000000 ] - [ -0.0009854800000000, -0.0017685800000000, 0.0000817200000000 ] - [ -0.0009107900000000, -0.0016775700000000, -0.0000221800000000 ] - [ -0.0009601900000000, -0.0017578100000000, -0.0000211800000000 ] - [ -0.0008155900000000, 0.0023323500000000, 0.0002781900000000 ] - [ -0.0009198300000000, 0.0017066400000000, 0.0000116400000000 ] - [ -0.0011465600000000, 0.0015584200000000, -0.0001325700000000 ] - [ -0.0008253200000000, 0.0017066000000000, -0.0000422300000000 ] - [ -0.0010014500000000, 0.0017303700000000, -0.0000617700000000 ] - [ -0.0009347600000000, 0.0017622400000000, 0.0000048500000000 ] - [ 0.0077929300000000, -0.0387140200000000, 0.0085237800000000 ] - [ -0.0086858700000000, -0.0288078900000000, 0.0002200800000000 ] - [ -0.0078223400000000, -0.0290554200000000, 0.0000476400000000 ] - [ -0.0078124500000000, -0.0288647300000000, -0.0000893500000000 ] - [ -0.0066814700000000, -0.0276055000000000, -0.0002433900000000 ] - [ -0.0081599800000000, -0.0285953000000000, -0.0000643600000000 ] - [ 0.0080256100000000, 0.0287027000000000, 0.0001747600000000 ] - [ 0.0077196000000000, 0.0286097200000000, 0.0000433600000000 ] - [ 0.0077494700000000, 0.0292161000000000, -0.0003092500000000 ] - [ 0.0077544100000000, 0.0289311900000000, 0.0000164600000000 ] - [ 0.0079189000000000, 0.0287576000000000, 0.0000931300000000 ] - [ 0.0078087200000000, 0.0288480200000000, -0.0000414800000000 ] - [ -0.0077419400000000, 0.0289607800000000, 0.0001747000000000 ] - [ -0.0080537400000000, 0.0290434500000000, 0.0000430900000000 ] - [ -0.0078516100000000, 0.0289014700000000, 0.0000937900000000 ] - [ -0.0079597000000000, 0.0288126700000000, -0.0000415400000000 ] - [ -0.0080233500000000, 0.0284384800000000, -0.0003102900000000 ] - [ -0.0080164500000000, 0.0287272800000000, 0.0000162700000000 ] - [ 0.0233850800000000, -0.0192093400000000, 0.0082298500000000 ] - [ 0.0070820000000000, -0.0288511600000000, 0.0002206000000000 ] - [ 0.0090943500000000, -0.0300520400000000, -0.0002569900000000 ] - [ 0.0076125700000000, -0.0290596600000000, -0.0000608000000000 ] - [ 0.0079488100000000, -0.0286015000000000, 0.0000494200000000 ] - [ 0.0079572000000000, -0.0287929100000000, -0.0000905000000000 ] - [ -0.0077419400000000, -0.0289607800000000, -0.0001747000000000 ] - [ -0.0080537400000000, -0.0290434500000000, -0.0000430900000000 ] - [ -0.0080233500000000, -0.0284384800000000, 0.0003102900000000 ] - [ -0.0080164500000000, -0.0287272800000000, -0.0000162700000000 ] - [ -0.0078516100000000, -0.0289014700000000, -0.0000937900000000 ] - [ -0.0079597000000000, -0.0288126700000000, 0.0000415400000000 ] - [ 0.0233850800000000, 0.0192093400000000, -0.0082298500000000 ] - [ 0.0070820000000000, 0.0288511600000000, -0.0002206000000000 ] - [ 0.0079488100000000, 0.0286015000000000, -0.0000494200000000 ] - [ 0.0079572000000000, 0.0287929100000000, 0.0000905000000000 ] - [ 0.0090943500000000, 0.0300520400000000, 0.0002569900000000 ] - [ 0.0076125700000000, 0.0290596600000000, 0.0000608000000000 ] - [ 0.0077929300000000, 0.0387140200000000, -0.0085237800000000 ] - [ -0.0086858700000000, 0.0288078900000000, -0.0002200800000000 ] - [ -0.0066814700000000, 0.0276055000000000, 0.0002433900000000 ] - [ -0.0081599800000000, 0.0285953000000000, 0.0000643600000000 ] - [ -0.0078223400000000, 0.0290554200000000, -0.0000476400000000 ] - [ -0.0078124500000000, 0.0288647300000000, 0.0000893500000000 ] - [ 0.0080256100000000, -0.0287027000000000, -0.0001747600000000 ] - [ 0.0077196000000000, -0.0286097200000000, -0.0000433600000000 ] - [ 0.0079189000000000, -0.0287576000000000, -0.0000931300000000 ] - [ 0.0078087200000000, -0.0288480200000000, 0.0000414800000000 ] - [ 0.0077494700000000, -0.0292161000000000, 0.0003092500000000 ] - [ 0.0077544100000000, -0.0289311900000000, -0.0000164600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000103000000000, -0.0015243700000000, -0.0014405500000000 ] - [ -0.0000103000000000, -0.0015243700000000, 0.0014405500000000 ] - [ 0.0000041600000000, -0.0000940100000000, 0.0001607000000000 ] - [ 0.0000059600000000, -0.0000956500000000, -0.0001608200000000 ] - [ -0.0000059600000000, -0.0000956500000000, 0.0001608200000000 ] - [ -0.0000041600000000, -0.0000940100000000, -0.0001607000000000 ] - [ -0.0006827300000000, -0.0009309800000000, 0.0004429700000000 ] - [ -0.0006809700000000, -0.0009379300000000, -0.0004416500000000 ] - [ -0.0000004500000000, -0.0000066000000000, -0.0000137300000000 ] - [ 0.0000004500000000, -0.0000066000000000, 0.0000137300000000 ] - [ 0.0006809700000000, -0.0009379300000000, 0.0004416500000000 ] - [ 0.0006827300000000, -0.0009309800000000, -0.0004429700000000 ] - [ -0.0000007800000000, 0.0000385200000000, 0.0000000700000000 ] - [ -0.0000258300000000, -0.0000151400000000, -0.0000002900000000 ] - [ 0.0000000000000000, -0.0000167500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000097600000000, 0.0000000000000000 ] - [ 0.0000007800000000, 0.0000385200000000, -0.0000000700000000 ] - [ 0.0000258300000000, -0.0000151400000000, 0.0000002900000000 ] - [ 0.0000000000000000, 0.0000933100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000199500000000, 0.0000000000000000 ] - [ 0.0000455100000000, -0.0000142200000000, -0.0000002500000000 ] - [ -0.0000087200000000, 0.0000002100000000, -0.0000000600000000 ] - [ -0.0000455100000000, -0.0000142200000000, 0.0000002500000000 ] - [ 0.0000087200000000, 0.0000002100000000, 0.0000000600000000 ] - [ 0.0000000000000000, -0.0712191500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006043200000000, 0.0000000000000000 ] - [ -0.0000325400000000, 0.0003481200000000, 0.0000028200000000 ] - [ -0.0002014900000000, -0.0007643300000000, -0.0000016000000000 ] - [ 0.0000325400000000, 0.0003481200000000, -0.0000028200000000 ] - [ 0.0002014900000000, -0.0007643300000000, 0.0000016000000000 ] - [ 0.0067766900000000, -0.0066972900000000, -0.0000180700000000 ] - [ -0.0004100700000000, -0.0002224300000000, 0.0000031600000000 ] - [ 0.0000000000000000, 0.0000429900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001522900000000, 0.0000000000000000 ] - [ -0.0067766900000000, -0.0066972900000000, 0.0000180700000000 ] - [ 0.0004100700000000, -0.0002224300000000, -0.0000031600000000 ] - [ 0.0000930600000000, 0.0000772600000000, -0.0001644600000000 ] - [ 0.0000931100000000, 0.0000781400000000, 0.0001644500000000 ] - [ -0.0000001900000000, -0.0000297600000000, 0.0000755700000000 ] - [ 0.0000001900000000, -0.0000297600000000, -0.0000755700000000 ] - [ -0.0000931100000000, 0.0000781400000000, -0.0001644500000000 ] - [ -0.0000930600000000, 0.0000772600000000, 0.0001644600000000 ] - [ -0.0000012100000000, 0.0001161600000000, 0.0001567800000000 ] - [ 0.0000012100000000, 0.0001161600000000, -0.0001567800000000 ] - [ -0.0000810500000000, 0.0000035900000000, 0.0000473600000000 ] - [ -0.0000821900000000, 0.0000039400000000, -0.0000492100000000 ] - [ 0.0000821900000000, 0.0000039400000000, 0.0000492100000000 ] - [ 0.0000810500000000, 0.0000035900000000, -0.0000473600000000 ] - [ -0.0020964200000000, 0.0045995400000000, 0.0028402100000000 ] - [ 0.0016152600000000, 0.0019826100000000, -0.0002126900000000 ] - [ 0.0011508200000000, 0.0020588400000000, -0.0006761600000000 ] - [ 0.0009032900000000, 0.0017325100000000, 0.0000567000000000 ] - [ 0.0010150600000000, 0.0017919000000000, -0.0000289600000000 ] - [ 0.0009429100000000, 0.0017499800000000, 0.0000491300000000 ] - [ 0.0010553200000000, -0.0008128200000000, 0.0000921800000000 ] - [ 0.0008833700000000, -0.0017070000000000, 0.0000243200000000 ] - [ 0.0009802900000000, -0.0016950000000000, -0.0001255100000000 ] - [ 0.0008784000000000, -0.0016364900000000, -0.0000466000000000 ] - [ 0.0009255400000000, -0.0017508200000000, 0.0000393600000000 ] - [ 0.0009753100000000, -0.0017226600000000, -0.0000056300000000 ] - [ -0.0010553200000000, -0.0008128200000000, -0.0000921800000000 ] - [ -0.0008833700000000, -0.0017070000000000, -0.0000243200000000 ] - [ -0.0009255400000000, -0.0017508200000000, -0.0000393600000000 ] - [ -0.0009753100000000, -0.0017226600000000, 0.0000056300000000 ] - [ -0.0009802900000000, -0.0016950000000000, 0.0001255100000000 ] - [ -0.0008784000000000, -0.0016364900000000, 0.0000466000000000 ] - [ 0.0020964200000000, 0.0045995400000000, -0.0028402100000000 ] - [ -0.0016152600000000, 0.0019826100000000, 0.0002126900000000 ] - [ -0.0010150600000000, 0.0017919000000000, 0.0000289600000000 ] - [ -0.0009429100000000, 0.0017499800000000, -0.0000491300000000 ] - [ -0.0011508200000000, 0.0020588400000000, 0.0006761600000000 ] - [ -0.0009032900000000, 0.0017325100000000, -0.0000567000000000 ] - [ 0.0008584500000000, 0.0026585800000000, 0.0000946000000000 ] - [ 0.0010326800000000, 0.0017674300000000, 0.0000239200000000 ] - [ 0.0009900300000000, 0.0017230900000000, 0.0000387800000000 ] - [ 0.0009407500000000, 0.0017509800000000, -0.0000056200000000 ] - [ 0.0009359900000000, 0.0017802500000000, -0.0001250500000000 ] - [ 0.0010363300000000, 0.0018360700000000, -0.0000455900000000 ] - [ 0.0040584100000000, 0.0011703400000000, 0.0028801900000000 ] - [ 0.0003036000000000, -0.0014872400000000, -0.0002100800000000 ] - [ 0.0009015100000000, -0.0016802800000000, -0.0000276100000000 ] - [ 0.0009725300000000, -0.0017228400000000, 0.0000486200000000 ] - [ 0.0007695300000000, -0.0014085500000000, -0.0006772900000000 ] - [ 0.0010112200000000, -0.0017402500000000, 0.0000561400000000 ] - [ -0.0040584100000000, 0.0011703400000000, -0.0028801900000000 ] - [ -0.0003036000000000, -0.0014872400000000, 0.0002100800000000 ] - [ -0.0007695300000000, -0.0014085500000000, 0.0006772900000000 ] - [ -0.0010112200000000, -0.0017402500000000, -0.0000561400000000 ] - [ -0.0009015100000000, -0.0016802800000000, 0.0000276100000000 ] - [ -0.0009725300000000, -0.0017228400000000, -0.0000486200000000 ] - [ -0.0008584500000000, 0.0026585800000000, -0.0000946000000000 ] - [ -0.0010326800000000, 0.0017674300000000, -0.0000239200000000 ] - [ -0.0009359900000000, 0.0017802500000000, 0.0001250500000000 ] - [ -0.0010363300000000, 0.0018360700000000, 0.0000455900000000 ] - [ -0.0009900300000000, 0.0017230900000000, -0.0000387800000000 ] - [ -0.0009407500000000, 0.0017509800000000, 0.0000056200000000 ] - [ -0.0177880700000000, -0.0123152000000000, -0.0090664200000000 ] - [ -0.0073423800000000, -0.0282210000000000, 0.0002933400000000 ] - [ -0.0080344100000000, -0.0287557900000000, -0.0000548700000000 ] - [ -0.0078070800000000, -0.0287221300000000, 0.0001449900000000 ] - [ -0.0068023300000000, -0.0274557800000000, 0.0002572600000000 ] - [ -0.0085628900000000, -0.0283056100000000, -0.0006280300000000 ] - [ 0.0080588500000000, 0.0284043800000000, -0.0000987600000000 ] - [ 0.0079070600000000, 0.0285595900000000, 0.0000399200000000 ] - [ 0.0079139600000000, 0.0285986500000000, 0.0000488300000000 ] - [ 0.0079273200000000, 0.0287952600000000, 0.0000158300000000 ] - [ 0.0078653700000000, 0.0288653600000000, 0.0000734800000000 ] - [ 0.0078762300000000, 0.0288299800000000, -0.0000333100000000 ] - [ -0.0080588500000000, 0.0284043800000000, 0.0000987600000000 ] - [ -0.0079070600000000, 0.0285595900000000, -0.0000399200000000 ] - [ -0.0078653700000000, 0.0288653600000000, -0.0000734800000000 ] - [ -0.0078762300000000, 0.0288299800000000, 0.0000333100000000 ] - [ -0.0079139600000000, 0.0285986500000000, -0.0000488300000000 ] - [ -0.0079273200000000, 0.0287952600000000, -0.0000158300000000 ] - [ 0.0177880700000000, -0.0123152000000000, 0.0090664200000000 ] - [ 0.0073423800000000, -0.0282210000000000, -0.0002933400000000 ] - [ 0.0068023300000000, -0.0274557800000000, -0.0002572600000000 ] - [ 0.0085628900000000, -0.0283056100000000, 0.0006280300000000 ] - [ 0.0080344100000000, -0.0287557900000000, 0.0000548700000000 ] - [ 0.0078070800000000, -0.0287221300000000, -0.0001449900000000 ] - [ -0.0077136000000000, -0.0292551500000000, 0.0000982700000000 ] - [ -0.0078666100000000, -0.0290929200000000, -0.0000395200000000 ] - [ -0.0078598800000000, -0.0290559400000000, -0.0000464000000000 ] - [ -0.0078450700000000, -0.0288638400000000, -0.0000153400000000 ] - [ -0.0079099200000000, -0.0287906700000000, -0.0000742400000000 ] - [ -0.0078955200000000, -0.0288293600000000, 0.0000328500000000 ] - [ -0.0023120500000000, 0.0455585500000000, 0.0094117100000000 ] - [ 0.0084262500000000, 0.0294326000000000, -0.0002946200000000 ] - [ 0.0077432800000000, 0.0288980100000000, 0.0000535600000000 ] - [ 0.0079656000000000, 0.0289339100000000, -0.0001440800000000 ] - [ 0.0089693900000000, 0.0301974400000000, -0.0002434500000000 ] - [ 0.0072140000000000, 0.0293471300000000, 0.0006266900000000 ] - [ 0.0023120500000000, 0.0455585500000000, -0.0094117100000000 ] - [ -0.0084262500000000, 0.0294326000000000, 0.0002946200000000 ] - [ -0.0089693900000000, 0.0301974400000000, 0.0002434500000000 ] - [ -0.0072140000000000, 0.0293471300000000, -0.0006266900000000 ] - [ -0.0077432800000000, 0.0288980100000000, -0.0000535600000000 ] - [ -0.0079656000000000, 0.0289339100000000, 0.0001440800000000 ] - [ 0.0077136000000000, -0.0292551500000000, -0.0000982700000000 ] - [ 0.0078666100000000, -0.0290929200000000, 0.0000395200000000 ] - [ 0.0079099200000000, -0.0287906700000000, 0.0000742400000000 ] - [ 0.0078955200000000, -0.0288293600000000, -0.0000328500000000 ] - [ 0.0078598800000000, -0.0290559400000000, 0.0000464000000000 ] - [ 0.0078450700000000, -0.0288638400000000, 0.0000153400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000115300000000, -0.0015295500000000, -0.0024698800000000 ] - [ -0.0000115300000000, 0.0015295500000000, -0.0024698800000000 ] - [ -0.0001813000000000, 0.0000962200000000, 0.0002530700000000 ] - [ 0.0001813000000000, -0.0000962200000000, 0.0002530700000000 ] - [ 0.0001809500000000, 0.0000951100000000, 0.0002536000000000 ] - [ -0.0001809500000000, -0.0000951100000000, 0.0002536000000000 ] - [ -0.0007609400000000, -0.0007612400000000, 0.0007098400000000 ] - [ 0.0007609400000000, 0.0007612400000000, 0.0007098400000000 ] - [ -0.0000001300000000, -0.0000182900000000, 0.0002236200000000 ] - [ 0.0000001300000000, 0.0000182900000000, 0.0002236200000000 ] - [ 0.0007601800000000, -0.0007663600000000, 0.0007035800000000 ] - [ -0.0007601800000000, 0.0007663600000000, 