# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a0cc0cc3-0741-4f4e-89ad-73a06ed3514a/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 NbNO / C2/m (12) / materials id 754752](https://mdr.nims.go.jp/datasets/5bd2a12a-739c-4121-9a13-5989da7a2f80) ## 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: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.569468980000000, -1.940901065000000, -0.019571915000000 ] # a - [ 6.569468980000000, 1.940901065000000, -0.019571915000000 ] # b - [ -2.065090850000000, 0.000000000000000, 6.468004380000000 ] # c points: - symbol: Nb # 1 coordinates: [ 0.895321500000000, 0.895321500000000, 0.786585950000000 ] mass: 92.906380 - symbol: Nb # 2 coordinates: [ 0.812999760000000, 0.812999760000000, 0.189136620000000 ] mass: 92.906380 - symbol: Nb # 3 coordinates: [ 0.187000240000000, 0.187000240000000, 0.810863380000000 ] mass: 92.906380 - symbol: Nb # 4 coordinates: [ 0.104678500000000, 0.104678500000000, 0.213414050000000 ] mass: 92.906380 - symbol: N # 5 coordinates: [ 0.947332290000000, 0.947332290000000, 0.139192140000000 ] mass: 14.006700 - symbol: N # 6 coordinates: [ 0.741295130000000, 0.741295130000000, 0.853600920000000 ] mass: 14.006700 - symbol: N # 7 coordinates: [ 0.258704870000000, 0.258704870000000, 0.146399080000000 ] mass: 14.006700 - symbol: N # 8 coordinates: [ 0.052667710000000, 0.052667710000000, 0.860807860000000 ] mass: 14.006700 - symbol: O # 9 coordinates: [ 0.365959560000000, 0.365959560000000, 0.792934180000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.857768340000000, 0.857768340000000, 0.491787870000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.142231660000000, 0.142231660000000, 0.508212130000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.634040440000000, 0.634040440000000, 0.207065820000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.076182116761956, -0.257612306477868, 0.024323266190916 ] # a* - [ 0.076182116761956, 0.257612306477868, 0.024323266190916 ] # b* - [ 0.000461047898606, 0.000000000000000, 0.154754395172012 ] # c*unit_cell: lattice: - [ 13.138937960000000, 0.000000000000000, -0.039143830000000 ] # a - [ 0.000000000000000, 3.881802130000000, 0.000000000000000 ] # b - [ -2.065090850000000, 0.000000000000000, 6.468004380000000 ] # c points: - symbol: Nb # 1 coordinates: [ 0.395321500000000, 0.500000000000000, 0.786585950000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 2 coordinates: [ 0.312999760000000, 0.500000000000000, 0.189136620000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 3 coordinates: [ 0.187000240000000, 0.000000000000000, 0.810863380000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 4 coordinates: [ 0.104678500000000, 0.000000000000000, 0.213414050000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 5 coordinates: [ 0.895321500000000, 0.000000000000000, 0.786585950000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 6 coordinates: [ 0.812999760000000, 0.000000000000000, 0.189136620000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 7 coordinates: [ 0.687000240000000, 0.500000000000000, 0.810863380000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 8 coordinates: [ 0.604678500000000, 0.500000000000000, 0.213414050000000 ] mass: 92.906380 reduced_to: 4 - symbol: N # 9 coordinates: [ 0.447332290000000, 0.500000000000000, 0.139192140000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 10 coordinates: [ 0.241295130000000, 0.500000000000000, 0.853600920000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 11 coordinates: [ 0.258704870000000, 0.000000000000000, 0.146399080000000 ] mass: 14.006700 reduced_to: 11 - symbol: N # 12 coordinates: [ 0.052667710000000, 0.000000000000000, 0.860807860000000 ] mass: 14.006700 reduced_to: 12 - symbol: N # 13 coordinates: [ 0.947332290000000, 0.000000000000000, 0.139192140000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 14 coordinates: [ 0.741295130000000, 0.000000000000000, 0.853600920000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 15 coordinates: [ 0.758704870000000, 0.500000000000000, 0.146399080000000 ] mass: 14.006700 reduced_to: 11 - symbol: N # 16 coordinates: [ 0.552667710000000, 0.500000000000000, 0.860807860000000 ] mass: 14.006700 reduced_to: 12 - symbol: O # 17 coordinates: [ 0.365959560000000, 0.000000000000000, 0.792934180000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.357768340000000, 0.500000000000000, 0.491787870000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.142231660000000, 0.000000000000000, 0.508212130000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.134040440000000, 0.500000000000000, 0.207065820000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.865959560000000, 0.500000000000000, 0.792934180000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 22 coordinates: [ 0.857768340000000, 0.000000000000000, 0.491787870000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 23 coordinates: [ 0.642231660000000, 0.500000000000000, 0.508212130000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 