0.0007035800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000099300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000556600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001265500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000900400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000108700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000553800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003078800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003532700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000993300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000761200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000996800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000758500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0805600200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012550300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012323000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008018300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012293600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008040600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0105072200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004987700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010151800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007780900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103342900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005080900000000 ] - [ 0.0001478100000000, 0.0001639500000000, -0.0000668000000000 ] - [ -0.0001478100000000, -0.0001639500000000, -0.0000668000000000 ] - [ 0.0000000600000000, -0.0000755500000000, 0.0004538100000000 ] - [ -0.0000000600000000, 0.0000755500000000, 0.0004538100000000 ] - [ -0.0001476000000000, 0.0001647800000000, -0.0000697400000000 ] - [ 0.0001476000000000, -0.0001647800000000, -0.0000697400000000 ] - [ -0.0000004600000000, 0.0001567700000000, -0.0010948200000000 ] - [ 0.0000004600000000, -0.0001567700000000, -0.0010948200000000 ] - [ -0.0001999900000000, 0.0000481400000000, 0.0003966200000000 ] - [ 0.0001999900000000, -0.0000481400000000, 0.0003966200000000 ] - [ 0.0002011200000000, 0.0000483800000000, 0.0003971400000000 ] - [ -0.0002011200000000, -0.0000483800000000, 0.0003971400000000 ] - [ -0.0013509700000000, 0.0044345200000000, -0.0006844500000000 ] - [ 0.0020430400000000, 0.0017460700000000, -0.0002788200000000 ] - [ 0.0009981600000000, 0.0015351400000000, 0.0010239800000000 ] - [ 0.0008315200000000, 0.0016467700000000, 0.0000072800000000 ] - [ 0.0009301500000000, 0.0018061300000000, 0.0003590600000000 ] - [ 0.0009708000000000, 0.0017791500000000, 0.0002097700000000 ] - [ 0.0008681300000000, -0.0008205300000000, -0.0003206900000000 ] - [ 0.0010785600000000, -0.0017758800000000, -0.0002519800000000 ] - [ 0.0008133900000000, -0.0020141400000000, 0.0000762600000000 ] - [ 0.0010646600000000, -0.0018926200000000, 0.0001466200000000 ] - [ 0.0009878400000000, -0.0016703500000000, 0.0001890500000000 ] - [ 0.0009388100000000, -0.0016973700000000, 0.0001252200000000 ] - [ -0.0010466800000000, -0.0026529300000000, -0.0003168500000000 ] - [ -0.0008373100000000, -0.0016981800000000, -0.0002516200000000 ] - [ -0.0009278300000000, -0.0018028700000000, 0.0001885400000000 ] - [ -0.0009769200000000, -0.0017759500000000, 0.0001252800000000 ] - [ -0.0011030900000000, -0.0014596100000000, 0.0000761500000000 ] - [ -0.0008499800000000, -0.0015799800000000, 0.0001468500000000 ] - [ -0.0032743800000000, -0.0009752900000000, -0.0006861000000000 ] - [ 0.0001284100000000, 0.0017259800000000, -0.0002747100000000 ] - [ -0.0009857100000000, 0.0016673100000000, 0.0003595100000000 ] - [ -0.0009449300000000, 0.0016943500000000, 0.0002095500000000 ] - [ -0.0009211100000000, 0.0019348700000000, 0.0010194600000000 ] - [ -0.0010838900000000, 0.0018266900000000, 0.0000063700000000 ] - [ 0.0010466800000000, 0.0026529300000000, -0.0003168500000000 ] - [ 0.0008373100000000, 0.0016981800000000, -0.0002516200000000 ] - [ 0.0009278300000000, 0.0018028700000000, 0.0001885400000000 ] - [ 0.0009769200000000, 0.0017759500000000, 0.0001252800000000 ] - [ 0.0011030900000000, 0.0014596100000000, 0.0000761500000000 ] - [ 0.0008499800000000, 0.0015799800000000, 0.0001468500000000 ] - [ 0.0032743800000000, 0.0009752900000000, -0.0006861000000000 ] - [ -0.0001284100000000, -0.0017259800000000, -0.0002747100000000 ] - [ 0.0009857100000000, -0.0016673100000000, 0.0003595100000000 ] - [ 0.0009449300000000, -0.0016943500000000, 0.0002095500000000 ] - [ 0.0009211100000000, -0.0019348700000000, 0.0010194600000000 ] - [ 0.0010838900000000, -0.0018266900000000, 0.0000063700000000 ] - [ 0.0013509700000000, -0.0044345200000000, -0.0006844500000000 ] - [ -0.0020430400000000, -0.0017460700000000, -0.0002788200000000 ] - [ -0.0009981600000000, -0.0015351400000000, 0.0010239800000000 ] - [ -0.0008315200000000, -0.0016467700000000, 0.0000072800000000 ] - [ -0.0009301500000000, -0.0018061300000000, 0.0003590600000000 ] - [ -0.0009708000000000, -0.0017791500000000, 0.0002097700000000 ] - [ -0.0008681300000000, 0.0008205300000000, -0.0003206900000000 ] - [ -0.0010785600000000, 0.0017758800000000, -0.0002519800000000 ] - [ -0.0008133900000000, 0.0020141400000000, 0.0000762600000000 ] - [ -0.0010646600000000, 0.0018926200000000, 0.0001466200000000 ] - [ -0.0009878400000000, 0.0016703500000000, 0.0001890500000000 ] - [ -0.0009388100000000, 0.0016973700000000, 0.0001252200000000 ] - [ 0.0017343200000000, -0.0389222900000000, 0.0168972700000000 ] - [ -0.0074720400000000, -0.0283133000000000, 0.0010669700000000 ] - [ -0.0079777700000000, -0.0287291300000000, -0.0010805000000000 ] - [ -0.0078697600000000, -0.0288226600000000, -0.0007317600000000 ] - [ -0.0074054700000000, -0.0293260200000000, -0.0018752300000000 ] - [ -0.0085125800000000, -0.0286112500000000, -0.0004976000000000 ] - [ 0.0080103900000000, 0.0288131000000000, 0.0007048600000000 ] - [ 0.0076945700000000, 0.0282315000000000, 0.0004484800000000 ] - [ 0.0076523500000000, 0.0293368300000000, -0.0003033500000000 ] - [ 0.0079466100000000, 0.0288535900000000, -0.0000766800000000 ] - [ 0.0079311800000000, 0.0287742000000000, -0.0004528300000000 ] - [ 0.0078555000000000, 0.0288140800000000, -0.0003461700000000 ] - [ -0.0077644600000000, 0.0288445000000000, 0.0007030900000000 ] - [ -0.0080786100000000, 0.0294265400000000, 0.0004473700000000 ] - [ -0.0078426000000000, 0.0288827700000000, -0.0004524600000000 ] - [ -0.0079170200000000, 0.0288430600000000, -0.0003462100000000 ] - [ -0.0081201500000000, 0.0283205600000000, -0.0003031700000000 ] - [ -0.0078266300000000, 0.0288038400000000, -0.0000754100000000 ] - [ 0.0171341800000000, -0.0191307100000000, 0.0165622700000000 ] - [ 0.0082973100000000, -0.0293433000000000, 0.0010716800000000 ] - [ 0.0083697000000000, -0.0283292200000000, -0.0018819700000000 ] - [ 0.0072649300000000, -0.0290428200000000, -0.0004982300000000 ] - [ 0.0077971600000000, -0.0289273800000000, -0.0010805200000000 ] - [ 0.0079036400000000, -0.0288344600000000, -0.0007322200000000 ] - [ -0.0080103900000000, -0.0288131000000000, 0.0007048600000000 ] - [ -0.0076945700000000, -0.0282315000000000, 0.0004484800000000 ] - [ -0.0076523500000000, -0.0293368300000000, -0.0003033500000000 ] - [ -0.0079466100000000, -0.0288535900000000, -0.0000766800000000 ] - [ -0.0079311800000000, -0.0287742000000000, -0.0004528300000000 ] - [ -0.0078555000000000, -0.0288140800000000, -0.0003461700000000 ] - [ -0.0017343200000000, 0.0389222900000000, 0.0168972700000000 ] - [ 0.0074720400000000, 0.0283133000000000, 0.0010669700000000 ] - [ 0.0079777700000000, 0.0287291300000000, -0.0010805000000000 ] - [ 0.0078697600000000, 0.0288226600000000, -0.0007317600000000 ] - [ 0.0074054700000000, 0.0293260200000000, -0.0018752300000000 ] - [ 0.0085125800000000, 0.0286112500000000, -0.0004976000000000 ] - [ -0.0171341800000000, 0.0191307100000000, 0.0165622700000000 ] - [ -0.0082973100000000, 0.0293433000000000, 0.0010716800000000 ] - [ -0.0083697000000000, 0.0283292200000000, -0.0018819700000000 ] - [ -0.0072649300000000, 0.0290428200000000, -0.0004982300000000 ] - [ -0.0077971600000000, 0.0289273800000000, -0.0010805200000000 ] - [ -0.0079036400000000, 0.0288344600000000, -0.0007322200000000 ] - [ 0.0077644600000000, -0.0288445000000000, 0.0007030900000000 ] - [ 0.0080786100000000, -0.0294265400000000, 0.0004473700000000 ] - [ 0.0078426000000000, -0.0288827700000000, -0.0004524600000000 ] - [ 0.0079170200000000, -0.0288430600000000, -0.0003462100000000 ] - [ 0.0081201500000000, -0.0283205600000000, -0.0003031700000000 ] - [ 0.0078266300000000, -0.0288038400000000, -0.0000754100000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003608200000000, -0.0001356700000000, -0.0000457100000000 ] - [ 0.0002270300000000, 0.0021736000000000, 0.0013503900000000 ] - [ 0.0000337400000000, 0.0000014200000000, 0.0000039000000000 ] - [ -0.0000469800000000, 0.0000106800000000, -0.0000098500000000 ] - [ 0.0001088500000000, 0.0000587000000000, 0.0000294100000000 ] - [ -0.0001380600000000, -0.0000489700000000, -0.0000266400000000 ] - [ 0.0001088500000000, 0.0000587000000000, -0.0000294100000000 ] - [ -0.0001380600000000, -0.0000489700000000, 0.0000266400000000 ] - [ 0.0000337400000000, 0.0000014200000000, -0.0000039000000000 ] - [ -0.0000469800000000, 0.0000106800000000, 0.0000098500000000 ] - [ 0.0003608200000000, -0.0001356700000000, 0.0000457100000000 ] - [ 0.0002270300000000, 0.0021736000000000, -0.0013503900000000 ] - [ -0.0000462600000000, 0.0000150500000000, -0.0000034700000000 ] - [ 0.0000609500000000, -0.0000077800000000, 0.0000239000000000 ] - [ -0.0000166500000000, -0.0000060900000000, 0.0000040000000000 ] - [ 0.0000215900000000, 0.0000093000000000, -0.0000070600000000 ] - [ -0.0000884600000000, 0.0000938600000000, -0.0000437900000000 ] - [ 0.0000610400000000, -0.0000365600000000, 0.0000160100000000 ] - [ -0.0000884600000000, 0.0000938600000000, 0.0000437900000000 ] - [ 0.0000610400000000, -0.0000365600000000, -0.0000160100000000 ] - [ -0.0000166500000000, -0.0000060900000000, -0.0000040000000000 ] - [ 0.0000215900000000, 0.0000093000000000, 0.0000070600000000 ] - [ -0.0000462600000000, 0.0000150500000000, 0.0000034700000000 ] - [ 0.0000609500000000, -0.0000077800000000, -0.0000239000000000 ] - [ 0.0002919800000000, -0.0030659100000000, -0.0023045200000000 ] - [ 0.0006253300000000, 0.0006563600000000, 0.0010832200000000 ] - [ 0.0000490000000000, 0.0000566600000000, -0.0000280400000000 ] - [ -0.0000014000000000, -0.0000148700000000, 0.0000129000000000 ] - [ 0.0002326700000000, 0.0001907900000000, 0.0000388700000000 ] - [ -0.0000268900000000, -0.0000543100000000, -0.0001261600000000 ] - [ 0.0002326700000000, 0.0001907900000000, -0.0000388700000000 ] - [ -0.0000268900000000, -0.0000543100000000, 0.0001261600000000 ] - [ 0.0000490000000000, 0.0000566600000000, 0.0000280400000000 ] - [ -0.0000014000000000, -0.0000148700000000, -0.0000129000000000 ] - [ 0.0002919800000000, -0.0030659100000000, 0.0023045200000000 ] - [ 0.0006253300000000, 0.0006563600000000, -0.0010832200000000 ] - [ 0.0001325400000000, 0.0000785000000000, -0.0001067500000000 ] - [ -0.0001879700000000, -0.0000224600000000, 0.0001449500000000 ] - [ 0.0000243900000000, -0.0000173700000000, 0.0000188800000000 ] - [ -0.0000428400000000, 0.0000322700000000, -0.0000298900000000 ] - [ 0.0000395500000000, 0.0000744700000000, -0.0001204300000000 ] - [ 0.0001393900000000, -0.0000979900000000, 0.0000918000000000 ] - [ 0.0000395500000000, 0.0000744700000000, 0.0001204300000000 ] - [ 0.0001393900000000, -0.0000979900000000, -0.0000918000000000 ] - [ 0.0000243900000000, -0.0000173700000000, -0.0000188800000000 ] - [ -0.0000428400000000, 0.0000322700000000, 0.0000298900000000 ] - [ 0.0001325400000000, 0.0000785000000000, 0.0001067500000000 ] - [ -0.0001879700000000, -0.0000224600000000, -0.0001449500000000 ] - [ -0.0147419300000000, 0.0049325300000000, 0.0000000000000000 ] - [ 0.0013707900000000, 0.0016348400000000, 0.0000000000000000 ] - [ 0.0009456800000000, 0.0017775300000000, -0.0000458200000000 ] - [ 0.0009737800000000, 0.0017197000000000, 0.0000303600000000 ] - [ 0.0009456800000000, 0.0017775300000000, 0.0000458200000000 ] - [ 0.0009737800000000, 0.0017197000000000, -0.0000303600000000 ] - [ 0.0028863500000000, -0.0000407700000000, 0.0000000000000000 ] - [ 0.0029018000000000, -0.0035317600000000, 0.0000000000000000 ] - [ 0.0009591400000000, -0.0017309100000000, -0.0000298000000000 ] - [ 0.0009590500000000, -0.0017265100000000, 0.0000390600000000 ] - [ 0.0009591400000000, -0.0017309100000000, 0.0000298000000000 ] - [ 0.0009590500000000, -0.0017265100000000, -0.0000390600000000 ] - [ -0.0016885800000000, -0.0016056000000000, -0.0000672500000000 ] - [ -0.0008657800000000, -0.0017807900000000, 0.0000052900000000 ] - [ -0.0009679200000000, -0.0017171000000000, 0.0000000000000000 ] - [ -0.0009489700000000, -0.0017435300000000, 0.0000000000000000 ] - [ -0.0016885800000000, -0.0016056000000000, 0.0000672500000000 ] - [ -0.0008657800000000, -0.0017807900000000, -0.0000052900000000 ] - [ -0.0004648000000000, 0.0016852700000000, -0.0006550100000000 ] - [ -0.0004469000000000, 0.0018154800000000, 0.0009575000000000 ] - [ -0.0009387500000000, 0.0017423900000000, 0.0000000000000000 ] - [ -0.0009707800000000, 0.0017399300000000, 0.0000000000000000 ] - [ -0.0004648000000000, 0.0016852700000000, 0.0006550100000000 ] - [ -0.0004469000000000, 0.0018154800000000, -0.0009575000000000 ] - [ 0.0009632600000000, 0.0016960800000000, 0.0000272000000000 ] - [ 0.0009631300000000, 0.0017319500000000, -0.0000188700000000 ] - [ 0.0009598900000000, 0.0017192100000000, 0.0000000000000000 ] - [ 0.0009598200000000, 0.0017333900000000, 0.0000000000000000 ] - [ 0.0009632600000000, 0.0016960800000000, -0.0000272000000000 ] - [ 0.0009631300000000, 0.0017319500000000, 0.0000188700000000 ] - [ 0.0008565700000000, -0.0018182400000000, -0.0000445300000000 ] - [ 0.0010511700000000, -0.0016957800000000, 0.0000721000000000 ] - [ 0.0009224900000000, -0.0017605300000000, 0.0000000000000000 ] - [ 0.0009766100000000, -0.0017337400000000, 0.0000000000000000 ] - [ 0.0008565700000000, -0.0018182400000000, 0.0000445300000000 ] - [ 0.0010511700000000, -0.0016957800000000, -0.0000721000000000 ] - [ -0.0007765300000000, -0.0019934100000000, 0.0000000000000000 ] - [ -0.0010847300000000, -0.0015590900000000, 0.0000000000000000 ] - [ -0.0009210900000000, -0.0017360800000000, -0.0000358800000000 ] - [ -0.0009925800000000, -0.0017472200000000, 0.0000362000000000 ] - [ -0.0009210900000000, -0.0017360800000000, 0.0000358800000000 ] - [ -0.0009925800000000, -0.0017472200000000, -0.0000362000000000 ] - [ -0.0009555500000000, 0.0015989500000000, 0.0000000000000000 ] - [ -0.0009518600000000, 0.0017972300000000, 0.0000000000000000 ] - [ -0.0009979900000000, 0.0016966900000000, 0.0000096400000000 ] - [ -0.0009251100000000, 0.0017498300000000, -0.0000029400000000 ] - [ -0.0009979900000000, 0.0016966900000000, -0.0000096400000000 ] - [ -0.0009251100000000, 0.0017498300000000, 0.0000029400000000 ] - [ -0.0071284300000000, -0.0290385600000000, -0.0001307100000000 ] - [ -0.0082735700000000, -0.0287903300000000, -0.0003063200000000 ] - [ -0.0078768900000000, -0.0288659500000000, 0.0000000000000000 ] - [ -0.0078968200000000, -0.0288183400000000, 0.0000000000000000 ] - [ -0.0071284300000000, -0.0290385600000000, 0.0001307100000000 ] - [ -0.0082735700000000, -0.0287903300000000, 0.0003063200000000 ] - [ 0.0084234400000000, 