24 coordinates: [ 0.634040440000000, 0.000000000000000, 0.207065820000000 ] mass: 15.999400 reduced_to: 20supercell: lattice: - [ 13.138937960000000, 0.000000000000000, -0.039143830000000 ] # a - [ 0.000000000000000, 11.645406390000000, 0.000000000000000 ] # b - [ -4.130181700000000, 0.000000000000000, 12.936008760000000 ] # c points: - symbol: Nb # 1 coordinates: [ 0.395321500000000, 0.166666666666667, 0.393292975000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 2 coordinates: [ 0.395321500000000, 0.500000000000000, 0.393292975000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 3 coordinates: [ 0.395321500000000, 0.833333333333333, 0.393292975000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 4 coordinates: [ 0.395321500000000, 0.166666666666667, 0.893292975000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 5 coordinates: [ 0.395321500000000, 0.500000000000000, 0.893292975000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 6 coordinates: [ 0.395321500000000, 0.833333333333333, 0.893292975000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 7 coordinates: [ 0.312999760000000, 0.166666666666667, 0.094568310000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 8 coordinates: [ 0.312999760000000, 0.500000000000000, 0.094568310000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 9 coordinates: [ 0.312999760000000, 0.833333333333333, 0.094568310000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 10 coordinates: [ 0.312999760000000, 0.166666666666667, 0.594568310000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 11 coordinates: [ 0.312999760000000, 0.500000000000000, 0.594568310000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 12 coordinates: [ 0.312999760000000, 0.833333333333333, 0.594568310000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 13 coordinates: [ 0.187000240000000, 0.000000000000000, 0.405431690000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 14 coordinates: [ 0.187000240000000, 0.333333333333333, 0.405431690000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 15 coordinates: [ 0.187000240000000, 0.666666666666667, 0.405431690000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 16 coordinates: [ 0.187000240000000, 0.000000000000000, 0.905431690000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 17 coordinates: [ 0.187000240000000, 0.333333333333333, 0.905431690000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 18 coordinates: [ 0.187000240000000, 0.666666666666667, 0.905431690000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 19 coordinates: [ 0.104678500000000, 0.000000000000000, 0.106707025000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 20 coordinates: [ 0.104678500000000, 0.333333333333333, 0.106707025000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 21 coordinates: [ 0.104678500000000, 0.666666666666667, 0.106707025000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 22 coordinates: [ 0.104678500000000, 0.000000000000000, 0.606707025000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 23 coordinates: [ 0.104678500000000, 0.333333333333333, 0.606707025000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 24 coordinates: [ 0.104678500000000, 0.666666666666667, 0.606707025000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 25 coordinates: [ 0.895321500000000, 0.000000000000000, 0.393292975000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 26 coordinates: [ 0.895321500000000, 0.333333333333333, 0.393292975000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 27 coordinates: [ 0.895321500000000, 0.666666666666667, 0.393292975000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 28 coordinates: [ 0.895321500000000, 0.000000000000000, 0.893292975000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 29 coordinates: [ 0.895321500000000, 0.333333333333333, 0.893292975000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 30 coordinates: [ 0.895321500000000, 0.666666666666667, 0.893292975000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 31 coordinates: [ 0.812999760000000, 0.000000000000000, 0.094568310000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 32 coordinates: [ 0.812999760000000, 0.333333333333333, 0.094568310000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 33 coordinates: [ 0.812999760000000, 0.666666666666667, 0.094568310000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 34 coordinates: [ 0.812999760000000, 0.000000000000000, 0.594568310000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 35 coordinates: [ 0.812999760000000, 0.333333333333333, 0.594568310000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 36 coordinates: [ 0.812999760000000, 0.666666666666667, 0.594568310000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 37 coordinates: [ 0.687000240000000, 0.166666666666667, 0.405431690000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 38 coordinates: [ 0.687000240000000, 0.500000000000000, 