0.0287666400000000, 0.0000000000000000 ] - [ 0.0075964300000000, 0.0288135900000000, 0.0000000000000000 ] - [ 0.0079598100000000, 0.0287766800000000, -0.0000263400000000 ] - [ 0.0078216400000000, 0.0288496900000000, 0.0000159000000000 ] - [ 0.0079598100000000, 0.0287766800000000, 0.0000263400000000 ] - [ 0.0078216400000000, 0.0288496900000000, -0.0000159000000000 ] - [ -0.0080596400000000, 0.0285745800000000, 0.0001875000000000 ] - [ -0.0078354800000000, 0.0291722500000000, -0.0002580600000000 ] - [ -0.0078905300000000, 0.0288309200000000, 0.0000000000000000 ] - [ -0.0078794300000000, 0.0288129600000000, 0.0000000000000000 ] - [ -0.0080596400000000, 0.0285745800000000, -0.0001875000000000 ] - [ -0.0078354800000000, 0.0291722500000000, 0.0002580600000000 ] - [ 0.0148313500000000, -0.0305907900000000, 0.0000000000000000 ] - [ 0.0068471900000000, -0.0298231300000000, 0.0000000000000000 ] - [ 0.0078545600000000, -0.0288674400000000, -0.0000144000000000 ] - [ 0.0079339600000000, -0.0288121500000000, -0.0000396900000000 ] - [ 0.0078545600000000, -0.0288674400000000, 0.0000144000000000 ] - [ 0.0079339600000000, -0.0288121500000000, 0.0000396900000000 ] - [ -0.0078691400000000, -0.0288426100000000, 0.0000000000000000 ] - [ -0.0078235100000000, -0.0288738300000000, 0.0000000000000000 ] - [ -0.0079018400000000, -0.0288236800000000, 0.0000547000000000 ] - [ -0.0078734000000000, -0.0288047700000000, -0.0001106600000000 ] - [ -0.0079018400000000, -0.0288236800000000, -0.0000547000000000 ] - [ -0.0078734000000000, -0.0288047700000000, 0.0001106600000000 ] - [ 0.0078358300000000, 0.0291681600000000, 0.0004834800000000 ] - [ 0.0079855500000000, 0.0286283600000000, -0.0003644600000000 ] - [ 0.0078390500000000, 0.0288099900000000, 0.0000000000000000 ] - [ 0.0079177100000000, 0.0288310700000000, 0.0000000000000000 ] - [ 0.0078358300000000, 0.0291681600000000, -0.0004834800000000 ] - [ 0.0079855500000000, 0.0286283600000000, 0.0003644600000000 ] - [ -0.0069538600000000, 0.0292788400000000, 0.0000000000000000 ] - [ -0.0086148000000000, 0.0282689200000000, 0.0000000000000000 ] - [ -0.0078254800000000, 0.0289390900000000, 0.0002007800000000 ] - [ -0.0079585500000000, 0.0287861000000000, -0.0000878700000000 ] - [ -0.0078254800000000, 0.0289390900000000, -0.0002007800000000 ] - [ -0.0079585500000000, 0.0287861000000000, 0.0000878700000000 ] - [ 0.0079899500000000, -0.0287180900000000, -0.0000773900000000 ] - [ 0.0077538500000000, -0.0289022800000000, -0.0000292100000000 ] - [ 0.0079340300000000, -0.0287999100000000, 0.0000000000000000 ] - [ 0.0078528300000000, -0.0288422300000000, 0.0000000000000000 ] - [ 0.0079899500000000, -0.0287180900000000, 0.0000773900000000 ] - [ 0.0077538500000000, -0.0289022800000000, 0.0000292100000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003623000000000, 0.0001361900000000, 0.0000414700000000 ] - [ -0.0002353100000000, -0.0021657900000000, -0.0013463100000000 ] - [ -0.0000338200000000, -0.0000014300000000, -0.0000039600000000 ] - [ 0.0000467600000000, -0.0000105700000000, 0.0000099400000000 ] - [ -0.0001089300000000, -0.0000584800000000, -0.0000292800000000 ] - [ 0.0001375500000000, 0.0000492600000000, 0.0000266100000000 ] - [ -0.0001089300000000, -0.0000584800000000, 0.0000292800000000 ] - [ 0.0001375500000000, 0.0000492600000000, -0.0000266100000000 ] - [ -0.0000338200000000, -0.0000014300000000, 0.0000039600000000 ] - [ 0.0000467600000000, -0.0000105700000000, -0.0000099400000000 ] - [ -0.0003623000000000, 0.0001361900000000, -0.0000414700000000 ] - [ -0.0002353100000000, -0.0021657900000000, 0.0013463100000000 ] - [ 0.0000468800000000, -0.0000150500000000, 0.0000033700000000 ] - [ -0.0000608600000000, 0.0000079300000000, -0.0000238300000000 ] - [ 0.0000167100000000, 0.0000061200000000, -0.0000041800000000 ] - [ -0.0000216900000000, -0.0000093000000000, 0.0000070000000000 ] - [ 0.0000900900000000, -0.0000941100000000, 0.0000443800000000 ] - [ -0.0000611200000000, 0.0000360300000000, -0.0000161100000000 ] - [ 0.0000900900000000, -0.0000941100000000, -0.0000443800000000 ] - [ -0.0000611200000000, 0.0000360300000000, 0.0000161100000000 ] - [ 0.0000167100000000, 0.0000061200000000, 0.0000041800000000 ] - [ -0.0000216900000000, -0.0000093000000000, -0.0000070000000000 ] - [ 0.0000468800000000, -0.0000150500000000, -0.0000033700000000 ] - [ -0.0000608600000000, 0.0000079300000000, 0.0000238300000000 ] - [ -0.0002880400000000, 0.0030885800000000, 0.0023209900000000 ] - [ -0.0006171600000000, -0.0006553600000000, -0.0010882000000000 ] - [ -0.0000489800000000, -0.0000567900000000, 0.0000279100000000 ] - [ 0.0000011000000000, 0.0000150500000000, -0.0000125900000000 ] - [ -0.0002323500000000, -0.0001901200000000, -0.0000380200000000 ] - [ 0.0000270600000000, 0.0000535700000000, 0.0001258300000000 ] - [ -0.0002323500000000, -0.0001901200000000, 0.0000380200000000 ] - [ 0.0000270600000000, 0.0000535700000000, -0.0001258300000000 ] - [ -0.0000489800000000, -0.0000567900000000, -0.0000279100000000 ] - [ 0.0000011000000000, 0.0000150500000000, 0.0000125900000000 ] - [ -0.0002880400000000, 0.0030885800000000, -0.0023209900000000 ] - [ -0.0006171600000000, -0.0006553600000000, 0.0010882000000000 ] - [ -0.0001338200000000, -0.0000790100000000, 0.0001076000000000 ] - [ 0.0001859700000000, 0.0000217000000000, -0.0001446400000000 ] - [ -0.0000246000000000, 0.0000174800000000, -0.0000190200000000 ] - [ 0.0000425200000000, -0.0000318600000000, 0.0000299200000000 ] - [ -0.0000394600000000, -0.0000757300000000, 0.0001206100000000 ] - [ -0.0001439100000000, 0.0000987300000000, -0.0000862900000000 ] - [ -0.0000394600000000, -0.0000757300000000, -0.0001206100000000 ] - [ -0.0001439100000000, 0.0000987300000000, 0.0000862900000000 ] - [ -0.0000246000000000, 0.0000174800000000, 0.0000190200000000 ] - [ 0.0000425200000000, -0.0000318600000000, -0.0000299200000000 ] - [ -0.0001338200000000, -0.0000790100000000, -0.0001076000000000 ] - [ 0.0001859700000000, 0.0000217000000000, 0.0001446400000000 ] - [ 0.0168853600000000, -0.0016388600000000, 0.0000000000000000 ] - [ 0.0005458600000000, 0.0018418100000000, 0.0000000000000000 ] - [ 0.0009696900000000, 0.0016959300000000, 0.0000455100000000 ] - [ 0.0009419000000000, 0.0017538900000000, -0.0000303100000000 ] - [ 0.0009696900000000, 0.0016959300000000, -0.0000455100000000 ] - [ 0.0009419000000000, 0.0017538900000000, 0.0000303100000000 ] - [ -0.0009866000000000, -0.0034503900000000, 0.0000000000000000 ] - [ -0.0009712600000000, 0.0000382500000000, 0.0000000000000000 ] - [ 0.0009564800000000, -0.0017423000000000, 0.0000299400000000 ] - [ 0.0009563500000000, -0.0017469800000000, -0.0000389700000000 ] - [ 0.0009564800000000, -0.0017423000000000, -0.0000299400000000 ] - [ 0.0009563500000000, -0.0017469800000000, 0.0000389700000000 ] - [ -0.0002260600000000, -0.0018624300000000, 0.0000587600000000 ] - [ -0.0010500700000000, -0.0016925100000000, -0.0000049500000000 ] - [ -0.0009476000000000, -0.0017563600000000, 0.0000000000000000 ] - [ -0.0009663400000000, -0.0017293200000000, 0.0000000000000000 ] - [ -0.0002260600000000, -0.0018624300000000, -0.0000587600000000 ] - [ -0.0010500700000000, -0.0016925100000000, 0.0000049500000000 ] - [ -0.0014554300000000, 0.0017899800000000, 0.0006607700000000 ] - [ -0.0014649600000000, 0.0016585200000000, -0.0009492100000000 ] - [ -0.0009769200000000, 0.0017313200000000, 0.0000000000000000 ] - [ -0.0009448700000000, 0.0017336900000000, 0.0000000000000000 ] - [ -0.0014554300000000, 0.0017899800000000, -0.0006607700000000 ] - [ -0.0014649600000000, 0.0016585200000000, 0.0009492100000000 ] - [ 0.0009522900000000, 0.0017771700000000, -0.0000273600000000 ] - [ 0.0009521400000000, 0.0017416600000000, 0.0000183700000000 ] - [ 0.0009557200000000, 0.0017543200000000, 0.0000000000000000 ] - [ 0.0009556600000000, 0.0017402500000000, 0.0000000000000000 ] - [ 0.0009522900000000, 0.0017771700000000, 0.0000273600000000 ] - [ 0.0009521400000000, 0.0017416600000000, -0.0000183700000000 ] - [ 0.0010587600000000, -0.0016550400000000, 0.0000452000000000 ] - [ 0.0008644700000000, -0.0017777900000000, -0.0000730700000000 ] - [ 0.0009930100000000, -0.0017128100000000, 0.0000000000000000 ] - [ 0.0009388600000000, -0.0017396900000000, 0.0000000000000000 ] - [ 0.0010587600000000, -0.0016550400000000, -0.0000452000000000 ] - [ 0.0008644700000000, -0.0017777900000000, 0.0000730700000000 ] - [ -0.0011406900000000, -0.0014809200000000, 0.0000000000000000 ] - [ -0.0008300800000000, -0.0019132600000000, 0.0000000000000000 ] - [ -0.0009945000000000, -0.0017376500000000, 0.0000357700000000 ] - [ -0.0009232200000000, -0.0017261900000000, -0.0000360700000000 ] - [ -0.0009945000000000, -0.0017376500000000, -0.0000357700000000 ] - [ -0.0009232200000000, -0.0017261900000000, 0.0000360700000000 ] - [ -0.0009599200000000, 0.0018760300000000, 0.0000000000000000 ] - [ -0.0009643800000000, 0.0016755000000000, 0.0000000000000000 ] - [ -0.0009181200000000, 0.0017768600000000, -0.0000098200000000 ] - [ -0.0009906600000000, 0.0017237100000000, 0.0000030800000000 ] - [ -0.0009181200000000, 0.0017768600000000, 0.0000098200000000 ] - [ -0.0009906600000000, 0.0017237100000000, -0.0000030800000000 ] - [ -0.0086463500000000, -0.0286197000000000, 0.0001174300000000 ] - [ -0.0075021100000000, -0.0288657400000000, 0.0003068500000000 ] - [ -0.0078967500000000, -0.0287915100000000, 0.0000000000000000 ] - [ -0.0078774500000000, -0.0288384500000000, 0.0000000000000000 ] - [ -0.0086463500000000, -0.0286197000000000, -0.0001174300000000 ] - [ -0.0075021100000000, -0.0288657400000000, -0.0003068500000000 ] - [ 0.0073515900000000, 0.0288980600000000, 0.0000000000000000 ] - [ 0.0081781700000000, 0.0288449000000000, 0.0000000000000000 ] - [ 0.0078148800000000, 0.0288785900000000, 0.0000266200000000 ] - [ 0.0079536400000000, 0.0288047700000000, -0.0000161100000000 ] - [ 0.0078148800000000, 0.0288785900000000, -0.0000266200000000 ] - [ 0.0079536400000000, 0.0288047700000000, 0.0000161100000000 ] - [ -0.0077132800000000, 0.0290850000000000, -0.0001892700000000 ] - [ -0.0079362900000000, 0.0284857700000000, 0.0002573300000000 ] - [ -0.0078823200000000, 0.0288271700000000, 0.0000000000000000 ] - [ -0.0078932100000000, 0.0288446300000000, 0.0000000000000000 ] - [ -0.0077132800000000, 0.0290850000000000, 0.0001892700000000 ] - [ -0.0079362900000000, 0.0284857700000000, -0.0002573300000000 ] - [ 0.0006804800000000, -0.0269466900000000, 0.0000000000000000 ] - [ 0.0089736500000000, -0.0278122600000000, 0.0000000000000000 ] - [ 0.0079148600000000, -0.0287948000000000, 0.0000148900000000 ] - [ 0.0078411900000000, -0.0288419500000000, 0.0000394100000000 ] - [ 0.0079148600000000, -0.0287948000000000, -0.0000148900000000 ] - [ 0.0078411900000000, -0.0288419500000000, -0.0000394100000000 ] - [ -0.0079052200000000, -0.0288133500000000, 0.0000000000000000 ] - [ -0.0079491500000000, -0.0287821900000000, 0.0000000000000000 ] - [ -0.0078697600000000, -0.0288372900000000, -0.0000546300000000 ] - [ -0.0078983100000000, -0.0288541700000000, 0.0001105400000000 ] - [ -0.0078697600000000, -0.0288372900000000, 0.0000546300000000 ] - [ -0.0078983100000000, -0.0288541700000000, -0.0001105400000000 ] - [ 0.0079376500000000, 0.0284867900000000, -0.0004851000000000 ] - [ 0.0077865500000000, 0.0290275700000000, 0.0003625600000000 ] - [ 0.0079361600000000, 0.0288440800000000, 0.0000000000000000 ] - [ 0.0078551700000000, 0.0288268800000000, 0.0000000000000000 ] - [ 0.0079376500000000, 0.0284867900000000, 0.0004851000000000 ] - [ 0.0077865500000000, 0.0290275700000000, -0.0003625600000000 ] - [ -0.0088248300000000, 0.0283763500000000, 0.0000000000000000 ] - [ -0.0071646400000000, 0.0293925000000000, 0.0000000000000000 ] - [ -0.0079480600000000, 0.0287182800000000, -0.0002004600000000 ] - [ -0.0078153500000000, 0.0288709000000000, 0.0000876500000000 ] - [ -0.0079480600000000, 0.0287182800000000, 0.0002004600000000 ] - [ -0.0078153500000000, 0.0288709000000000, -0.0000876500000000 ] - [ 0.0077848000000000, -0.0289374800000000, 0.0000796600000000 ] - [ 0.0080197400000000, -0.0287559300000000, 0.0000293600000000 ] - [ 0.0078398700000000, -0.0288557700000000, 0.0000000000000000 ] - [ 0.0079223700000000, -0.0288129800000000, 0.0000000000000000 ] - [ 0.0077848000000000, -0.0289374800000000, -0.0000796600000000 ] - [ 0.0080197400000000, -0.0287559300000000, -0.0000293600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000971700000000, 0.0001088800000000, -0.0000139900000000 ] - [ 0.0020079400000000, 0.0023238100000000, 0.0020397300000000 ] - [ -0.0000208600000000, 0.0000146200000000, 0.0000141000000000 ] - [ 0.0000164400000000, 0.0000055500000000, 0.0000130000000000 ] - [ -0.0000511600000000, -0.0000199200000000, -0.0000244600000000 ] - [ 0.0000840600000000, 0.0000872500000000, -0.0000907400000000 ] - [ -0.0000511600000000, -0.0000199200000000, 0.0000244600000000 ] - [ 0.0000840600000000, 0.0000872500000000, 0.0000907400000000 ] - [ -0.0000208600000000, 0.0000146200000000, -0.0000141000000000 ] - [ 0.0000164400000000, 0.0000055500000000, -0.0000130000000000 ] - [ -0.0000971700000000, 0.0001088800000000, 0.0000139900000000 ] - [ 0.0020079400000000, 0.0023238100000000, -0.0020397300000000 ] - [ 0.0000495900000000, 0.0000028300000000, -0.0000628900000000 ] - [ -0.0000817000000000, 0.0000411200000000, -0.0000479600000000 ] - [ 0.0000239700000000, 0.0000030700000000, 0.0000099000000000 ] - [ -0.0000214100000000, -0.0000024000000000, 0.0000174800000000 ] - [ 0.0002567400000000, 0.0002082600000000, 0.0001879900000000 ] - [ -0.0001120900000000, -0.0000064700000000, 0.0000082700000000 ] - [ 0.0002567400000000, 0.0002082600000000, -0.0001879900000000 ] - [ -0.0001120900000000, -0.0000064700000000, -0.0000082700000000 ] - [ 0.0000239700000000, 0.0000030700000000, -0.0000099000000000 ] - [ -0.0000214100000000, -0.0000024000000000, -0.0000174800000000 ] - [ 0.0000495900000000, 0.0000028300000000, 0.0000628900000000 ] - [ -0.0000817000000000, 0.0000411200000000, 0.0000479600000000 ] - [ -0.0030691200000000, 0.0029025900000000, 0.0027279100000000 ] - [ 0.0001149100000000, 0.0002472200000000, 0.0000081700000000 ] - [ 0.0000576600000000, 0.0000561600000000, 0.0000688700000000 ] - [ -0.0000217500000000, 0.0000130300000000, 0.0000428000000000 ] - [ 0.0000613100000000, 0.0003232800000000, -0.0001996600000000 ] - [ -0.0000322200000000, -0.0000035000000000, -0.0000899000000000 ] - [ 0.0000613100000000, 0.0003232800000000, 0.0001996600000000 ] - [ -0.0000322200000000, -0.0000035000000000, 0.0000899000000000 ] - [ 0.0000576600000000, 0.0000561600000000, -0.0000688700000000 ] - [ -0.0000217500000000, 0.0000130300000000, -0.0000428000000000 ] - [ -0.0030691200000000, 0.0029025900000000, -0.0027279100000000 ] - [ 0.0001149100000000, 0.0002472200000000, -0.0000081700000000 ] - [ 0.0000286400000000, 0.0000997000000000, -0.0001560200000000 ] - [ 0.0001774500000000, 0.0000420300000000, -0.0002765600000000 ] - [ -0.0000260600000000, 0.0000138100000000, 0.0000393500000000 ] - [ 0.0000054400000000, -0.0000138800000000, 0.0000660400000000 ] - [ 0.0000296700000000, 0.0000304700000000, -0.0000389500000000 ] - [ -0.0005989000000000, 0.0009166100000000, 0.0009194200000000 ] - [ 0.0000296700000000, 0.0000304700000000, 0.0000389500000000 ] - [ -0.0005989000000000, 0.0009166100000000, -0.0009194200000000 ] - [ -0.0000260600000000, 0.0000138100000000, -0.0000393500000000 ] - [ 0.0000054400000000, -0.0000138800000000, -0.0000660400000000 ] - [ 0.0000286400000000, 0.0000997000000000, 0.0001560200000000 ] - [ 0.0001774500000000, 0.0000420300000000, 0.0002765600000000 ] - [ 0.0042676400000000, -0.0177238400000000, 0.0000000000000000 ] - [ 0.0008542900000000, 0.0016372800000000, 0.0000000000000000 ] - [ 0.0009983200000000, 0.0016150900000000, 0.0000747700000000 ] - [ 0.0009407800000000, 0.0016566100000000, 0.0000072800000000 ] - [ 0.0009983200000000, 0.0016150900000000, -0.0000747700000000 ] - [ 0.0009407800000000, 0.0016566100000000, -0.0000072800000000 ] - [ 0.0027373100000000, -0.0012877700000000, 0.0000000000000000 ] - [ -0.0007418300000000, -0.0012881900000000, 0.0000000000000000 ] - [ 0.0009474600000000, -0.0018381900000000, -0.0000160700000000 ] - [ 0.0009520600000000, -0.0018382800000000, -0.0000616700000000 ] - [ 0.0009474600000000, -0.0018381900000000, 0.0000160700000000 ] - [ 0.0009520600000000, -0.0018382800000000, 0.0000616700000000 ] - [ -0.0008300400000000, -0.0011244400000000, -0.0019934200000000 ] - [ -0.0010019700000000, -0.0018544500000000, 0.0000134000000000 ] - [ -0.0009383200000000, -0.0018175100000000, 0.0000000000000000 ] - [ -0.0009649000000000, -0.0017967600000000, 0.0000000000000000 ] - [ -0.0008300400000000, -0.0011244400000000, 0.0019934200000000 ] - [ -0.0010019700000000, -0.0018544500000000, -0.0000134000000000 ] - [ -0.0009048100000000, 0.0014832700000000, -0.0000244400000000 ] - [ -0.0010370700000000, 0.0013592900000000, -0.0000788000000000 ] - [ -0.0009635000000000, 0.0016655400000000, 0.0000000000000000 ] - [ -0.0009611100000000, 0.0016691100000000, 0.0000000000000000 ] - [ -0.0009048100000000, 0.0014832700000000, 0.0000244400000000 ] - [ -0.0010370700000000, 0.0013592900000000, 0.0000788000000000 ] - [ 0.0009528500000000, 0.0018966800000000, 0.0000127700000000 ] - [ 0.0009171900000000, 0.0018966800000000, -0.0000571900000000 ] - [ 0.0009542800000000, 0.0017973300000000, 0.0000000000000000 ] - [ 0.0009403100000000, 0.0017974600000000, 0.0000000000000000 ] - [ 0.0009528500000000, 0.0018966800000000, -0.0000127700000000 ] - [ 0.0009171900000000, 0.0018966800000000, 0.0000571900000000 ] - [ 0.0010392100000000, -0.0015215400000000, 0.0002608600000000 ] - [ 0.0009166500000000, -0.0016410700000000, -0.0000156500000000 ] - [ 0.0009813400000000, -0.0016650100000000, 0.0000000000000000 ] - [ 0.0009547400000000, -0.0016778100000000, 0.0000000000000000 ] - [ 0.0010392100000000, -0.0015215400000000, -0.0002608600000000 ] - [ 0.0009166500000000, -0.0016410700000000, 0.0000156500000000 ] - [ -0.0012145700000000, -0.0015927800000000, 0.0000000000000000 ] - [ -0.0007801400000000, -0.0015309600000000, 0.0000000000000000 ] - [ -0.0009569500000000, -0.0016545800000000, 0.0000421900000000 ] - [ -0.0009685400000000, -0.0016477900000000, 0.0000123500000000 ] - [ -0.0009569500000000, -0.0016545800000000, -0.0000421900000000 ] - [ -0.0009685400000000, -0.0016477900000000, -0.0000123500000000 ] - [ -0.0008192100000000, 0.0021878600000000, 0.0000000000000000 ] - [ -0.0010190000000000, 0.0018015700000000, 0.0000000000000000 ] - [ -0.0009179100000000, 0.0018264200000000, -0.0000377600000000 ] - [ -0.0009710300000000, 0.0018092100000000, -0.0000103900000000 ] - [ -0.0009179100000000, 0.0018264200000000, 0.0000377600000000 ] - [ -0.0009710300000000, 0.0018092100000000, 0.0000103900000000 ] - [ -0.0080736000000000, -0.0279063300000000, 0.0006439200000000 ] - [ -0.0078330200000000, -0.0288149500000000, -0.0001481600000000 ] - [ -0.0079212200000000, -0.0287965200000000, 0.0000000000000000 ] - [ -0.0078680900000000, -0.0288017700000000, 0.0000000000000000 ] - [ -0.0080736000000000, -0.0279063300000000, -0.0006439200000000 ] - [ -0.0078330200000000, -0.0288149500000000, 0.0001481600000000 ] - [ 0.0079864400000000, 0.0327562300000000, 0.0000000000000000 ] - [ 0.0079099700000000, 0.0288842000000000, 0.0000000000000000 ] - [ 0.0078424800000000, 0.0288945200000000, 0.0001652200000000 ] - [ 0.0079085500000000, 0.0288672700000000, 0.0001027800000000 ] - [ 0.0078424800000000, 0.0288945200000000, -0.0001652200000000 ] - [ 0.0079085500000000, 0.0288672700000000, -0.0001027800000000 ] - [ -0.0080915800000000, 0.0287526400000000, 0.0002100400000000 ] - [ -0.0075979700000000, 0.0286666400000000, 0.0005800700000000 ] - [ -0.0078751800000000, 0.0288810400000000, 0.0000000000000000 ] - [ -0.0078669900000000, 0.0288949000000000, 0.0000000000000000 ] - [ -0.0080915800000000, 0.0287526400000000, -0.0002100400000000 ] - [ -0.0075979700000000, 0.0286666400000000, -0.0005800700000000 ] - [ 0.0059569200000000, -0.0271361700000000, 0.0000000000000000 ] - [ 0.0073899500000000, -0.0281608200000000, 0.0000000000000000 ] - [ 0.0080067200000000, -0.0287831900000000, -0.0002554700000000 ] - [ 0.0078732100000000, -0.0287794400000000, -0.0000737100000000 ] - [ 0.0080067200000000, -0.0287831900000000, 0.0002554700000000 ] - [ 0.0078732100000000, -0.0287794400000000, 0.0000737100000000 ] - [ -0.0080296300000000, -0.0291027300000000, 0.0000000000000000 ] - [ -0.0074210000000000, -0.0296043800000000, 0.0000000000000000 ] - [ -0.0078823000000000, -0.0289149100000000, 0.0000548800000000 ] - [ -0.0078488300000000, -0.0289532600000000, 0.0001852500000000 ] - [ -0.0078823000000000, -0.0289149100000000, -0.0000548800000000 ] - [ -0.0078488300000000, -0.0289532600000000, -0.0001852500000000 ] - [ 0.0081492100000000, 0.0285533800000000, -0.0003900100000000 ] - [ 0.0077801600000000, 0.0286955900000000, -0.0001057900000000 ] - [ 0.0078666200000000, 0.0287450800000000, 0.0000000000000000 ] - [ 0.0079071400000000, 0.0287695500000000, 0.0000000000000000 ] - [ 0.0081492100000000, 0.0285533800000000, 0.0003900100000000 ] - [ 0.0077801600000000, 0.0286955900000000, 0.0001057900000000 ] - [ -0.0072430800000000, 0.0270162900000000, 0.0000000000000000 ] - [ -0.0077860400000000, 0.0287208000000000, 0.0000000000000000 ] - [ -0.0079353400000000, 0.0286825400000000, -0.0000993500000000 ] - [ -0.0078595800000000, 0.0287662000000000, -0.0000812400000000 ] - [ -0.0079353400000000, 0.0286825400000000, 0.0000993500000000 ] - [ -0.0078595800000000, 0.0287662000000000, 0.0000812400000000 ] - [ 0.0077544800000000, -0.0293183400000000, 0.0004190000000000 ] - [ 0.0079306800000000, -0.0289585300000000, 0.0000565100000000 ] - [ 0.0078440300000000, -0.0288967100000000, 0.0000000000000000 ] - [ 0.0079011100000000, -0.0288781700000000, 0.0000000000000000 ] - [ 0.0077544800000000, -0.0293183400000000, -0.0004190000000000 ] - [ 0.0079306800000000, -0.0289585300000000, -0.0000565100000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000965900000000, -0.0001089600000000, 0.0000131000000000 ] - [ -0.0019860700000000, -0.0023095800000000, -0.0020171400000000 ] - [ 0.0000210500000000, -0.0000150100000000, -0.0000140100000000 ] - [ -0.0000169600000000, -0.0000056300000000, -0.0000131400000000 ] - [ 0.0000512000000000, 0.0000194700000000, 0.0000245100000000 ] - [ -0.0000850600000000, -0.0000872800000000, 0.0000905800000000 ] - [ 0.0000512000000000, 0.0000194700000000, -0.0000245100000000 ] - [ -0.0000850600000000, -0.0000872800000000, -0.0000905800000000 ] - [ 0.0000210500000000, -0.0000150100000000, 0.0000140100000000 ] - [ -0.0000169600000000, -0.0000056300000000, 0.0000131400000000 ] - [ 0.0000965900000000, -0.0001089600000000, -0.0000131000000000 ] - [ -0.0019860700000000, -0.0023095800000000, 0.0020171400000000 ] - [ -0.0000498400000000, -0.0000032100000000, 0.0000631700000000 ] - [ 0.0000820000000000, -0.0000414600000000, 0.0000483200000000 ] - [ -0.0000245300000000, -0.0000031900000000, -0.0000099200000000 ] - [ 0.0000212900000000, 0.0000022800000000, -0.0000175700000000 ] - [ -0.0002566200000000, -0.0002105700000000, -0.0001882600000000 ] - [ 0.0001120900000000, 0.0000054700000000, -0.0000077500000000 ] - [ -0.0002566200000000, -0.0002105700000000, 0.0001882600000000 ] - [ 0.0001120900000000, 0.0000054700000000, 0.0000077500000000 ] - [ -0.0000245300000000, -0.0000031900000000, 0.0000099200000000 ] - [ 0.0000212900000000, 0.0000022800000000, 0.0000175700000000 ] - [ -0.0000498400000000, -0.0000032100000000, -0.0000631700000000 ] - [ 0.0000820000000000, -0.0000414600000000, -0.0000483200000000 ] - [ 0.0030226200000000, -0.0028676200000000, -0.0026820900000000 ] - [ -0.0001141800000000, -0.0002493700000000, -0.0000123600000000 ] - [ -0.0000580500000000, -0.0000561900000000, -0.0000696500000000 ] - [ 0.0000217800000000, -0.0000133600000000, -0.0000425800000000 ] - [ -0.0000582800000000, -0.0003264500000000, 0.0001999100000000 ] - [ 0.0000323200000000, 0.0000028300000000, 0.0000902500000000 ] - [ -0.0000582800000000, -0.0003264500000000, -0.0001999100000000 ] - [ 0.0000323200000000, 0.0000028300000000, -0.0000902500000000 ] - [ -0.0000580500000000, -0.0000561900000000, 0.0000696500000000 ] - [ 0.0000217800000000, -0.0000133600000000, 0.0000425800000000 ] - [ 0.0030226200000000, -0.0028676200000000, 0.0026820900000000 ] - [ -0.0001141800000000, -0.0002493700000000, 0.0000123600000000 ] - [ -0.0000291100000000, -0.0001008600000000, 0.0001569500000000 ] - [ -0.0001794600000000, -0.0000437800000000, 0.0002778700000000 ] - [ 0.0000262300000000, -0.0000141000000000, -0.0000396800000000 ] - [ -0.0000051500000000, 0.0000138800000000, -0.0000663900000000 ] - [ -0.0000300800000000, -0.0000308600000000, 0.0000388500000000 ] - [ 0.0005944000000000, -0.0009288800000000, -0.0009132600000000 ] - [ -0.0000300800000000, -0.0000308600000000, -0.0000388500000000 ] - [ 0.0005944000000000, -0.0009288800000000, 0.0009132600000000 ] - [ 0.0000262300000000, -0.0000141000000000, 0.0000396800000000 ] - [ -0.0000051500000000, 0.0000138800000000, 0.0000663900000000 ] - [ -0.0000291100000000, -0.0001008600000000, -0.0001569500000000 ] - [ -0.0001794600000000, -0.0000437800000000, -0.0002778700000000 ] - [ -0.0023033300000000, 0.0213057000000000, 0.0000000000000000 ] - [ 0.0010613400000000, 0.0018366000000000, 0.0000000000000000 ] - [ 0.0009168500000000, 0.0018593100000000, -0.0000751000000000 ] - [ 0.0009750500000000, 0.0018169100000000, -0.0000073600000000 ] - [ 0.0009168500000000, 0.0018593100000000, 0.0000751000000000 ] - [ 0.0009750500000000, 0.0018169100000000, 0.0000073600000000 ] - [ -0.0008323600000000, -0.0021846300000000, 0.0000000000000000 ] - [ 0.0026680600000000, -0.0021850900000000, 0.0000000000000000 ] - [ 0.0009681100000000, -0.0016345300000000, 0.0000161800000000 ] - [ 0.0009637300000000, -0.0016345300000000, 0.0000621400000000 ] - [ 0.0009681100000000, -0.0016345300000000, -0.0000161800000000 ] - [ 0.0009637300000000, -0.0016345300000000, -0.0000621400000000 ] - [ -0.0010869500000000, -0.0023482700000000, 0.0020067000000000 ] - [ -0.0009138300000000, -0.0016182600000000, -0.0000132900000000 ] - [ -0.0009777300000000, -0.0016552700000000, 0.0000000000000000 ] - [ -0.0009507400000000, -0.0016758900000000, 0.0000000000000000 ] - [ -0.0010869500000000, -0.0023482700000000, -0.0020067000000000 ] - [ -0.0009138300000000, -0.0016182600000000, 0.0000132900000000 ] - [ -0.0010094600000000, 0.0019913100000000, 0.0000230100000000 ] - [ -0.0008801300000000, 0.0021152100000000, 0.0000775600000000 ] - [ -0.0009522900000000, 0.0018081700000000, 0.0000000000000000 ] - [ -0.0009550000000000, 0.0018044400000000, 0.0000000000000000 ] - [ -0.0010094600000000, 0.0019913100000000, -0.0000230100000000 ] - [ -0.0008801300000000, 0.0021152100000000, -0.0000775600000000 ] - [ 0.0009627500000000, 0.0015760800000000, -0.0000125900000000 ] - [ 0.0009984700000000, 0.0015760900000000, 0.0000566600000000 ] - [ 0.0009613400000000, 0.0016755500000000, 0.0000000000000000 ] - [ 0.0009755100000000, 0.0016755800000000, 0.0000000000000000 ] - [ 0.0009627500000000, 0.0015760800000000, 0.0000125900000000 ] - [ 0.0009984700000000, 0.0015760900000000, -0.0000566600000000 ] - [ 0.0008761500000000, -0.0019523700000000, -0.0002603400000000 ] - [ 0.0009988400000000, -0.0018325300000000, 0.0000152400000000 ] - [ 0.0009339500000000, -0.0018088100000000, 0.0000000000000000 ] - [ 0.0009609300000000, -0.0017957200000000, 0.0000000000000000 ] - [ 0.0008761500000000, -0.0019523700000000, 0.0002603400000000 ] - [ 0.0009988400000000, -0.0018325300000000, -0.0000152400000000 ] - [ -0.0007021100000000, -0.0018805800000000, 0.0000000000000000 ] - [ -0.0011345700000000, -0.0019425700000000, 0.0000000000000000 ] - [ -0.0009585700000000, -0.0018192000000000, -0.0000421700000000 ] - [ -0.0009476000000000, -0.0018258900000000, -0.0000123600000000 ] - [ -0.0009585700000000, -0.0018192000000000, 0.0000421700000000 ] - [ -0.0009476000000000, -0.0018258900000000, 0.0000123600000000 ] - [ -0.0010964400000000, 0.0012870800000000, 0.0000000000000000 ] - [ -0.0008974600000000, 0.0016712400000000, 0.0000000000000000 ] - [ -0.0009982000000000, 0.0016461900000000, 0.0000378100000000 ] - [ -0.0009449000000000, 0.0016638400000000, 0.0000105200000000 ] - [ -0.0009982000000000, 0.0016461900000000, -0.0000378100000000 ] - [ -0.0009449000000000, 0.0016638400000000, -0.0000105200000000 ] - [ -0.0077073300000000, -0.0297449500000000, -0.0006340200000000 ] - [ -0.0079404900000000, -0.0288428400000000, 0.0001499700000000 ] - [ -0.0078484300000000, -0.0288659700000000, 0.0000000000000000 ] - [ -0.0079052300000000, -0.0288551700000000, 0.0000000000000000 ] - [ -0.0077073300000000, -0.0297449500000000, 0.0006340200000000 ] - [ -0.0079404900000000, -0.0288428400000000, -0.0001499700000000 ] - [ 0.0078128800000000, 0.0246726800000000, 0.0000000000000000 ] - [ 0.0078640500000000, 0.0287724600000000, 0.0000000000000000 ] - [ 0.0079300200000000, 0.0287631600000000, -0.0001663300000000 ] - [ 0.0078644900000000, 0.0287893300000000, -0.0001033700000000 ] - [ 0.0079300200000000, 0.0287631600000000, 0.0001663300000000 ] - [ 0.0078644900000000, 0.0287893300000000, 0.0001033700000000 ] - [ -0.0076777500000000, 0.0289096400000000, -0.0002115500000000 ] - [ -0.0081774300000000, 0.0289922300000000, -0.0005836600000000 ] - [ -0.0078994800000000, 0.0287747800000000, 0.0000000000000000 ] - [ -0.0079035300000000, 0.0287667400000000, 0.0000000000000000 ] - [ -0.0076777500000000, 0.0289096400000000, 0.0002115500000000 ] - [ -0.0081774300000000, 0.0289922300000000, 0.0005836600000000 ] - [ 0.0097974700000000, -0.0305256300000000, 0.0000000000000000 ] - [ 0.0083894600000000, -0.0294867000000000, 0.0000000000000000 ] - [ 