0.405431690000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 39 coordinates: [ 0.687000240000000, 0.833333333333333, 0.405431690000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 40 coordinates: [ 0.687000240000000, 0.166666666666667, 0.905431690000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 41 coordinates: [ 0.687000240000000, 0.500000000000000, 0.905431690000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 42 coordinates: [ 0.687000240000000, 0.833333333333333, 0.905431690000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 43 coordinates: [ 0.604678500000000, 0.166666666666667, 0.106707025000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 44 coordinates: [ 0.604678500000000, 0.500000000000000, 0.106707025000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 45 coordinates: [ 0.604678500000000, 0.833333333333333, 0.106707025000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 46 coordinates: [ 0.604678500000000, 0.166666666666667, 0.606707025000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 47 coordinates: [ 0.604678500000000, 0.500000000000000, 0.606707025000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 48 coordinates: [ 0.604678500000000, 0.833333333333333, 0.606707025000000 ] mass: 92.906380 reduced_to: 19 - symbol: N # 49 coordinates: [ 0.447332290000000, 0.166666666666667, 0.069596070000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 50 coordinates: [ 0.447332290000000, 0.500000000000000, 0.069596070000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 51 coordinates: [ 0.447332290000000, 0.833333333333333, 0.069596070000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 52 coordinates: [ 0.447332290000000, 0.166666666666667, 0.569596070000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 53 coordinates: [ 0.447332290000000, 0.500000000000000, 0.569596070000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 54 coordinates: [ 0.447332290000000, 0.833333333333333, 0.569596070000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 55 coordinates: [ 0.241295130000000, 0.166666666666667, 0.426800460000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 56 coordinates: [ 0.241295130000000, 0.500000000000000, 0.426800460000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 57 coordinates: [ 0.241295130000000, 0.833333333333333, 0.426800460000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 58 coordinates: [ 0.241295130000000, 0.166666666666667, 0.926800460000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 59 coordinates: [ 0.241295130000000, 0.500000000000000, 0.926800460000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 60 coordinates: [ 0.241295130000000, 0.833333333333333, 0.926800460000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 61 coordinates: [ 0.258704870000000, 0.000000000000000, 0.073199540000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 62 coordinates: [ 0.258704870000000, 0.333333333333333, 0.073199540000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 63 coordinates: [ 0.258704870000000, 0.666666666666667, 0.073199540000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 64 coordinates: [ 0.258704870000000, 0.000000000000000, 0.573199540000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 65 coordinates: [ 0.258704870000000, 0.333333333333333, 0.573199540000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 66 coordinates: [ 0.258704870000000, 0.666666666666667, 0.573199540000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 67 coordinates: [ 0.052667710000000, 0.000000000000000, 0.430403930000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 68 coordinates: [ 0.052667710000000, 0.333333333333333, 0.430403930000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 69 coordinates: [ 0.052667710000000, 0.666666666666667, 0.430403930000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 70 coordinates: [ 0.052667710000000, 0.000000000000000, 0.930403930000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 71 coordinates: [ 0.052667710000000, 0.333333333333333, 0.930403930000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 72 coordinates: [ 0.052667710000000, 0.666666666666667, 0.930403930000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 73 coordinates: [ 0.947332290000000, 0.000000000000000, 0.069596070000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 74 coordinates: [ 0.947332290000000, 0.333333333333333, 0.069596070000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 75 coordinates: [ 0.947332290000000, 0.666666666666667, 0.069596070000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 76 coordinates: [ 0.947332290000000, 0.000000000000000, 0.569596070000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 77 coordinates: [ 0.947332290000000, 0.333333333333333, 0.569596070000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 78 coordinates: [ 0.947332290000000, 0.666666666666667, 0.569596070000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 79 coordinates: [ 0.741295130000000, 