0.0077652900000000, -0.0288742900000000, 0.0002569000000000 ] - [ 0.0078997800000000, -0.0288782500000000, 0.0000739500000000 ] - [ 0.0077652900000000, -0.0288742900000000, -0.0002569000000000 ] - [ 0.0078997800000000, -0.0288782500000000, -0.0000739500000000 ] - [ -0.0077422400000000, -0.0285542200000000, 0.0000000000000000 ] - [ -0.0083465100000000, -0.0280530200000000, 0.0000000000000000 ] - [ -0.0078898000000000, -0.0287444800000000, -0.0000551500000000 ] - [ -0.0079235200000000, -0.0287031800000000, -0.0001859000000000 ] - [ -0.0078898000000000, -0.0287444800000000, 0.0000551500000000 ] - [ -0.0079235200000000, -0.0287031800000000, 0.0001859000000000 ] - [ 0.0076258600000000, 0.0291054100000000, 0.0003886200000000 ] - [ 0.0079925700000000, 0.0289618400000000, 0.0001063300000000 ] - [ 0.0079047500000000, 0.0289147100000000, 0.0000000000000000 ] - [ 0.0078644900000000, 0.0288887700000000, 0.0000000000000000 ] - [ 0.0076258600000000, 0.0291054100000000, -0.0003886200000000 ] - [ 0.0079925700000000, 0.0289618400000000, -0.0001063300000000 ] - [ -0.0085299600000000, 0.0306551500000000, 0.0000000000000000 ] - [ -0.0079874500000000, 0.0289383500000000, 0.0000000000000000 ] - [ -0.0078354300000000, 0.0289791100000000, 0.0001010500000000 ] - [ -0.0079111100000000, 0.0288951900000000, 0.0000812000000000 ] - [ -0.0078354300000000, 0.0289791100000000, -0.0001010500000000 ] - [ -0.0079111100000000, 0.0288951900000000, -0.0000812000000000 ] - [ 0.0080189600000000, -0.0283382200000000, -0.0004184100000000 ] - [ 0.0078423900000000, -0.0286962800000000, -0.0000562000000000 ] - [ 0.0079296300000000, -0.0287592800000000, 0.0000000000000000 ] - [ 0.0078709700000000, -0.0287800700000000, 0.0000000000000000 ] - [ 0.0080189600000000, -0.0283382200000000, 0.0004184100000000 ] - [ 0.0078423900000000, -0.0286962800000000, 0.0000562000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000440600000000, -0.0000725100000000, -0.0000593900000000 ] - [ 0.0013003900000000, 0.0020735800000000, 0.0002085000000000 ] - [ -0.0000366400000000, 0.0000385900000000, 0.0000582400000000 ] - [ 0.0000330300000000, -0.0000199700000000, 0.0000834000000000 ] - [ 0.0000810600000000, 0.0000390300000000, 0.0000184900000000 ] - [ -0.0002871400000000, -0.0001538500000000, 0.0002247300000000 ] - [ -0.0000809400000000, -0.0000394600000000, 0.0000191100000000 ] - [ 0.0002858100000000, 0.0001550500000000, 0.0002267400000000 ] - [ 0.0000370800000000, -0.0000388800000000, 0.0000580800000000 ] - [ -0.0000337200000000, 0.0000204800000000, 0.0000835000000000 ] - [ 0.0000437700000000, 0.0000729000000000, -0.0000594800000000 ] - [ -0.0012951500000000, -0.0020660400000000, 0.0002179100000000 ] - [ -0.0000057200000000, -0.0000471600000000, 0.0000247000000000 ] - [ 0.0000316300000000, 0.0000035200000000, 0.0000440600000000 ] - [ 0.0000118900000000, 0.0000056100000000, 0.0000402900000000 ] - [ -0.0000022800000000, -0.0000022300000000, 0.0000331500000000 ] - [ -0.0000201500000000, 0.0000641400000000, -0.0000582300000000 ] - [ -0.0000208400000000, -0.0000010700000000, -0.0000767200000000 ] - [ 0.0000210000000000, -0.0000640300000000, -0.0000596200000000 ] - [ 0.0000206300000000, 0.0000007200000000, -0.0000774600000000 ] - [ -0.0000118800000000, -0.0000058200000000, 0.0000404100000000 ] - [ 0.0000023800000000, 0.0000021300000000, 0.0000329200000000 ] - [ 0.0000056800000000, 0.0000466600000000, 0.0000245800000000 ] - [ -0.0000315400000000, -0.0000034200000000, 0.0000436200000000 ] - [ -0.0023771500000000, 0.0028673200000000, -0.0006897200000000 ] - [ 0.0000237400000000, -0.0002117400000000, -0.0002779000000000 ] - [ 0.0000212300000000, -0.0000278700000000, 0.0003585300000000 ] - [ 0.0000214200000000, 0.0000493900000000, 0.0002100100000000 ] - [ 0.0007458900000000, -0.0006795200000000, 0.0010188800000000 ] - [ -0.0000816800000000, 0.0000563500000000, 0.0000071000000000 ] - [ -0.0007338000000000, 0.0006738900000000, 0.0010245200000000 ] - [ 0.0000817400000000, -0.0000562000000000, 0.0000074500000000 ] - [ -0.0000211500000000, 0.0000290600000000, 0.0003598100000000 ] - [ -0.0000212800000000, -0.0000491100000000, 0.0002095400000000 ] - [ 0.0023659700000000, -0.0028528300000000, -0.0006807000000000 ] - [ -0.0000245000000000, 0.0002105700000000, -0.0002748900000000 ] - [ -0.0000417500000000, -0.0000464300000000, 0.0001468900000000 ] - [ -0.0001328800000000, -0.0001260800000000, 0.0000765400000000 ] - [ 0.0000046800000000, -0.0000053100000000, 0.0001252800000000 ] - [ -0.0000619700000000, 0.0000388000000000, 0.0001886200000000 ] - [ 0.0000119700000000, 0.0000236900000000, -0.0002506300000000 ] - [ 0.0002768300000000, 0.0000938800000000, -0.0003157900000000 ] - [ -0.0000115000000000, -0.0000240900000000, -0.0002523100000000 ] - [ -0.0002807600000000, -0.0000932200000000, -0.0003225300000000 ] - [ -0.0000045900000000, 0.0000055900000000, 0.0001255600000000 ] - [ 0.0000622200000000, -0.0000396300000000, 0.0001889400000000 ] - [ 0.0000416100000000, 0.0000464100000000, 0.0001459400000000 ] - [ 0.0001322100000000, 0.0001249400000000, 0.0000760800000000 ] - [ 0.0009760200000000, 0.0016603300000000, -0.0142604400000000 ] - [ 0.0009574800000000, 0.0017367500000000, 0.0000192100000000 ] - [ 0.0010030100000000, 0.0016627000000000, 0.0003435200000000 ] - [ 0.0009276900000000, 0.0017296800000000, 0.0000114800000000 ] - [ 0.0009116400000000, 0.0018126000000000, 0.0003426500000000 ] - [ 0.0009883300000000, 0.0017442100000000, 0.0000113900000000 ] - [ 0.0009615200000000, -0.0017352200000000, -0.0005914400000000 ] - [ 0.0009539000000000, -0.0017347200000000, -0.0005914500000000 ] - [ 0.0009186100000000, -0.0017987700000000, 0.0000628600000000 ] - [ 0.0009878300000000, -0.0017531000000000, 0.0000627300000000 ] - [ 0.0009968000000000, -0.0016751000000000, 0.0000624600000000 ] - [ 0.0009280300000000, -0.0017209100000000, 0.0000625700000000 ] - [ -0.0010211900000000, -0.0037475700000000, 0.0019856800000000 ] - [ -0.0009525900000000, -0.0017236400000000, -0.0000227700000000 ] - [ -0.0009579000000000, -0.0017369200000000, 0.0000810500000000 ] - [ -0.0009574900000000, -0.0017367600000000, 0.0000436900000000 ] - [ -0.0008952900000000, 0.0002526100000000, 0.0019708100000000 ] - [ -0.0009629900000000, -0.0017503400000000, -0.0000226900000000 ] - [ -0.0016179600000000, 0.0017609800000000, 0.0002170400000000 ] - [ 0.0000000100000000, 0.0018153100000000, 0.0005201400000000 ] - [ -0.0009577700000000, 0.0017370400000000, 0.0001255800000000 ] - [ -0.0009578600000000, 0.0017370500000000, 0.0000633500000000 ] - [ -0.0003021300000000, 0.0017135100000000, 0.0002138700000000 ] - [ -0.0019067500000000, 0.0016590000000000, 0.0005168200000000 ] - [ 0.0009765500000000, 0.0017938900000000, -0.0000253400000000 ] - [ 0.0009303200000000, 0.0017240600000000, -0.0000254100000000 ] - [ 0.0009579200000000, 0.0017367300000000, 0.0000525800000000 ] - [ 0.0009577800000000, 0.0017367900000000, 0.0000525200000000 ] - [ 0.0009393300000000, 0.0016799900000000, -0.0000251300000000 ] - [ 0.0009850900000000, 0.0017495800000000, -0.0000249900000000 ] - [ 0.0010027200000000, -0.0014757100000000, -0.0000672100000000 ] - [ 0.0008851500000000, -0.0017525700000000, -0.0000256200000000 ] - [ 0.0009575800000000, -0.0017370400000000, 0.0001147900000000 ] - [ 0.0009579500000000, -0.0017369900000000, 0.0000460000000000 ] - [ 0.0009129200000000, -0.0019972200000000, -0.0000683900000000 ] - [ 0.0010302000000000, -0.0017215600000000, -0.0000253500000000 ] - [ -0.0009580400000000, -0.0017367800000000, -0.0001670700000000 ] - [ -0.0009574800000000, -0.0017371400000000, -0.0000712900000000 ] - [ -0.0009932400000000, -0.0016950800000000, 0.0000963700000000 ] - [ -0.0009218600000000, -0.0017246000000000, 0.0000311500000000 ] - [ -0.0009214700000000, -0.0017793800000000, 0.0000957900000000 ] - [ -0.0009942000000000, -0.0017493900000000, 0.0000310600000000 ] - [ -0.0009577000000000, 0.0017378100000000, -0.0000010700000000 ] - [ -0.0009578300000000, 0.0017369300000000, -0.0000770600000000 ] - [ -0.0009480600000000, 0.0017743800000000, 0.0000180400000000 ] - [ -0.0009607700000000, 0.0017473700000000, 0.0000398400000000 ] - [ -0.0009675600000000, 0.0016987200000000, 0.0000177900000000 ] - [ -0.0009548500000000, 0.0017264500000000, 0.0000396700000000 ] - [ -0.0077404500000000, -0.0286893000000000, 0.0026452100000000 ] - [ -0.0078629000000000, -0.0288099900000000, 0.0001812400000000 ] - [ -0.0078859000000000, -0.0288303200000000, -0.0003104500000000 ] - [ -0.0078879200000000, -0.0288272200000000, -0.0002350600000000 ] - [ -0.0080722300000000, -0.0288943700000000, 0.0024910600000000 ] - [ -0.0079131100000000, -0.0288435700000000, 0.0001808700000000 ] - [ 0.0078881500000000, 0.0288309000000000, 0.0010307900000000 ] - [ 0.0078858400000000, 0.0288303100000000, 0.0001693100000000 ] - [ 0.0078085500000000, 0.0290005200000000, -0.0002217400000000 ] - [ 0.0079010500000000, 0.0288415000000000, -0.0000936900000000 ] - [ 0.0079654200000000, 0.0286551700000000, -0.0002205200000000 ] - [ 0.0078752400000000, 0.0288114700000000, -0.0000935500000000 ] - [ -0.0076961900000000, 0.0290529200000000, -0.0000039400000000 ] - [ -0.0079799300000000, 0.0292442500000000, -0.0000315500000000 ] - [ -0.0078867500000000, 0.0288280600000000, -0.0001337100000000 ] - [ -0.0078880200000000, 0.0288274400000000, -0.0001500800000000 ] - [ -0.0080773100000000, 0.0286039100000000, -0.0000041500000000 ] - [ -0.0077920800000000, 0.0284176800000000, -0.0000326200000000 ] - [ 0.0079047900000000, -0.0288327000000000, 0.0011866600000000 ] - [ 0.0078863500000000, -0.0288295900000000, 0.0012523200000000 ] - [ 0.0081777100000000, -0.0288476100000000, -0.0005045600000000 ] - [ 0.0077241900000000, -0.0289034700000000, -0.0001895900000000 ] - [ 0.0075929300000000, -0.0288117400000000, -0.0005056000000000 ] - [ 0.0080465900000000, -0.0287578100000000, -0.0001882500000000 ] - [ -0.0078884500000000, -0.0288264300000000, 0.0001886700000000 ] - [ -0.0078860300000000, -0.0288282500000000, 0.0001403900000000 ] - [ -0.0078624300000000, -0.0288499500000000, -0.0001038100000000 ] - [ -0.0078935400000000, -0.0287875300000000, -0.0001104100000000 ] - [ -0.0079127300000000, -0.0288059600000000, -0.0001035400000000 ] - [ -0.0078815700000000, -0.0288671200000000, -0.0001105700000000 ] - [ 0.0085322200000000, 0.0282217700000000, 0.0002707800000000 ] - [ 0.0076328700000000, 0.0287791300000000, 0.0001077800000000 ] - [ 0.0078872100000000, 0.0288273400000000, -0.0003720300000000 ] - [ 0.0078869600000000, 0.0288280400000000, -0.0001725400000000 ] - [ 0.0072442800000000, 0.0294323000000000, 0.0002725300000000 ] - [ 0.0081393700000000, 0.0288782300000000, 0.0001074700000000 ] - [ -0.0078877600000000, 0.0288264700000000, 0.0010708800000000 ] - [ -0.0078857900000000, 0.0288293400000000, 0.0001721600000000 ] - [ -0.0078682700000000, 0.0285152900000000, -0.0005471400000000 ] - [ -0.0078537800000000, 0.0288300200000000, -0.0001033900000000 ] - [ -0.0079032300000000, 0.0291479900000000, -0.0005507900000000 ] - [ -0.0079211300000000, 0.0288250500000000, -0.0001026500000000 ] - [ 0.0079038700000000, -0.0288517100000000, 0.0001842200000000 ] - [ 0.0079210900000000, -0.0288185500000000, 0.0000629100000000 ] - [ 0.0078882900000000, -0.0288268300000000, -0.0002105600000000 ] - [ 0.0078870800000000, -0.0288277000000000, -0.0001100600000000 ] - [ 0.0078710600000000, -0.0288044800000000, 0.0001823000000000 ] - [ 0.0078542400000000, -0.0288366200000000, 0.0000624500000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007301500000000, -0.0001864000000000, -0.0002261900000000 ] - [ 0.0050587600000000, 0.0031128600000000, -0.0031781800000000 ] - [ -0.0004316500000000, 0.0002980400000000, 0.0000858500000000 ] - [ 0.0001566900000000, -0.0001719900000000, -0.0002202900000000 ] - [ -0.0000999300000000, -0.0000300000000000, -0.0000442300000000 ] - [ 0.0000632400000000, 0.0000281600000000, 0.0000136200000000 ] - [ -0.0007301500000000, -0.0001864000000000, 0.0002261900000000 ] - [ 0.0050587600000000, 0.0031128600000000, 0.0031781800000000 ] - [ -0.0000999300000000, -0.0000300000000000, 0.0000442300000000 ] - [ 0.0000632400000000, 0.0000281600000000, -0.0000136200000000 ] - [ -0.0004316500000000, 0.0002980400000000, -0.0000858500000000 ] - [ 0.0001566900000000, -0.0001719900000000, 0.0002202900000000 ] - [ 0.0002014100000000, 0.0000575300000000, 0.0000250700000000 ] - [ -0.0001644600000000, 0.0000148100000000, -0.0000339500000000 ] - [ 0.0000517200000000, -0.0000087300000000, -0.0000007600000000 ] - [ -0.0000385400000000, 0.0000065500000000, -0.0000013800000000 ] - [ 0.0001274700000000, 0.0000112300000000, 0.0000228500000000 ] - [ -0.0000676000000000, -0.0000160100000000, 0.0000140400000000 ] - [ 0.0002014100000000, 0.0000575300000000, -0.0000250700000000 ] - [ -0.0001644600000000, 0.0000148100000000, 0.0000339500000000 ] - [ 0.0001274700000000, 0.0000112300000000, -0.0000228500000000 ] - [ -0.0000676000000000, -0.0000160100000000, -0.0000140400000000 ] - [ 0.0000517200000000, -0.0000087300000000, 0.0000007600000000 ] - [ -0.0000385400000000, 0.0000065500000000, 0.0000013800000000 ] - [ 0.0155167300000000, -0.0098990200000000, 0.0092709300000000 ] - [ -0.0008024500000000, 0.0005406300000000, 0.0004130800000000 ] - [ 0.0012066200000000, 0.0010814100000000, 0.0004859700000000 ] - [ -0.0002751600000000, -0.0006756000000000, -0.0006251400000000 ] - [ 0.0000651600000000, -0.0001460900000000, -0.0000911900000000 ] - [ 0.0000720500000000, 0.0000790200000000, 0.0000167600000000 ] - [ 0.0155167300000000, -0.0098990200000000, -0.0092709300000000 ] - [ -0.0008024500000000, 0.0005406300000000, -0.0004130800000000 ] - [ 0.0000651600000000, -0.0001460900000000, 0.0000911900000000 ] - [ 0.0000720500000000, 0.0000790200000000, -0.0000167600000000 ] - [ 0.0012066200000000, 0.0010814100000000, -0.0004859700000000 ] - [ -0.0002751600000000, -0.0006756000000000, 0.0006251400000000 ] - [ -0.0001659400000000, 0.0000206900000000, 0.0001913100000000 ] - [ 0.0001423300000000, 0.0001731800000000, -0.0001235800000000 ] - [ -0.0000759700000000, -0.0000094000000000, 0.0000304800000000 ] - [ 0.0000328700000000, -0.0000221800000000, -0.0000437000000000 ] - [ -0.0001300100000000, 0.0000406100000000, -0.0000599300000000 ] - [ -0.0001370400000000, 0.0000275500000000, 0.0002360100000000 ] - [ -0.0001659400000000, 0.0000206900000000, -0.0001913100000000 ] - [ 0.0001423300000000, 0.0001731800000000, 0.0001235800000000 ] - [ -0.0001300100000000, 0.0000406100000000, 0.0000599300000000 ] - [ -0.0001370400000000, 0.0000275500000000, -0.0002360100000000 ] - [ -0.0000759700000000, -0.0000094000000000, -0.0000304800000000 ] - [ 0.0000328700000000, -0.0000221800000000, 0.0000437000000000 ] - [ 0.0017205700000000, 0.0015511400000000, 0.0001670700000000 ] - [ 0.0005725400000000, 0.0017889900000000, 0.0000241700000000 ] - [ 0.0017205700000000, 0.0015511400000000, -0.0001670700000000 ] - [ 0.0005725400000000, 0.0017889900000000, -0.0000241700000000 ] - [ 0.0009681300000000, 0.0016997900000000, 0.0000000000000000 ] - [ 0.0009488600000000, 0.0017548100000000, 0.0000000000000000 ] - [ 0.0010086300000000, -0.0020267600000000, -0.0000944600000000 ] - [ 0.0007846000000000, -0.0015283300000000, 0.0001931200000000 ] - [ 0.0010086300000000, -0.0020267600000000, 0.0000944600000000 ] - [ 0.0007846000000000, -0.0015283300000000, -0.0001931200000000 ] - [ 0.0009655300000000, -0.0017549800000000, 0.0000000000000000 ] - [ 0.0009542700000000, -0.0017492300000000, 0.0000000000000000 ] - [ -0.0004200200000000, -0.0016405200000000, 0.0000000000000000 ] - [ -0.0012484100000000, -0.0017128500000000, 0.0000000000000000 ] - [ -0.0008850500000000, -0.0017804800000000, -0.0000783600000000 ] - [ -0.0010234700000000, -0.0017147700000000, 0.0000132700000000 ] - [ -0.0008850500000000, -0.0017804800000000, 0.0000783600000000 ] - [ -0.0010234700000000, -0.0017147700000000, -0.0000132700000000 ] - [ 0.0059882500000000, 0.0036041400000000, 0.0000000000000000 ] - [ -0.0020014400000000, 0.0022269400000000, 0.0000000000000000 ] - [ -0.0009874600000000, 0.0016151800000000, 0.0002914200000000 ] - [ -0.0009106000000000, 0.0017496400000000, -0.0001621100000000 ] - [ -0.0009874600000000, 0.0016151800000000, -0.0002914200000000 ] - [ -0.0009106000000000, 0.0017496400000000, 0.0001621100000000 ] - [ 0.0010217300000000, 0.0022001900000000, 0.0000000000000000 ] - [ 0.0009767400000000, 0.0015927800000000, 0.0000000000000000 ] - [ 0.0009720900000000, 0.0017741200000000, 0.0000062700000000 ] - [ 0.0009429500000000, 0.0017409300000000, -0.0000246800000000 ] - [ 0.0009720900000000, 0.0017741200000000, -0.0000062700000000 ] - [ 0.0009429500000000, 0.0017409300000000, 0.0000246800000000 ] - [ 0.0018945500000000, -0.0023773100000000, 0.0000000000000000 ] - [ 0.0002333200000000, -0.0018376100000000, 0.0000000000000000 ] - [ 0.0010219000000000, -0.0016866500000000, -0.0000170800000000 ] - [ 0.0008868500000000, -0.0017628900000000, -0.0000342100000000 ] - [ 0.0010219000000000, -0.0016866500000000, 0.0000170800000000 ] - [ 0.0008868500000000, -0.0017628900000000, 0.0000342100000000 ] - [ -0.0010096200000000, -0.0014747100000000, -0.0006430400000000 ] - [ -0.0008566500000000, -0.0018432900000000, 0.0002532600000000 ] - [ -0.0010096200000000, -0.0014747100000000, 0.0006430400000000 ] - [ -0.0008566500000000, -0.0018432900000000, -0.0002532600000000 ] - [ -0.0010063900000000, -0.0017559900000000, 0.0000000000000000 ] - [ -0.0009250000000000, -0.0017154500000000, 0.0000000000000000 ] - [ -0.0008553300000000, 0.0018697000000000, -0.0000168500000000 ] - [ -0.0010908100000000, 0.0016918200000000, -0.0000326100000000 ] - [ -0.0008553300000000, 0.0018697000000000, 0.0000168500000000 ] - [ -0.0010908100000000, 0.0016918200000000, 0.0000326100000000 ] - [ -0.0009099700000000, 0.0017800200000000, 0.0000000000000000 ] - [ -0.0009921000000000, 0.0017203700000000, 0.0000000000000000 ] - [ -0.0639539700000000, -0.0135739200000000, 0.0000000000000000 ] - [ -0.0066387000000000, -0.0291135100000000, 0.0000000000000000 ] - [ -0.0083066100000000, -0.0286367200000000, -0.0000290600000000 ] - [ -0.0074876800000000, -0.0289486900000000, 0.0002005700000000 ] - [ -0.0083066100000000, -0.0286367200000000, 0.0000290600000000 ] - [ -0.0074876800000000, -0.0289486900000000, -0.0002005700000000 ] - [ 0.0078452200000000, 0.0284810100000000, -0.0003288400000000 ] - [ 0.0080821400000000, 0.0287939700000000, 0.0000271700000000 ] - [ 0.0078452200000000, 0.0284810100000000, 0.0003288400000000 ] - [ 0.0080821400000000, 0.0287939700000000, -0.0000271700000000 ] - [ 0.0078296000000000, 0.0288904700000000, 0.0000000000000000 ] - [ 0.0079558500000000, 0.0287998900000000, 0.0000000000000000 ] - [ -0.0077597900000000, 0.0292753900000000, 0.0000000000000000 ] - [ -0.0077591300000000, 0.0280209700000000, 0.0000000000000000 ] - [ -0.0078657400000000, 0.0288924400000000, -0.0000811600000000 ] - [ -0.0078649300000000, 0.0288217400000000, 0.0001056200000000 ] - [ -0.0078657400000000, 0.0288924400000000, 0.0000811600000000 ] - [ -0.0078649300000000, 0.0288217400000000, -0.0001056200000000 ] - [ 0.0087006300000000, -0.0290652700000000, 0.0034464000000000 ] - [ 0.0088566100000000, -0.0283061700000000, -0.0012137900000000 ] - [ 0.0087006300000000, -0.0290652700000000, -0.0034464000000000 ] - [ 0.0088566100000000, -0.0283061700000000, 0.0012137900000000 ] - [ 0.0079367800000000, -0.0288763700000000, 0.0000000000000000 ] - [ 0.0078472100000000, -0.0288640300000000, 0.0000000000000000 ] - [ -0.0078290200000000, -0.0289732100000000, 0.0002312100000000 ] - [ -0.0078284800000000, -0.0288845600000000, -0.0001660600000000 ] - [ -0.0078290200000000, -0.0289732100000000, -0.0002312100000000 ] - [ -0.0078284800000000, -0.0288845600000000, 0.0001660600000000 ] - [ -0.0078662800000000, -0.0288516700000000, 0.0000000000000000 ] - [ -0.0078663700000000, -0.0288341600000000, 0.0000000000000000 ] - [ 0.0115657400000000, 0.0228745600000000, 0.0000000000000000 ] - [ 0.0106126800000000, 0.0299936500000000, 0.0000000000000000 ] - [ 0.0077419400000000, 0.0283714000000000, -0.0003370900000000 ] - [ 0.0078315000000000, 0.0289122300000000, 0.0001567600000000 ] - [ 0.0077419400000000, 0.0283714000000000, 0.0003370900000000 ] - [ 0.0078315000000000, 0.0289122300000000, -0.0001567600000000 ] - [ -0.0095091500000000, 0.0290426700000000, -0.0001985300000000 ] - [ -0.0072585600000000, 0.0291538300000000, -0.0001740900000000 ] - [ -0.0095091500000000, 0.0290426700000000, 0.0001985300000000 ] - [ -0.0072585600000000, 0.0291538300000000, 0.0001740900000000 ] - [ -0.0080063200000000, 0.0288657300000000, 0.0000000000000000 ] - [ -0.0078616600000000, 0.0288949500000000, 0.0000000000000000 ] - [ 0.0075587800000000, -0.0290847600000000, 0.0000000000000000 ] - [ 0.0083910600000000, -0.0289184200000000, 0.0000000000000000 ] - [ 0.0078080900000000, -0.0289230600000000, 0.0001398200000000 ] - [ 0.0079999900000000, -0.0287890000000000, -0.0000187600000000 ] - [ 0.0078080900000000, -0.0289230600000000, -0.0001398200000000 ] - [ 0.0079999900000000, -0.0287890000000000, 0.0000187600000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007299700000000, 0.0001859000000000, 0.0002276400000000 ] - [ -0.0049428600000000, -0.0030052100000000, 0.0030445700000000 ] - [ 0.0004319300000000, -0.0002971400000000, -0.0000844100000000 ] - [ -0.0001516400000000, 0.0001692200000000, 0.0002202000000000 ] - [ 0.0001014800000000, 0.0000292500000000, 0.0000438600000000 ] - [ -0.0000602400000000, -0.0000284400000000, -0.0000136000000000 ] - [ 0.0007299700000000, 0.0001859000000000, -0.0002276400000000 ] - [ -0.0049428600000000, -0.0030052100000000, -0.0030445700000000 ] - [ 0.0001014800000000, 0.0000292500000000, -0.0000438600000000 ] - [ -0.0000602400000000, -0.0000284400000000, 0.0000136000000000 ] - [ 0.0004319300000000, -0.0002971400000000, 0.0000844100000000 ] - [ -0.0001516400000000, 0.0001692200000000, -0.0002202000000000 ] - [ -0.0001984700000000, -0.0000578300000000, -0.0000256400000000 ] - [ 0.0001659900000000, -0.0000149600000000, 0.0000330100000000 ] - [ -0.0000491900000000, 0.0000084600000000, 0.0000007100000000 ] - [ 0.0000407900000000, -0.0000068700000000, 0.0000014100000000 ] - [ -0.0001246000000000, -0.0000113700000000, -0.0000223500000000 ] - [ 0.0000697900000000, 0.0000156300000000, -0.0000137700000000 ] - [ -0.0001984700000000, -0.0000578300000000, 0.0000256400000000 ] - [ 0.0001659900000000, -0.0000149600000000, -0.0000330100000000 ] - [ -0.0001246000000000, -0.0000113700000000, 0.0000223500000000 ] - [ 0.0000697900000000, 0.0000156300000000, 0.0000137700000000 ] - [ -0.0000491900000000, 0.0000084600000000, -0.0000007100000000 ] - [ 0.0000407900000000, -0.0000068700000000, -0.0000014100000000 ] - [ -0.0156606200000000, 0.0102006100000000, -0.0095955200000000 ] - [ 0.0008026700000000, -0.0005426100000000, -0.0004124000000000 ] - [ -0.0012037500000000, -0.0010861900000000, -0.0004787000000000 ] - [ 0.0002761900000000, 0.0006720400000000, 0.0006216600000000 ] - [ -0.0000613100000000, 0.0001442900000000, 0.0000900900000000 ] - [ -0.0000694200000000, -0.0000790600000000, -0.0000172400000000 ] - [ -0.0156606200000000, 0.0102006100000000, 0.0095955200000000 ] - [ 0.0008026700000000, -0.0005426100000000, 0.0004124000000000 ] - [ -0.0000613100000000, 0.0001442900000000, -0.0000900900000000 ] - [ -0.0000694200000000, -0.0000790600000000, 0.0000172400000000 ] - [ -0.0012037500000000, -0.0010861900000000, 0.0004787000000000 ] - [ 0.0002761900000000, 0.0006720400000000, -0.0006216600000000 ] - [ 0.0001689600000000, -0.0000210700000000, -0.0001929500000000 ] - [ -0.0001379900000000, -0.0001718700000000, 0.0001209500000000 ] - [ 0.0000781200000000, 0.0000095600000000, -0.0000309200000000 ] - [ -0.0000297000000000, 0.0000220000000000, 0.0000436500000000 ] - [ 0.0001329300000000, -0.0000409800000000, 0.0000609000000000 ] - [ 0.0001382000000000, -0.0000273500000000, -0.0002335200000000 ] - [ 0.0001689600000000, -0.0000210700000000, 0.0001929500000000 ] - [ -0.0001379900000000, -0.0001718700000000, -0.0001209500000000 ] - [ 0.0001329300000000, -0.0000409800000000, -0.0000609000000000 ] - [ 0.0001382000000000, -0.0000273500000000, 0.0002335200000000 ] - [ 0.0000781200000000, 0.0000095600000000, 0.0000309200000000 ] - [ -0.0000297000000000, 0.0000220000000000, -0.0000436500000000 ] - [ 0.0002055200000000, 0.0019169800000000, -0.0001640600000000 ] - [ 0.0013439000000000, 0.0016838900000000, -0.0000234200000000 ] - [ 0.0002055200000000, 0.0019169800000000, 0.0001640600000000 ] - [ 0.0013439000000000, 0.0016838900000000, 0.0000234200000000 ] - [ 0.0009503900000000, 0.0017731300000000, 0.0000000000000000 ] - [ 0.0009691000000000, 0.0017182300000000, 0.0000000000000000 ] - [ 0.0009087300000000, -0.0014493800000000, 0.0000940400000000 ] - [ 0.0011314800000000, -0.0019437500000000, -0.0001899200000000 ] - [ 0.0009087300000000, -0.0014493800000000, -0.0000940400000000 ] - [ 0.0011314800000000, -0.0019437500000000, 0.0001899200000000 ] - [ 0.0009526400000000, -0.0017193700000000, 0.0000000000000000 ] - [ 0.0009640000000000, -0.0017250500000000, 0.0000000000000000 ] - [ -0.0014901000000000, -0.0018158100000000, 0.0000000000000000 ] - [ -0.0006651900000000, -0.0017602700000000, 0.0000000000000000 ] - [ -0.0010277500000000, -0.0016938500000000, 0.0000776100000000 ] - [ -0.0008899900000000, -0.0017594600000000, -0.0000134600000000 ] - [ -0.0010277500000000, -0.0016938500000000, -0.0000776100000000 ] - [ -0.0008899900000000, -0.0017594600000000, 0.0000134600000000 ] - [ -0.0081605800000000, -0.0002377500000000, 0.0000000000000000 ] - [ 0.0001263600000000, 0.0012283700000000, 0.0000000000000000 ] - [ -0.0009259200000000, 0.0018568900000000, -0.0002897700000000 ] - [ -0.0010024400000000, 0.0017236200000000, 0.0001612800000000 ] - [ -0.0009259200000000, 0.0018568900000000, 0.0002897700000000 ] - [ -0.0010024400000000, 0.0017236200000000, -0.0001612800000000 ] - [ 0.0008966800000000, 0.0012762600000000, 0.0000000000000000 ] - [ 0.0009416900000000, 0.0018816700000000, 0.0000000000000000 ] - [ 0.0009457800000000, 0.0017002800000000, -0.0000065900000000 ] - [ 0.0009757200000000, 0.0017333600000000, 0.0000247400000000 ] - [ 0.0009457800000000, 0.0017002800000000, 0.0000065900000000 ] - [ 0.0009757200000000, 0.0017333600000000, -0.0000247400000000 ] - [ 0.0000250400000000, -0.0010911500000000, 0.0000000000000000 ] - [ 0.0016849300000000, -0.0016350100000000, 0.0000000000000000 ] - [ 0.0008976000000000, -0.0017863200000000, 0.0000189300000000 ] - [ 0.0010307500000000, -0.0017107500000000, 0.0000339200000000 ] - [ 0.0008976000000000, -0.0017863200000000, -0.0000189300000000 ] - [ 0.0010307500000000, -0.0017107500000000, -0.0000339200000000 ] - [ -0.0009062800000000, -0.0019968200000000, 0.0006444200000000 ] - [ -0.0010545400000000, -0.0016310700000000, -0.0002523300000000 ] - [ -0.0009062800000000, -0.0019968200000000, -0.0006444200000000 ] - [ -0.0010545400000000, -0.0016310700000000, 0.0002523300000000 ] - [ -0.0009074100000000, -0.0017174700000000, 0.0000000000000000 ] - [ -0.0009880100000000, -0.0017580800000000, 0.0000000000000000 ] - [ -0.0010575200000000, 0.0016064800000000, 0.0000176200000000 ] - [ -0.0008225200000000, 0.0017816500000000, 0.0000333600000000 ] - [ -0.0010575200000000, 0.0016064800000000, -0.0000176200000000 ] - [ -0.0008225200000000, 0.0017816500000000, -0.0000333600000000 ] - [ -0.0010027900000000, 0.0016940600000000, 0.0000000000000000 ] - [ -0.0009213500000000, 0.0017532200000000, 0.0000000000000000 ] - [ 0.0480643000000000, -0.0448102600000000, 0.0000000000000000 ] - [ -0.0091285800000000, -0.0285398700000000, 0.0000000000000000 ] - [ -0.0074654400000000, -0.0290177000000000, 0.0000289000000000 ] - [ -0.0082806100000000, -0.0287083000000000, -0.0001994300000000 ] - [ -0.0074654400000000, -0.0290177000000000, -0.0000289000000000 ] - [ -0.0082806100000000, -0.0287083000000000, 0.0001994300000000 ] - [ 0.0079298700000000, 0.0291716000000000, 0.0003256800000000 ] - [ 0.0076928300000000, 0.0288648600000000, -0.0000281300000000 ] - [ 0.0079298700000000, 0.0291716000000000, -0.0003256800000000 ] - [ 0.0076928300000000, 0.0288648600000000, 0.0000281300000000 ] - [ 0.0079455200000000, 0.0287658600000000, 0.0000000000000000 ] - [ 0.0078144000000000, 0.0288615100000000, 0.0000000000000000 ] - [ -0.0080089700000000, 0.0283830000000000, 0.0000000000000000 ] - [ -0.0080094700000000, 0.0296269200000000, 0.0000000000000000 ] - [ -0.0079039600000000, 0.0287643200000000, 0.0000815200000000 ] - [ -0.0079040900000000, 0.0288375000000000, -0.0001045600000000 ] - [ -0.0079039600000000, 0.0287643200000000, -0.0000815200000000 ] - [ -0.0079040900000000, 0.0288375000000000, 0.0001045600000000 ] - [ 0.0070849900000000, -0.0285930600000000, -0.0034480300000000 ] - [ 0.0069258800000000, -0.0293429900000000, 0.0012074500000000 ] - [ 0.0070849900000000, -0.0285930600000000, 0.0034480300000000 ] - [ 0.0069258800000000, -0.0293429900000000, -0.0012074500000000 ] - [ 0.0078382500000000, -0.0287807300000000, 0.0000000000000000 ] - [ 0.0079277800000000, -0.0287936900000000, 0.0000000000000000 ] - [ -0.0079414000000000, -0.0286848600000000, -0.0002327600000000 ] - [ -0.0079415200000000, -0.0287734800000000, 0.0001640300000000 ] - [ -0.0079414000000000, -0.0286848600000000, 0.0002327600000000 ] - [ -0.0079415200000000, -0.0287734800000000, -0.0001640300000000 ] - [ -0.0079026400000000, -0.0288059300000000, 0.0000000000000000 ] - [ -0.0079049500000000, -0.0288223500000000, 0.0000000000000000 ] - [ 0.0042024600000000, 0.0348304800000000, 0.0000000000000000 ] - [ 0.0051695500000000, 0.0276702000000000, 0.0000000000000000 ] - [ 0.0080356800000000, 0.0292842900000000, 0.0003329200000000 ] - [ 0.0079420400000000, 0.0287476100000000, -0.0001554300000000 ] - [ 