0.000000000000000, 0.426800460000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 80 coordinates: [ 0.741295130000000, 0.333333333333333, 0.426800460000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 81 coordinates: [ 0.741295130000000, 0.666666666666667, 0.426800460000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 82 coordinates: [ 0.741295130000000, 0.000000000000000, 0.926800460000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 83 coordinates: [ 0.741295130000000, 0.333333333333333, 0.926800460000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 84 coordinates: [ 0.741295130000000, 0.666666666666667, 0.926800460000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 85 coordinates: [ 0.758704870000000, 0.166666666666667, 0.073199540000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 86 coordinates: [ 0.758704870000000, 0.500000000000000, 0.073199540000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 87 coordinates: [ 0.758704870000000, 0.833333333333333, 0.073199540000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 88 coordinates: [ 0.758704870000000, 0.166666666666667, 0.573199540000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 89 coordinates: [ 0.758704870000000, 0.500000000000000, 0.573199540000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 90 coordinates: [ 0.758704870000000, 0.833333333333333, 0.573199540000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 91 coordinates: [ 0.552667710000000, 0.166666666666667, 0.430403930000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 92 coordinates: [ 0.552667710000000, 0.500000000000000, 0.430403930000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 93 coordinates: [ 0.552667710000000, 0.833333333333333, 0.430403930000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 94 coordinates: [ 0.552667710000000, 0.166666666666667, 0.930403930000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 95 coordinates: [ 0.552667710000000, 0.500000000000000, 0.930403930000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 96 coordinates: [ 0.552667710000000, 0.833333333333333, 0.930403930000000 ] mass: 14.006700 reduced_to: 67 - symbol: O # 97 coordinates: [ 0.365959560000000, 0.000000000000000, 0.396467090000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.365959560000000, 0.333333333333333, 0.396467090000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.365959560000000, 0.666666666666667, 0.396467090000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.365959560000000, 0.000000000000000, 0.896467090000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.365959560000000, 0.333333333333333, 0.896467090000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 102 coordinates: [ 0.365959560000000, 0.666666666666667, 0.896467090000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 103 coordinates: [ 0.357768340000000, 0.166666666666667, 0.245893935000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.357768340000000, 0.500000000000000, 0.245893935000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.357768340000000, 0.833333333333333, 0.245893935000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 106 coordinates: [ 0.357768340000000, 0.166666666666667, 0.745893935000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 107 coordinates: [ 0.357768340000000, 0.500000000000000, 0.745893935000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 108 coordinates: [ 0.357768340000000, 0.833333333333333, 0.745893935000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 109 coordinates: [ 0.142231660000000, 0.000000000000000, 0.254106065000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.142231660000000, 0.333333333333333, 0.254106065000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.142231660000000, 0.666666666666667, 0.254106065000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.142231660000000, 0.000000000000000, 0.754106065000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.142231660000000, 0.333333333333333, 0.754106065000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 114 coordinates: [ 0.142231660000000, 0.666666666666667, 0.754106065000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 115 coordinates: [ 0.134040440000000, 0.166666666666667, 0.103532910000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.134040440000000, 0.500000000000000, 0.103532910000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.134040440000000, 0.833333333333333, 0.103532910000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 118 coordinates: [ 0.134040440000000, 0.166666666666667, 0.603532910000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 119 coordinates: [ 0.134040440000000, 0.500000000000000, 0.603532910000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 120 coordinates: [ 0.134040440000000, 0.833333333333333, 0.603532910000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 121 coordinates: [ 0.865959560000000, 0.166666666666667, 0.396467090000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 