0.0080356800000000, 0.0292842900000000, -0.0003329200000000 ] - [ 0.0079420400000000, 0.0287476100000000, 0.0001554300000000 ] - [ -0.0062633400000000, 0.0286054800000000, 0.0002149100000000 ] - [ -0.0085091800000000, 0.0285016400000000, 0.0001728000000000 ] - [ -0.0062633400000000, 0.0286054800000000, -0.0002149100000000 ] - [ -0.0085091800000000, 0.0285016400000000, -0.0001728000000000 ] - [ -0.0077662700000000, 0.0287902600000000, 0.0000000000000000 ] - [ -0.0079075700000000, 0.0287617000000000, 0.0000000000000000 ] - [ 0.0082163200000000, -0.0285735500000000, 0.0000000000000000 ] - [ 0.0073828200000000, -0.0287399900000000, 0.0000000000000000 ] - [ 0.0079678400000000, -0.0287315900000000, -0.0001415700000000 ] - [ 0.0077765100000000, -0.0288673100000000, 0.0000193100000000 ] - [ 0.0079678400000000, -0.0287315900000000, 0.0001415700000000 ] - [ 0.0077765100000000, -0.0288673100000000, -0.0000193100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003492400000000, 0.0006205900000000, 0.0004720500000000 ] - [ 0.0033768800000000, 0.0042983400000000, -0.0027895200000000 ] - [ 0.0000271400000000, 0.0000278000000000, 0.0000129600000000 ] - [ -0.0003141700000000, 0.0003490800000000, -0.0000608600000000 ] - [ 0.0000768200000000, 0.0000614700000000, 0.0000128300000000 ] - [ -0.0000285700000000, 0.0000044500000000, 0.0000327300000000 ] - [ 0.0003492400000000, 0.0006205900000000, -0.0004720500000000 ] - [ 0.0033768800000000, 0.0042983400000000, 0.0027895200000000 ] - [ 0.0000768200000000, 0.0000614700000000, -0.0000128300000000 ] - [ -0.0000285700000000, 0.0000044500000000, -0.0000327300000000 ] - [ 0.0000271400000000, 0.0000278000000000, -0.0000129600000000 ] - [ -0.0003141700000000, 0.0003490800000000, 0.0000608600000000 ] - [ -0.0001149400000000, -0.0002547200000000, 0.0001085400000000 ] - [ 0.0001224700000000, 0.0000034000000000, 0.0001053000000000 ] - [ -0.0000215900000000, 0.0000168600000000, 0.0000134400000000 ] - [ 0.0000295000000000, -0.0000098400000000, 0.0000068100000000 ] - [ -0.0001269000000000, -0.0000408300000000, -0.0000700700000000 ] - [ 0.0000357800000000, 0.0000096900000000, -0.0000303000000000 ] - [ -0.0001149400000000, -0.0002547200000000, -0.0001085400000000 ] - [ 0.0001224700000000, 0.0000034000000000, -0.0001053000000000 ] - [ -0.0001269000000000, -0.0000408300000000, 0.0000700700000000 ] - [ 0.0000357800000000, 0.0000096900000000, 0.0000303000000000 ] - [ -0.0000215900000000, 0.0000168600000000, -0.0000134400000000 ] - [ 0.0000295000000000, -0.0000098400000000, -0.0000068100000000 ] - [ -0.0099165600000000, 0.0167132200000000, -0.0100741100000000 ] - [ 0.0000233800000000, 0.0006055900000000, 0.0005144900000000 ] - [ 0.0012247900000000, 0.0013703700000000, -0.0004937400000000 ] - [ 0.0002346200000000, 0.0005201000000000, 0.0002141900000000 ] - [ -0.0002258800000000, 0.0000711500000000, 0.0000998300000000 ] - [ -0.0000343400000000, 0.0001071500000000, 0.0000050100000000 ] - [ -0.0099165600000000, 0.0167132200000000, 0.0100741100000000 ] - [ 0.0000233800000000, 0.0006055900000000, -0.0005144900000000 ] - [ -0.0002258800000000, 0.0000711500000000, -0.0000998300000000 ] - [ -0.0000343400000000, 0.0001071500000000, -0.0000050100000000 ] - [ 0.0012247900000000, 0.0013703700000000, 0.0004937400000000 ] - [ 0.0002346200000000, 0.0005201000000000, -0.0002141900000000 ] - [ -0.0002158400000000, -0.0002655900000000, 0.0005949300000000 ] - [ -0.0001270500000000, -0.0004226100000000, 0.0000152300000000 ] - [ 0.0000186400000000, 0.0000006100000000, 0.0000143900000000 ] - [ -0.0000690400000000, 0.0000375200000000, 0.0000525200000000 ] - [ 0.0001019200000000, -0.0000328300000000, -0.0000245700000000 ] - [ 0.0003891700000000, -0.0002280700000000, -0.0005073700000000 ] - [ -0.0002158400000000, -0.0002655900000000, -0.0005949300000000 ] - [ -0.0001270500000000, -0.0004226100000000, -0.0000152300000000 ] - [ 0.0001019200000000, -0.0000328300000000, 0.0000245700000000 ] - [ 0.0003891700000000, -0.0002280700000000, 0.0005073700000000 ] - [ 0.0000186400000000, 0.0000006100000000, -0.0000143900000000 ] - [ -0.0000690400000000, 0.0000375200000000, -0.0000525200000000 ] - [ 0.0007556100000000, 0.0026505500000000, 0.0000897200000000 ] - [ 0.0009959400000000, 0.0017521600000000, 0.0000180000000000 ] - [ 0.0007556100000000, 0.0026505500000000, -0.0000897200000000 ] - [ 0.0009959400000000, 0.0017521600000000, -0.0000180000000000 ] - [ 0.0009233800000000, 0.0017718000000000, 0.0000000000000000 ] - [ 0.0009695500000000, 0.0017636500000000, 0.0000000000000000 ] - [ 0.0006174500000000, -0.0018995400000000, -0.0004112800000000 ] - [ 0.0012131000000000, -0.0018144100000000, -0.0002241300000000 ] - [ 0.0006174500000000, -0.0018995400000000, 0.0004112800000000 ] - [ 0.0012131000000000, -0.0018144100000000, 0.0002241300000000 ] - [ 0.0009752000000000, -0.0016721300000000, 0.0000000000000000 ] - [ 0.0009584000000000, -0.0016829600000000, 0.0000000000000000 ] - [ -0.0010112900000000, 0.0022006000000000, 0.0000000000000000 ] - [ -0.0009744400000000, -0.0016804000000000, 0.0000000000000000 ] - [ -0.0010094600000000, -0.0016707900000000, 0.0001714500000000 ] - [ -0.0009369000000000, -0.0016970800000000, 0.0000143400000000 ] - [ -0.0010094600000000, -0.0016707900000000, -0.0001714500000000 ] - [ -0.0009369000000000, -0.0016970800000000, -0.0000143400000000 ] - [ 0.0008487200000000, 0.0034326600000000, 0.0000000000000000 ] - [ 0.0000486400000000, 0.0023932300000000, 0.0000000000000000 ] - [ -0.0009226300000000, 0.0017824200000000, 0.0000204600000000 ] - [ -0.0009737200000000, 0.0017863300000000, 0.0000735500000000 ] - [ -0.0009226300000000, 0.0017824200000000, -0.0000204600000000 ] - [ -0.0009737200000000, 0.0017863300000000, -0.0000735500000000 ] - [ 0.0009134400000000, 0.0009624700000000, 0.0000000000000000 ] - [ 0.0009447700000000, 0.0014650600000000, 0.0000000000000000 ] - [ 0.0009832300000000, 0.0016127100000000, -0.0000404100000000 ] - [ 0.0009667800000000, 0.0016520000000000, 0.0000216000000000 ] - [ 0.0009832300000000, 0.0016127100000000, 0.0000404100000000 ] - [ 0.0009667800000000, 0.0016520000000000, -0.0000216000000000 ] - [ 0.0005080200000000, -0.0035449200000000, 0.0000000000000000 ] - [ 0.0015215300000000, -0.0018421500000000, 0.0000000000000000 ] - [ 0.0008485100000000, -0.0018833200000000, -0.0003140700000000 ] - [ 0.0010016200000000, -0.0017992300000000, 0.0000027000000000 ] - [ 0.0008485100000000, -0.0018833200000000, 0.0003140700000000 ] - [ 0.0010016200000000, -0.0017992300000000, -0.0000027000000000 ] - [ -0.0006201800000000, -0.0020101000000000, 0.0006054400000000 ] - [ -0.0011579000000000, -0.0018688600000000, 0.0000494200000000 ] - [ -0.0006201800000000, -0.0020101000000000, -0.0006054400000000 ] - [ -0.0011579000000000, -0.0018688600000000, -0.0000494200000000 ] - [ -0.0009762800000000, -0.0018189000000000, 0.0000000000000000 ] - [ -0.0009582200000000, -0.0017952900000000, 0.0000000000000000 ] - [ -0.0010683400000000, 0.0012490200000000, -0.0000221600000000 ] - [ -0.0008850000000000, 0.0016059500000000, 0.0000093500000000 ] - [ -0.0010683400000000, 0.0012490200000000, 0.0000221600000000 ] - [ -0.0008850000000000, 0.0016059500000000, -0.0000093500000000 ] - [ -0.0009866100000000, 0.0016683000000000, 0.0000000000000000 ] - [ -0.0009447100000000, 0.0016896100000000, 0.0000000000000000 ] - [ 0.0079457600000000, -0.0801579400000000, 0.0000000000000000 ] - [ -0.0081654900000000, -0.0297831900000000, 0.0000000000000000 ] - [ -0.0076911000000000, -0.0293518600000000, 0.0000221700000000 ] - [ -0.0080025700000000, -0.0289821400000000, -0.0001433300000000 ] - [ -0.0076911000000000, -0.0293518600000000, -0.0000221700000000 ] - [ -0.0080025700000000, -0.0289821400000000, 0.0001433300000000 ] - [ 0.0075328800000000, 0.0296812200000000, 0.0007639900000000 ] - [ 0.0078458600000000, 0.0288435300000000, 0.0001709400000000 ] - [ 0.0075328800000000, 0.0296812200000000, -0.0007639900000000 ] - [ 0.0078458600000000, 0.0288435300000000, -0.0001709400000000 ] - [ 0.0079433300000000, 0.0287546600000000, 0.0000000000000000 ] - [ 0.0078480900000000, 0.0288132800000000, 0.0000000000000000 ] - [ -0.0070781900000000, 0.0298129000000000, 0.0000000000000000 ] - [ -0.0083205700000000, 0.0298126200000000, 0.0000000000000000 ] - [ -0.0078744900000000, 0.0288089600000000, -0.0000357400000000 ] - [ -0.0079444600000000, 0.0288116200000000, -0.0001948600000000 ] - [ -0.0078744900000000, 0.0288089600000000, 0.0000357400000000 ] - [ -0.0079444600000000, 0.0288116200000000, 0.0001948600000000 ] - [ 0.0081237300000000, -0.0306118700000000, 0.0003691800000000 ] - [ 0.0073672200000000, -0.0297094800000000, 0.0005741700000000 ] - [ 0.0081237300000000, -0.0306118700000000, -0.0003691800000000 ] - [ 0.0073672200000000, -0.0297094800000000, -0.0005741700000000 ] - [ 0.0079266400000000, -0.0289674300000000, 0.0000000000000000 ] - [ 0.0079194300000000, -0.0288863000000000, 0.0000000000000000 ] - [ -0.0079354300000000, -0.0284586000000000, 0.0000632900000000 ] - [ -0.0080274000000000, -0.0284590400000000, 0.0001719000000000 ] - [ -0.0079354300000000, -0.0284586000000000, -0.0000632900000000 ] - [ -0.0080274000000000, -0.0284590400000000, -0.0001719000000000 ] - [ -0.0078834000000000, -0.0287972300000000, 0.0000000000000000 ] - [ -0.0079065200000000, -0.0287911400000000, 0.0000000000000000 ] - [ 0.0018815400000000, 0.0325228100000000, 0.0000000000000000 ] - [ 0.0090375600000000, 0.0285338500000000, 0.0000000000000000 ] - [ 0.0074211900000000, 0.0285868300000000, 0.0003743200000000 ] - [ 0.0079694500000000, 0.0287297400000000, 0.0000407300000000 ] - [ 0.0074211900000000, 0.0285868300000000, -0.0003743200000000 ] - [ 0.0079694500000000, 0.0287297400000000, -0.0000407300000000 ] - [ -0.0081009100000000, 0.0290848000000000, -0.0035227800000000 ] - [ -0.0082022800000000, 0.0284965600000000, -0.0004835000000000 ] - [ -0.0081009100000000, 0.0290848000000000, 0.0035227800000000 ] - [ -0.0082022800000000, 0.0284965600000000, 0.0004835000000000 ] - [ -0.0079181400000000, 0.0288070500000000, 0.0000000000000000 ] - [ -0.0079495700000000, 0.0287855100000000, 0.0000000000000000 ] - [ 0.0081387700000000, -0.0279130500000000, 0.0000000000000000 ] - [ 0.0079735300000000, -0.0281524700000000, 0.0000000000000000 ] - [ 0.0079753000000000, -0.0285495400000000, -0.0002051100000000 ] - [ 0.0078429800000000, -0.0287837100000000, -0.0000489100000000 ] - [ 0.0079753000000000, -0.0285495400000000, 0.0002051100000000 ] - [ 0.0078429800000000, -0.0287837100000000, 0.0000489100000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003502300000000, -0.0006184000000000, -0.0004699800000000 ] - [ -0.0033163400000000, -0.0043073700000000, 0.0027436300000000 ] - [ -0.0000279200000000, -0.0000261600000000, -0.0000126500000000 ] - [ 0.0003171500000000, -0.0003505600000000, 0.0000621000000000 ] - [ -0.0000765900000000, -0.0000614700000000, -0.0000131500000000 ] - [ 0.0000301200000000, -0.0000039600000000, -0.0000328700000000 ] - [ -0.0003502300000000, -0.0006184000000000, 0.0004699800000000 ] - [ -0.0033163400000000, -0.0043073700000000, -0.0027436300000000 ] - [ -0.0000765900000000, -0.0000614700000000, 0.0000131500000000 ] - [ 0.0000301200000000, -0.0000039600000000, 0.0000328700000000 ] - [ -0.0000279200000000, -0.0000261600000000, 0.0000126500000000 ] - [ 0.0003171500000000, -0.0003505600000000, -0.0000621000000000 ] - [ 0.0001175500000000, 0.0002561900000000, -0.0001099100000000 ] - [ -0.0001224800000000, -0.0000028400000000, -0.0001060000000000 ] - [ 0.0000225800000000, -0.0000171200000000, -0.0000134400000000 ] - [ -0.0000284700000000, 0.0000094900000000, -0.0000071200000000 ] - [ 0.0001288600000000, 0.0000407100000000, 0.0000706600000000 ] - [ -0.0000348000000000, -0.0000101900000000, 0.0000304000000000 ] - [ 0.0001175500000000, 0.0002561900000000, 0.0001099100000000 ] - [ -0.0001224800000000, -0.0000028400000000, 0.0001060000000000 ] - [ 0.0001288600000000, 0.0000407100000000, -0.0000706600000000 ] - [ -0.0000348000000000, -0.0000101900000000, -0.0000304000000000 ] - [ 0.0000225800000000, -0.0000171200000000, 0.0000134400000000 ] - [ -0.0000284700000000, 0.0000094900000000, 0.0000071200000000 ] - [ 0.0095893300000000, -0.0165313000000000, 0.0097163600000000 ] - [ -0.0000202600000000, -0.0006089900000000, -0.0005163400000000 ] - [ -0.0012222000000000, -0.0013735800000000, 0.0005018200000000 ] - [ -0.0002342700000000, -0.0005209300000000, -0.0002170900000000 ] - [ 0.0002294600000000, -0.0000720300000000, -0.0000996600000000 ] - [ 0.0000349200000000, -0.0001072900000000, -0.0000063000000000 ] - [ 0.0095893300000000, -0.0165313000000000, -0.0097163600000000 ] - [ -0.0000202600000000, -0.0006089900000000, 0.0005163400000000 ] - [ 0.0002294600000000, -0.0000720300000000, 0.0000996600000000 ] - [ 0.0000349200000000, -0.0001072900000000, 0.0000063000000000 ] - [ -0.0012222000000000, -0.0013735800000000, -0.0005018200000000 ] - [ -0.0002342700000000, -0.0005209300000000, 0.0002170900000000 ] - [ 0.0002166400000000, 0.0002661200000000, -0.0005982600000000 ] - [ 0.0001278700000000, 0.0004252900000000, -0.0000167000000000 ] - [ -0.0000180000000000, 0.0000000600000000, -0.0000140500000000 ] - [ 0.0000716400000000, -0.0000374000000000, -0.0000529300000000 ] - [ -0.0001008400000000, 0.0000332400000000, 0.0000255600000000 ] - [ -0.0003893400000000, 0.0002294400000000, 0.0005109200000000 ] - [ 0.0002166400000000, 0.0002661200000000, 0.0005982600000000 ] - [ 0.0001278700000000, 0.0004252900000000, 0.0000167000000000 ] - [ -0.0001008400000000, 0.0000332400000000, -0.0000255600000000 ] - [ -0.0003893400000000, 0.0002294400000000, -0.0005109200000000 ] - [ -0.0000180000000000, 0.0000000600000000, 0.0000140500000000 ] - [ 0.0000716400000000, -0.0000374000000000, 0.0000529300000000 ] - [ 0.0011701900000000, 0.0008115900000000, -0.0001160200000000 ] - [ 0.0009209600000000, 0.0017205500000000, -0.0000178300000000 ] - [ 0.0011701900000000, 0.0008115900000000, 0.0001160200000000 ] - [ 0.0009209600000000, 0.0017205500000000, 0.0000178300000000 ] - [ 0.0009951600000000, 0.0017007500000000, 0.0000000000000000 ] - [ 0.0009487200000000, 0.0017090000000000, 0.0000000000000000 ] - [ 0.0013034100000000, -0.0015739100000000, 0.0004137700000000 ] - [ 0.0007024700000000, -0.0016575600000000, 0.0002270900000000 ] - [ 0.0013034100000000, -0.0015739100000000, -0.0004137700000000 ] - [ 0.0007024700000000, -0.0016575600000000, -0.0002270900000000 ] - [ 0.0009432800000000, -0.0018013600000000, 0.0000000000000000 ] - [ 0.0009599900000000, -0.0017907400000000, 0.0000000000000000 ] - [ -0.0008783500000000, -0.0058835900000000, 0.0000000000000000 ] - [ -0.0009426700000000, -0.0017930300000000, 0.0000000000000000 ] - [ -0.0009066500000000, -0.0018027100000000, -0.0001727900000000 ] - [ -0.0009796700000000, -0.0017763700000000, -0.0000145200000000 ] - [ -0.0009066500000000, -0.0018027100000000, 0.0001727900000000 ] - [ -0.0009796700000000, -0.0017763700000000, 0.0000145200000000 ] - [ -0.0027928800000000, 0.0000429400000000, 0.0000000000000000 ] - [ -0.0019609300000000, 0.0010660400000000, 0.0000000000000000 ] - [ -0.0009938600000000, 0.0016893900000000, -0.0000192100000000 ] - [ -0.0009426400000000, 0.0016864800000000, -0.0000741800000000 ] - [ -0.0009938600000000, 0.0016893900000000, 0.0000192100000000 ] - [ -0.0009426400000000, 0.0016864800000000, 0.0000741800000000 ] - [ 0.0010049300000000, 0.0025107300000000, 0.0000000000000000 ] - [ 0.0009728300000000, 0.0020100500000000, 0.0000000000000000 ] - [ 0.0009348900000000, 0.0018615100000000, 0.0000404500000000 ] - [ 0.0009518900000000, 0.0018221600000000, -0.0000215200000000 ] - [ 0.0009348900000000, 0.0018615100000000, -0.0000404500000000 ] - [ 0.0009518900000000, 0.0018221600000000, 0.0000215200000000 ] - [ 0.0014088000000000, 0.0000919900000000, 0.0000000000000000 ] - [ 0.0003970700000000, -0.0016293000000000, 0.0000000000000000 ] - [ 0.0010710700000000, -0.0015890800000000, 0.0003168500000000 ] - [ 0.0009163000000000, -0.0016732600000000, -0.0000031800000000 ] - [ 0.0010710700000000, -0.0015890800000000, -0.0003168500000000 ] - [ 0.0009163000000000, -0.0016732600000000, 0.0000031800000000 ] - [ -0.0012997300000000, -0.0014616500000000, -0.0006039800000000 ] - [ -0.0007564500000000, -0.0016039100000000, -0.0000500100000000 ] - [ -0.0012997300000000, -0.0014616500000000, 0.0006039800000000 ] - [ -0.0007564500000000, -0.0016039100000000, 0.0000500100000000 ] - [ -0.0009404900000000, -0.0016532900000000, 0.0000000000000000 ] - [ -0.0009580000000000, -0.0016785200000000, 0.0000000000000000 ] - [ -0.0008472700000000, 0.0022272300000000, 0.0000234200000000 ] - [ -0.0010314000000000, 0.0018672100000000, -0.0000090100000000 ] - [ -0.0008472700000000, 0.0022272300000000, -0.0000234200000000 ] - [ -0.0010314000000000, 0.0018672100000000, 0.0000090100000000 ] - [ -0.0009296600000000, 0.0018054700000000, 0.0000000000000000 ] - [ -0.0009719700000000, 0.0017836400000000, 0.0000000000000000 ] - [ -0.0232972300000000, 0.0223552500000000, 0.0000000000000000 ] - [ -0.0076000000000000, -0.0278719600000000, 0.0000000000000000 ] - [ -0.0080788800000000, -0.0283051400000000, -0.0000215100000000 ] - [ -0.0077651800000000, -0.0286791500000000, 0.0001428100000000 ] - [ -0.0080788800000000, -0.0283051400000000, 0.0000215100000000 ] - [ -0.0077651800000000, -0.0286791500000000, -0.0001428100000000 ] - [ 0.0082339800000000, 0.0279770400000000, -0.0007680700000000 ] - [ 0.0079209600000000, 0.0288218300000000, -0.0001731700000000 ] - [ 0.0082339800000000, 0.0279770400000000, 0.0007680700000000 ] - [ 0.0079209600000000, 0.0288218300000000, 0.0001731700000000 ] - [ 0.0078261200000000, 0.0289037300000000, 0.0000000000000000 ] - [ 0.0079184600000000, 0.0288498800000000, 0.0000000000000000 ] - [ -0.0086916900000000, 0.0278501600000000, 0.0000000000000000 ] - [ -0.0074403300000000, 0.0278469400000000, 0.0000000000000000 ] - [ -0.0078951600000000, 0.0288500600000000, 0.0000358300000000 ] - [ -0.0078221800000000, 0.0288498800000000, 0.0001969600000000 ] - [ -0.0078951600000000, 0.0288500600000000, -0.0000358300000000 ] - [ -0.0078221800000000, 0.0288498800000000, -0.0001969600000000 ] - [ 0.0076558000000000, -0.0270414400000000, -0.0003554800000000 ] - [ 0.0084078700000000, -0.0279427100000000, -0.0005774700000000 ] - [ 0.0076558000000000, -0.0270414400000000, 0.0003554800000000 ] - [ 0.0084078700000000, -0.0279427100000000, 0.0005774700000000 ] - [ 0.0078392500000000, -0.0286940100000000, 0.0000000000000000 ] - [ 0.0078525200000000, -0.0287715500000000, 0.0000000000000000 ] - [ -0.0078310500000000, -0.0292025500000000, -0.0000646200000000 ] - [ -0.0077407800000000, -0.0292032100000000, -0.0001736400000000 ] - [ -0.0078310500000000, -0.0292025500000000, 0.0000646200000000 ] - [ -0.0077407800000000, -0.0292032100000000, 0.0001736400000000 ] - [ -0.0078794600000000, -0.0288679400000000, 0.0000000000000000 ] - [ -0.0078636000000000, -0.0288660500000000, 0.0000000000000000 ] - [ 0.0138397500000000, 0.0251534400000000, 0.0000000000000000 ] - [ 0.0067210700000000, 0.0291222300000000, 0.0000000000000000 ] - [ 0.0083442500000000, 0.0290759200000000, -0.0003771400000000 ] - [ 0.0078047400000000, 0.0289270300000000, -0.0000412100000000 ] - [ 0.0083442500000000, 0.0290759200000000, 0.0003771400000000 ] - [ 0.0078047400000000, 0.0289270300000000, 0.0000412100000000 ] - [ -0.0076687000000000, 0.0285559900000000, 0.0035242800000000 ] - [ -0.0075616000000000, 0.0291678200000000, 0.0004835900000000 ] - [ -0.0076687000000000, 0.0285559900000000, -0.0035242800000000 ] - [ -0.0075616000000000, 0.0291678200000000, -0.0004835900000000 ] - [ -0.0078482600000000, 0.0288557300000000, 0.0000000000000000 ] - [ -0.0078189000000000, 0.0288734600000000, 0.0000000000000000 ] - [ 0.0076301000000000, -0.0297508500000000, 0.0000000000000000 ] - [ 0.0077980300000000, -0.0295080600000000, 0.0000000000000000 ] - [ 0.0077915100000000, -0.0291160200000000, 0.0002038500000000 ] - [ 0.0079257100000000, -0.0288795700000000, 0.0000494200000000 ] - [ 0.0077915100000000, -0.0291160200000000, -0.0002038500000000 ] - [ 0.0079257100000000, -0.0288795700000000, -0.0000494200000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002698100000000, 0.0003076600000000, 0.0005410600000000 ] - [ -0.0034937400000000, -0.0026144000000000, 0.0042101100000000 ] - [ 0.0004497800000000, -0.0004148400000000, -0.0001585900000000 ] - [ -0.0004146400000000, 0.0001015600000000, -0.0004548200000000 ] - [ -0.0000698900000000, -0.0000388600000000, -0.0002549300000000 ] - [ 0.0000797300000000, 0.0000413600000000, -0.0002056200000000 ] - [ 0.0002671000000000, -0.0003096600000000, 0.0005441200000000 ] - [ 0.0035865000000000, 0.0026825700000000, 0.0042557000000000 ] - [ 0.0000688700000000, 0.0000377500000000, -0.0002551300000000 ] - [ -0.0000805300000000, -0.0000411400000000, -0.0002058000000000 ] - [ -0.0004518100000000, 0.0004140000000000, -0.0001606900000000 ] - [ 0.0004132100000000, -0.0001029700000000, -0.0004535800000000 ] - [ 0.0000491400000000, 0.0000208000000000, 0.0001657900000000 ] - [ -0.0000061200000000, -0.0000175700000000, 0.0001168100000000 ] - [ 0.0000204500000000, -0.0000153200000000, -0.0001067700000000 ] - [ -0.0000086000000000, 0.0000109200000000, -0.0000785500000000 ] - [ -0.0000800400000000, 0.0000058400000000, -0.0000547400000000 ] - [ 0.0000172200000000, 0.0000059900000000, -0.0000360800000000 ] - [ -0.0000491700000000, -0.0000208200000000, 0.0001646900000000 ] - [ 0.0000059200000000, 0.0000173800000000, 0.0001160100000000 ] - [ 0.0000801100000000, -0.0000059000000000, -0.0000546900000000 ] - [ -0.0000178700000000, -0.0000061000000000, -0.0000358000000000 ] - [ -0.0000205900000000, 0.0000152300000000, -0.0001066900000000 ] - [ 0.0000080000000000, -0.0000110000000000, -0.0000785100000000 ] - [ 0.0081716500000000, -0.0090204000000000, 0.0165627300000000 ] - [ 0.0002202500000000, 0.0002924600000000, 0.0010664800000000 ] - [ -0.0002492000000000, 0.0002497700000000, -0.0018780000000000 ] - [ -0.0000621800000000, -0.0006290600000000, -0.0004971900000000 ] - [ 0.0000485800000000, -0.0000550900000000, -0.0010802100000000 ] - [ -0.0000899500000000, 0.0001445900000000, -0.0007306400000000 ] - [ -0.0085829300000000, 0.0094596700000000, 0.0168992000000000 ] - [ -0.0002204400000000, -0.0002956400000000, 0.0010731700000000 ] - [ -0.0000476200000000, 0.0000531700000000, -0.0010801700000000 ] - [ 0.0000901600000000, -0.0001451600000000, -0.0007313300000000 ] - [ 0.0002510200000000, -0.0002513500000000, -0.0018776600000000 ] - [ 0.0000623800000000, 0.0006264000000000, -0.0004974700000000 ] - [ -0.0000433300000000, -0.0000395600000000, 0.0004493100000000 ] - [ -0.0001761000000000, 0.0000981700000000, 0.0007068700000000 ] - [ 0.0000414000000000, 0.0000334900000000, -0.0003457900000000 ] - [ -0.0000937500000000, -0.0000736600000000, -0.0004521900000000 ] - [ -0.0000169200000000, -0.0000157800000000, -0.0000755600000000 ] - [ 0.0003089700000000, -0.0000473500000000, -0.0003025500000000 ] - [ 0.0000428800000000, 0.0000395200000000, 0.0004467100000000 ] - [ 0.0001731100000000, -0.0000989000000000, 0.0007019800000000 ] - [ 0.0000166100000000, 0.0000158000000000, -0.0000756400000000 ] - [ -0.0003101100000000, 0.0000476700000000, -0.0003033000000000 ] - [ -0.0000418700000000, -0.0000332400000000, -0.0003461100000000 ] - [ 0.0000933400000000, 0.0000737000000000, -0.0004524300000000 ] - [ 0.0008437500000000, 0.0023459400000000, 0.0024904900000000 ] - [ 0.0006506800000000, 0.0015883900000000, 0.0001808400000000 ] - [ 0.0010918200000000, 0.0010674300000000, 0.0026473000000000 ] - [ 0.0012638300000000, 0.0018864500000000, 0.0001816500000000 ] - [ 0.0009572700000000, 0.0017374900000000, -0.0003100000000000 ] - [ 0.0009574000000000, 0.0017375600000000, -0.0002345300000000 ] - [ 0.0007003900000000, -0.0023187500000000, -0.0000316400000000 ] - [ 0.0011450900000000, -0.0019481300000000, -0.0000039900000000 ] - [ 0.0012157300000000, -0.0011550900000000, -0.0000315800000000 ] - [ 0.0007686400000000, -0.0015266300000000, -0.0000028500000000 ] - [ 0.0009575500000000, -0.0017374400000000, -0.0001495800000000 ] - [ 0.0009572600000000, -0.0017375500000000, -0.0001328700000000 ] - [ -0.0009597600000000, -0.0017237700000000, 0.0010310300000000 ] - [ -0.0009577000000000, -0.0017377300000000, 0.0001697300000000 ] - [ -0.0009843800000000, -0.0015710900000000, -0.0002213000000000 ] - [ -0.0009419800000000, -0.0016343400000000, -0.0000929600000000 ] - [ -0.0009313200000000, -0.0019028100000000, -0.0002200200000000 ] - [ -0.0009738200000000, -0.0018403800000000, -0.0000929900000000 ] - [ -0.0009474500000000, 0.0017400000000000, 0.0011870100000000 ] - [ -0.0009585600000000, 0.0017387000000000, 0.0012523600000000 ] - [ -0.0009725200000000, 0.0019934800000000, -0.0005045200000000 ] - [ -0.0009977900000000, 0.0018112400000000, -0.0001888700000000 ] - [ -0.0009435000000000, 0.0014812000000000, -0.0005052300000000 ] - [ -0.0009183800000000, 0.0016636300000000, -0.0001885400000000 ] - [ 0.0009573800000000, 0.0017387600000000, 0.0001407200000000 ] - [ 0.0009571500000000, 0.0017376000000000, 0.0001891400000000 ] - [ 0.0010682500000000, 0.0015516700000000, -0.0001099500000000 ] - [ 0.0009026000000000, 0.0016819900000000, -0.0001031500000000 ] - [ 0.0008470100000000, 0.0019229400000000, -0.0001099400000000 ] - [ 0.0010119900000000, 0.0017927200000000, -0.0001032800000000 ] - [ 0.0009578400000000, -0.0017348100000000, 0.0010716000000000 ] - [ 0.0009561500000000, -0.0017375100000000, 0.0001728300000000 ] - [ 0.0007567700000000, -0.0018369600000000, -0.0005478400000000 ] - [ 0.0010452600000000, -0.0018187000000000, -0.0001021400000000 ] - [ 0.0011581800000000, -0.0016372900000000, -0.0005488900000000 ] - [ 0.0008695200000000, -0.0016560300000000, -0.0001023900000000 ] - [ -0.0014420000000000, -0.0013476600000000, 0.0002701300000000 ] - [ -0.0005948800000000, -0.0016312700000000, 0.0001075100000000 ] - [ -0.0004735600000000, -0.0021260900000000, 0.0002741100000000 ] - [ -0.0013217800000000, -0.0018433200000000, 0.0001090000000000 ] - [ -0.0009578800000000, -0.0017374400000000, -0.0003715000000000 ] - [ -0.0009580200000000, -0.0017373700000000, -0.0001717200000000 ] - [ -0.0008792400000000, 0.0021560700000000, 0.0001828300000000 ] - [ -0.0009287800000000, 0.0017941300000000, 0.0000628600000000 ] - [ -0.0010365800000000, 0.0013190600000000, 0.0001838200000000 ] - [ -0.0009872000000000, 0.0016809800000000, 0.0000634500000000 ] - [ -0.0009579100000000, 0.0017372900000000, -0.0002098700000000 ] - [ -0.0009580100000000, 0.0017373800000000, -0.0001090800000000 ] - [ -0.0075505400000000, -0.0293102500000000, -0.0605455700000000 ] - [ -0.0078882300000000, -0.0288259400000000, -0.0008611600000000 ] - [ -0.0078603300000000, -0.0288485900000000, 0.0012231900000000 ] - [ -0.0080872800000000, -0.0286832700000000, 0.0007671100000000 ] - [ -0.0079188900000000, -0.0288035500000000, 0.0012190800000000 ] - [ -0.0076877300000000, -0.0289701500000000, 0.0007652600000000 ] - [ 0.0075604100000000, 0.0295915100000000, 0.0000503500000000 ] - [ 0.0079146600000000, 0.0289986800000000, -0.0001479700000000 ] - [ 0.0082145200000000, 0.0280583600000000, 0.0000487400000000 ] - [ 0.0078585100000000, 0.0286553600000000, -0.0001494300000000 ] - [ 0.0078868400000000, 0.0288276000000000, 0.0004269300000000 ] - [ 0.0078878900000000, 0.0288252000000000, 0.0002978400000000 ] - [ -0.0078860900000000, 0.0288275400000000, -0.0006322200000000 ] - [ -0.0078881000000000, 0.0288298900000000, -0.0006321800000000 ] - [ -0.0079923800000000, 0.0286291600000000, 0.0002388100000000 ] - [ -0.0078066800000000, 0.0287904300000000, 0.0002385200000000 ] - [ -0.0077825400000000, 0.0290226500000000, 0.0002389000000000 ] - [ -0.0079680800000000, 0.0288641800000000, 0.0002387300000000 ] - [ 0.0113227700000000, -0.0291888700000000, 0.0032675900000000 ] - [ 0.0066792800000000, -0.0294005400000000, 0.0004482600000000 ] - [ 0.0044283000000000, -0.0284642100000000, 0.0032799800000000 ] - [ 0.0090994700000000, -0.0282494400000000, 0.0004468600000000 ] - [ 0.0078861400000000, -0.0288256300000000, 0.0010424100000000 ] - [ 0.0078862500000000, -0.0288267100000000, 0.0006523400000000 ] - [ -0.0077237200000000, -0.0289984100000000, -0.0002154700000000 ] - [ -0.0081184700000000, -0.0288915700000000, -0.0002153300000000 ] - [ -0.0080525000000000, -0.0286541400000000, -0.0002165800000000 ] - [ -0.0076552300000000, -0.0287623200000000, -0.0002167000000000 ] - [ -0.0078871200000000, -0.0288267000000000, 0.0003704200000000 ] - [ -0.0078865000000000, -0.0288281700000000, 0.0003703500000000 ] - [ 0.0078972300000000, 0.0288139700000000, -0.0028883800000000 ] - [ 0.0078845200000000, 0.0288227900000000, -0.0013253800000000 ] - [ 0.0075515600000000, 0.0292027600000000, 0.0013382100000000 ] - [ 0.0080434600000000, 0.0288691600000000, 0.0004385700000000 ] - [ 0.0082219100000000, 0.0284516200000000, 0.0013409600000000 ] - [ 0.0077327400000000, 0.0287820400000000, 0.0004387400000000 ] - [ -0.0076804600000000, 0.0253193200000000, 0.0032535400000000 ] - [ -0.0077127200000000, 0.0283460300000000, -0.0003838100000000 ] - [ -0.0080950200000000, 0.0323665900000000, 0.0032683200000000 ] - [ -0.0080616700000000, 0.0293118400000000, -0.0003870700000000 ] - [ -0.0078869600000000, 0.0288271300000000, 0.0011231500000000 ] - [ -0.0078881600000000, 0.0288259600000000, 0.0006918000000000 ] - [ 0.0078899500000000, -0.0288224200000000, -0.0006478800000000 ] - [ 0.0078877200000000, -0.0288266500000000, -0.0003501800000000 ] - [ 0.0080272400000000, -0.0286216900000000, 0.0004377500000000 ] - [ 0.0078665600000000, -0.0287786200000000, 0.0001761500000000 ] - [ 0.0077473200000000, -0.0290313500000000, 0.0004392100000000 ] - [ 0.0079064600000000, -0.0288762500000000, 0.0001764700000000 ]