122 coordinates: [ 0.865959560000000, 0.500000000000000, 0.396467090000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 123 coordinates: [ 0.865959560000000, 0.833333333333333, 0.396467090000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 124 coordinates: [ 0.865959560000000, 0.166666666666667, 0.896467090000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 125 coordinates: [ 0.865959560000000, 0.500000000000000, 0.896467090000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 126 coordinates: [ 0.865959560000000, 0.833333333333333, 0.896467090000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 127 coordinates: [ 0.857768340000000, 0.000000000000000, 0.245893935000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 128 coordinates: [ 0.857768340000000, 0.333333333333333, 0.245893935000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 129 coordinates: [ 0.857768340000000, 0.666666666666667, 0.245893935000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 130 coordinates: [ 0.857768340000000, 0.000000000000000, 0.745893935000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 131 coordinates: [ 0.857768340000000, 0.333333333333333, 0.745893935000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 132 coordinates: [ 0.857768340000000, 0.666666666666667, 0.745893935000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 133 coordinates: [ 0.642231660000000, 0.166666666666667, 0.254106065000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 134 coordinates: [ 0.642231660000000, 0.500000000000000, 0.254106065000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 135 coordinates: [ 0.642231660000000, 0.833333333333333, 0.254106065000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 136 coordinates: [ 0.642231660000000, 0.166666666666667, 0.754106065000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 137 coordinates: [ 0.642231660000000, 0.500000000000000, 0.754106065000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 138 coordinates: [ 0.642231660000000, 0.833333333333333, 0.754106065000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 139 coordinates: [ 0.634040440000000, 0.000000000000000, 0.103532910000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 140 coordinates: [ 0.634040440000000, 0.333333333333333, 0.103532910000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 141 coordinates: [ 0.634040440000000, 0.666666666666667, 0.103532910000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 142 coordinates: [ 0.634040440000000, 0.000000000000000, 0.603532910000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 143 coordinates: [ 0.634040440000000, 0.333333333333333, 0.603532910000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 144 coordinates: [ 0.634040440000000, 0.666666666666667, 0.603532910000000 ] mass: 15.999400 reduced_to: 115born_effective_charge:- # 1 (Nb) - [ 8.193862409999999, -0.000000000000000, 0.272238360000000 ] - [ -0.000000000000000, 8.405491700000001, 0.000000000000000 ] - [ 0.220014250000000, 0.000000000000000, 8.041836280000000 ]- # 2 (Nb) - [ 7.610181030000000, 0.000000000000000, -0.274863880000000 ] - [ 0.000000000000000, 7.262856720000000, -0.000000000000000 ] - [ -0.638199620000000, -0.000000000000000, 7.732746780000001 ]- # 3 (Nb) - [ 7.610181030000000, 0.000000000000000, -0.274863880000000 ] - [ 0.000000000000000, 7.262856720000000, -0.000000000000000 ] - [ -0.638199620000000, -0.000000000000000, 7.732746780000002 ]- # 4 (Nb) - [ 8.193862409999999, -0.000000000000000, 0.272238360000000 ] - [ -0.000000000000000, 8.405491700000001, 0.000000000000000 ] - [ 0.220014250000000, 0.000000000000000, 8.041836280000000 ]- # 5 (N) - [ -8.392457540000001, -0.000000000000000, 0.093748410000000 ] - [ -0.000000000000001, -0.975489200000000, 0.000000000000000 ] - [ -0.352012320000000, -0.000000000000000, -2.897101550000000 ]- # 6 (N) - [ -3.634260470000000, 0.000000000000000, -0.552239320000000 ] - [ 0.000000000000000, -6.288295620000000, -0.000000000000000 ] - [ 0.138768470000000, 0.000000000000000, -2.688009540000000 ]- # 7 (N) - [ -3.634260470000000, 0.000000000000000, -0.552239320000000 ] - [ 0.000000000000000, -6.288295620000000, -0.000000000000000 ] - [ 0.138768470000000, 0.000000000000000, -2.688009540000000 ]- # 8 (N) - [ -8.392457540000001, -0.000000000000001, 0.093748410000000 ] - [ -0.000000000000001, -0.975489200000000, 0.000000000000000 ] - [ -0.352012320000000, -0.000000000000000, -2.897101550000000 ]- # 9 (O) - [ -2.720765720000000, 0.000000000000000, 0.201644170000000 ] - [ 0.000000000000000, -7.017841590000000, 0.000000000000000 ] - [ 0.259957320000000, 0.000000000000000, -1.265093090000000 ]- # 10 (O) - [ -1.056559710000000, 0.000000000000000, 0.259472270000000 ] - [ 0.000000000000000, -1.386722010000000, 0.000000000000000 ] - [ 0.371471890000000, 0.000000000000000, -8.924378870000000 ]- # 11 (O) - [ -1.056559710000000, 0.000000000000000, 0.259472270000000 ] - [ 0.000000000000000, -1.386722010000000, 0.000000000000000 ] - [ 0.371471890000000, 0.000000000000000, -8.924378870000000 ]- # 12 (O) - [ -2.720765720000000, 0.000000000000000, 0.201644170000000 ] - [ 0.000000000000001, -7.017841590000000, 0.000000000000000 ] - [ 0.259957320000000, 0.000000000000000, -1.265093090000000 ]dielectric_constant: - [ 10.498592049999999, 0.000000000000000, -0.122893350000000 ] - [ 0.000000000000000, 9.202203660000000, 0.000000000000000 ] - [ -0.122887920000000, 0.000000000000000, 8.432326570000001 ]displacements:- atom: 1 displacement: [ 0.0099999556214383, 0.0000000000000000, -0.0000297921007044 ] forces: - [ -0.2272620800000000, 0.0000000000000000, 0.0000506900000000 ] - [ -0.0107526600000000, -0.0123186200000000, 0.0004004700000000 ] - [ -0.0107526600000000, 0.0123186200000000, 0.0004004700000000 ] - [ -0.0031389900000000, 0.0000000000000000, -0.0034935000000000 ] - [ -0.0028945700000000, 0.0003179100000000, -0.0022398600000000 ] - [ -0.0028945700000000, -0.0003179100000000, -0.0022398600000000 ] - [ -0.0074811100000000, 0.0000000000000000, -0.0126039000000000 ] - [ -0.0036607100000000, 0.0008083300000000, -0.0051822800000000 ] - [ -0.0036607100000000, -0.0008083300000000, -0.0051822800000000 ] - [ -0.0046467800000000, 0.0000000000000000, -0.0460868000000000 ] - [ -0.0042128800000000, -0.0023458600000000, -0.0127554900000000 ] - [ -0.0042128800000000, 0.0023458600000000, -0.0127554900000000 ] - [ 0.0264313100000000, 0.0396888400000000, 0.0088260400000000 ] - [ 0.0264313100000000, -0.0396888400000000, 0.0088260400000000 ] - [ 0.0068068900000000, 0.0000000000000000, 0.0098127400000000 ] - [ 0.0020117900000000, -0.0005829800000000, 0.0074549000000000 ] - [ 0.0020117900000000, 0.0005829800000000, 0.0074549000000000 ] - [ 0.0020791500000000, 0.0000000000000000, 0.0081117700000000 ] - [ 0.0025349600000000, 0.0011323100000000, 0.0100445100000000 ] - [ 0.0025349600000000, -0.0011323100000000, 0.0100445100000000 ] - [ 0.0031654900000000, 0.0000000000000000, 0.0026222500000000 ] - [ 0.0086384800000000, 0.0003125100000000, -0.0030303400000000 ] - [ 0.0086384800000000, -0.0003125100000000, -0.0030303400000000 ] - [ 0.0054479700000000, 0.0000000000000000, -0.0005738400000000 ] - [ 0.0150162600000000, -0.0029767100000000, 0.0013783500000000 ] - [ 0.0150162600000000, 0.0029767100000000, 0.0013783500000000 ] - [ 0.0030022200000000, 0.0000000000000000, 0.0001760400000000 ] - [ -0.0004184800000000, -0.0004103400000000, 0.0032359500000000 ] - [ -0.0004184800000000, 0.0004103400000000, 0.0032359500000000 ] - [ -0.0005495800000000, 0.0000000000000000, 0.0013499500000000 ] - [ 0.0009892800000000, -0.0011433000000000, -0.0083820600000000 ] - [ 0.0009892800000000, 0.0011433000000000, -0.0083820600000000 ] - [ -0.0003785500000000, 0.0000000000000000, -0.0081307700000000 ] - [ 0.0034980700000000, -0.0063055600000000, -0.0015714500000000 ] - [ 0.0034980700000000, 0.0063055600000000, -0.0015714500000000 ] - [ 0.0006851700000000, 0.0000000000000000, -0.0069912000000000 ] - [ 0.0826613500000000, 0.0000000000000000, -0.0026621700000000 ] - [ -0.0004930900000000, 0.0088460200000000, 0.0071298700000000 ] - [ -0.0004930900000000, -0.0088460200000000, 0.0071298700000000 ] - [ 0.0021513800000000, 0.0000000000000000, 0.0109324800000000 ] - [ 0.0013796500000000, 0.0005174500000000, 0.0092288900000000 ] - [ 0.0013796500000000, -0.0005174500000000, 0.0092288900000000 ] - [ 0.0020692000000000, 0.0000000000000000, -0.0161717600000000 ] - [ 0.0006771600000000, 0.0019374700000000, -0.0023895200000000 ] - [ 0.0006771600000000, -0.0019374700000000, -0.0023895200000000 ] - [ -0.0172313100000000, 0.0000000000000000, 0.0384883100000000 ] - [ -0.0044666000000000, 0.0056779900000000, -0.0001501000000000 ] - [ -0.0044666000000000, -0.0056779900000000, -0.0001501000000000 ] - [ 0.0034969100000000, 0.0000000000000000, 0.0045479000000000 ] - [ 0.0007172100000000, -0.0002043000000000, 0.0027057100000000 ] - [ 0.0007172100000000, 0.0002043000000000, 0.0027057100000000 ] - [ 0.0338354900000000, 0.0000000000000000, 0.0058856500000000 ] - [ 0.0043222700000000, 0.0007313700000000, 0.0047550300000000 ] - [ 0.0043222700000000, -0.0007313700000000, 0.0047550300000000 ] - [ -0.0116675200000000, 0.0000000000000000, -0.0008448800000000 ] - [ -0.0072578000000000, 0.0066609900000000, -0.0004817900000000 ] - [ -0.0072578000000000, -0.0066609900000000, -0.0004817900000000 ] - [ -0.0097853000000000, 0.0000000000000000, -0.0009858900000000 ] - [ -0.0103952200000000, -0.0002246200000000, -0.0019375700000000 ] - [ -0.0103952200000000, 0.0002246200000000, -0.0019375700000000 ] - [ 0.0117565900000000, 0.0014286500000000, 0.0018569300000000 ] - [ 0.0117565900000000, -0.0014286500000000, 0.0018569300000000 ] - [ 0.0106985400000000, 0.0000000000000000, 0.0012597000000000 ] - [ 0.0078734700000000, -0.0041328400000000, 0.0074943300000000 ] - [ 0.0078734700000000, 0.0041328400000000, 0.0074943300000000 ] - [ 0.0089977900000000, 0.0000000000000000, 0.0032355800000000 ] - [ -0.0156524000000000, -0.0005931300000000, -0.0011764700000000 ] - [ -0.0156524000000000, 0.0005931300000000, -0.0011764700000000 ] - [ -0.0033372400000000, 0.0000000000000000, -0.0022050400000000 ] - [ 0.0003227300000000, -0.0000363600000000, -0.0036227600000000 ] - [ 0.0003227300000000, 0.0000363600000000, -0.0036227600000000 ] - [ 0.0004518100000000, 0.0000000000000000, -0.0030687500000000 ] - [ -0.0046451300000000, 0.0000307900000000, 0.0013114900000000 ] - [ -0.0046451300000000, -0.0000307900000000, 0.0013114900000000 ] - [ -0.0033125300000000, 0.0000000000000000, 0.0018746000000000 ] - [ -0.0092613600000000, 0.0006929100000000, 0.0020422100000000 ] - [ -0.0092613600000000, -0.0006929100000000, 0.0020422100000000 ] - [ -0.0051346900000000, 0.0000000000000000, 0.0022522800000000 ] - [ -0.0195688200000000, 0.0164794000000000, -0.0052804400000000 ] - [ -0.0195688200000000, -0.0164794000000000, -0.0052804400000000 ] - [ -0.0130961900000000, 0.0000000000000000, -0.0023329100000000 ] - [ -0.0111062700000000, 0.0008151900000000, -0.0022025600000000 ] - [ -0.0111062700000000, -0.0008151900000000, -0.0022025600000000 ] - [ -0.0110323200000000, 0.0000000000000000, -0.0020822400000000 ] - [ 0.0086634000000000, 0.0000000000000000, 0.0014814200000000 ] - [ 0.0104100500000000, -0.0004272700000000, 0.0016991800000000 ] - [ 0.0104100500000000, 0.0004272700000000, 0.0016991800000000 ] - [ 0.0069091900000000, 0.0000000000000000, -0.0100297500000000 ] - [ 0.0120908600000000, -0.0030793700000000, 0.0007665100000000 ] - [ 0.0120908600000000, 0.0030793700000000, 0.0007665100000000 ] - [ 0.0790679000000000, 0.0000000000000000, 0.0191091600000000 ] - [ 0.0093618400000000, -0.0008974500000000, -0.0016467700000000 ] - [ 0.0093618400000000, 0.0008974500000000, -0.0016467700000000 ] - [ 0.0025297100000000, 0.0000000000000000, -0.0007250700000000 ] - [ 0.0026801500000000, -0.0001405200000000, -0.0018212300000000 ] - [ 0.0026801500000000, 0.0001405200000000, -0.0018212300000000 ] - [ 0.0219557500000000, 0.0199593200000000, 0.0022679900000000 ] - [ 0.0219557500000000, -0.0199593200000000, 0.0022679900000000 ] - [ 0.0057011300000000, 0.0000000000000000, 0.0008808100000000 ] - [ 0.0052120300000000, 0.0004248700000000, 0.0014481300000000 ] - [ 0.0052120300000000, -0.0004248700000000, 0.0014481300000000 ] - [ 0.0052057600000000, 0.0000000000000000, 0.0013363500000000 ] - [ 0.0148058200000000, 0.0000000000000000, -0.0106707000000000 ] - [ 0.0031058300000000, 0.0010903900000000, -0.0047766300000000 ] - [ 0.0031058300000000, -0.0010903900000000, -0.0047766300000000 ] - [ 0.0008655400000000, 0.0000000000000000, 0.0062499100000000 ] - [ 0.0019147300000000, 0.0002475200000000, 0.0030958800000000 ] - [ 0.0019147300000000, -0.0002475200000000, 0.0030958800000000 ] - [ -0.0030535500000000, -0.0030228000000000, -0.0101973700000000 ] - [ -0.0030535500000000, 0.0030228000000000, -0.0101973700000000 ] - [ -0.0020814400000000, 0.0000000000000000, -0.0024249700000000 ] - [ -0.0023260200000000, -0.0000169100000000, 0.0016474700000000 ] - [ -0.0023260200000000, 0.0000169100000000, 0.0016474700000000 ] - [ -0.0020876400000000, 0.0000000000000000, 0.0006593000000000 ] - [ -0.0038791100000000, 0.0000000000000000, -0.0025740500000000 ] - [ -0.0046312900000000, 0.0011368900000000, -0.0019250200000000 ] - [ -0.0046312900000000, -0.0011368900000000, -0.0019250200000000 ] - [ -0.0060614600000000, 0.0000000000000000, 0.0004102200000000 ] - [ -0.0061563400000000, 0.0006107600000000, -0.0004382100000000 ] - [ -0.0061563400000000, -0.0006107600000000, -0.0004382100000000 ] - [ -0.0042644900000000, 0.0000000000000000, 0.0017875300000000 ] - [ 0.0030476800000000, -0.0007932000000000, 0.0012950000000000 ] - [ 0.0030476800000000, 0.0007932000000000, 0.0012950000000000 ] - [ 0.0048282800000000, 0.0000000000000000, 0.0006387500000000 ] - [ 0.0049804000000000, -0.0004201100000000, 0.0007913900000000 ] - [ 0.0049804000000000, 0.0004201100000000, 0.0007913900000000 ] - [ 0.0006607100000000, 0.0003907500000000, -0.0000007100000000 ] - [ 0.0006607100000000, -0.0003907500000000, -0.0000007100000000 ] - [ 0.0014304000000000, 0.0000000000000000, -0.0001828500000000 ] - [ 0.0016318300000000, 0.0005376400000000, -0.0041212800000000 ] - [ 0.0016318300000000, -0.0005376400000000, -0.0041212800000000 ] - [ 0.0016913000000000, 0.0000000000000000, -0.0013670700000000 ] - [ -0.0067154000000000, 0.0000000000000000, 0.0213292400000000 ] - [ -0.0019393100000000, -0.0009495500000000, 0.0021706200000000 ] - [ -0.0019393100000000, 0.0009495500000000, 0.0021706200000000 ] - [ -0.0002807900000000, 0.0000000000000000, -0.0093371500000000 ] - [ -0.0013749600000000, -0.0006385000000000, -0.0011378300000000 ] - [ -0.0013749600000000, 0.0006385000000000, -0.0011378300000000 ] - [ -0.0058396000000000, 0.0026187900000000, -0.0000760400000000 ] - [ -0.0058396000000000, -0.0026187900000000, -0.0000760400000000 ] - [ -0.0054233900000000, 0.0000000000000000, -0.0007935800000000 ] - [ -0.0049381100000000, 0.0077496500000000, -0.0048983500000000 ] - [ -0.0049381100000000, -0.0077496500000000, -0.0048983500000000 ] - [ -0.0047517000000000, 0.0000000000000000, -0.0013531700000000 ]- atom: 1 displacement: [ -0.0099999556214383, 0.0000000000000000, 0.0000297921007044 ] forces: - [ 0.2169480200000000, 0.0000000000000000, -0.0030603000000000 ] - [ 0.0072020700000000, 0.0121614700000000, -0.0005046700000000 ] - [ 0.0072020700000000, -0.0121614700000000, -0.0005046700000000 ] - [ -0.0005029100000000, 0.0000000000000000, 0.0036421100000000 ] - [ -0.0007488400000000, -0.0003161000000000, 0.0022152900000000 ] - [ -0.0007488400000000, 0.0003161000000000, 0.0022152900000000 ] - [ 0.0035791200000000, 0.0000000000000000, -0.0031896200000000 ] - [ -0.0001469400000000, -0.0008563700000000, -0.0115270000000000 ] - [ -0.0001469400000000, 0.0008563700000000, -0.0115270000000000 ] - [ 0.0002754100000000, 0.0000000000000000, 0.0299799400000000 ] - [ 0.0004830200000000, 0.0023988700000000, -0.0039749700000000 ] - [ 0.0004830200000000, -0.0023988700000000, -0.0039749700000000 ] - [ -0.0226144000000000, -0.0401375900000000, 0.0078768200000000 ] - [ -0.0226144000000000, 0.0401375900000000, 0.0078768200000000 ] - [ -0.0029999700000000, 0.0000000000000000, 0.0069045400000000 ] - [ 0.0017860100000000, 0.0005901900000000, 0.0093928100000000 ] - [ 0.0017860100000000, -0.0005901900000000, 0.0093928100000000 ] - [ 0.0017202200000000, 0.0000000000000000, 0.0086979200000000 ] - [ 0.0011706200000000, -0.0010934100000000, -0.0100628900000000 ] - [ 0.0011706200000000, 0.0010934100000000, -0.0100628900000000 ] - [ 0.0004931700000000, 0.0000000000000000, -0.0025805900000000 ] - [ -0.0050549000000000, -0.0003228800000000, 0.0031573900000000 ] - [ -0.0050549000000000, 0.0003228800000000, 0.0031573900000000 ] - [ -0.0018359600000000, 0.0000000000000000, 0.0006690600000000 ] - [ -0.0186431400000000, 0.0029552300000000, -0.0014751300000000 ] - [ -0.0186431400000000, -0.0029552300000000, -0.0014751300000000 ] - [ -0.0066536100000000, 0.0000000000000000, -0.0002617900000000 ] - [ -0.0032031500000000, 0.0004077900000000, -0.0032711400000000 ] - [ -0.0032031500000000, -0.0004077900000000, -0.0032711400000000 ] - [ -0.0030799000000000, 0.0000000000000000, -0.0014042500000000 ] - [ -0.0047838600000000, 0.0011562000000000, -0.0084068000000000 ] - [ -0.0047838600000000, -0.0011562000000000, -0.0084068000000000 ] - [ -0.0034164600000000, 0.0000000000000000, -0.0086524900000000 ] - [ -0.0072918600000000, 0.0062419200000000, -0.0151694300000000 ] - [ -0.0072918600000000, -0.0062419200000000, -0.0151694300000000 ] - [ -0.0044835500000000, 0.0000000000000000, -0.0097655900000000 ] - [ -0.0780328500000000, 0.0000000000000000, 0.0192796300000000 ] - [ 0.0042700900000000, -0.0088129200000000, 0.0096190500000000 ] - [ 0.0042700900000000, 0.0088129200000000, 0.0096190500000000 ] - [ 0.0016419000000000, 0.0000000000000000, 0.0058921100000000 ] - [ 0.0024080000000000, -0.0005159800000000, 0.0075511700000000 ] - [ 0.0024080000000000, 0.0005159800000000, 0.0075511700000000 ] - [ 0.0014271500000000, 0.0000000000000000, 0.0161161000000000 ] - [ 0.0029347100000000, -0.0019426800000000, 0.0024474100000000 ] - [ 0.0029347100000000, 0.0019426800000000, 0.0024474100000000 ] - [ 0.0211087000000000, 0.0000000000000000, -0.0379835000000000 ] - [ 0.0080900000000000, -0.0056564200000000, 0.0002166600000000 ] - [ 0.0080900000000000, 0.0056564200000000, 0.0002166600000000 ] - [ -0.0061276300000000, 0.0000000000000000, 0.0001447900000000 ] - [ -0.0035667300000000, 0.0002054900000000, 0.0020828700000000 ] - [ -0.0035667300000000, -0.0002054900000000, 0.0020828700000000 ] - [ -0.0365134100000000, 0.0000000000000000, -0.0019042700000000 ] - [ -0.0072463600000000, -0.0007234400000000, 0.0000914900000000 ] - [ -0.0072463600000000, 0.0007234400000000, 0.0000914900000000 ] - [ -0.0118878000000000, 0.0000000000000000, -0.0022603900000000 ] - [ -0.0139838000000000, -0.0067574000000000, -0.0031414000000000 ] - [ -0.0139838000000000, 0.0067574000000000, -0.0031414000000000 ] - [ -0.0113805300000000, 0.0000000000000000, -0.0026941800000000 ] - [ -0.0107835900000000, 0.0002347900000000, -0.0017031900000000 ] - [ -0.0107835900000000, -0.0002347900000000, -0.0017031900000000 ] - [ 0.0093864500000000, -0.0015081100000000, 0.0016964000000000 ] - [ 0.0093864500000000, 0.0015081100000000, 0.0016964000000000 ] - [ 0.0104613100000000, 0.0000000000000000, 0.0023437100000000 ] - [ 0.0133294400000000, 0.0042668000000000, -0.0039498400000000 ] - [ 0.0133294400000000, -0.0042668000000000, -0.0039498400000000 ] - [ 0.0122000300000000, 0.0000000000000000, 0.0003690500000000 ] - [ 0.0185325300000000, 0.0005869000000000, -0.0036342000000000 ] - [ 0.0185325300000000, -0.0005869000000000, -0.0036342000000000 ] - [ 0.0062314400000000, 0.0000000000000000, -0.0025948800000000 ] - [ 0.0025298000000000, 0.0000335800000000, -0.0011839900000000 ] - [ 0.0025298000000000, -0.0000335800000000, -0.0011839900000000 ] - [ 0.0024146200000000, 0.0000000000000000, -0.0017310500000000 ] - [ 0.0017552000000000, -0.0000330700000000, 0.0034886700000000 ] - [ 0.0017552000000000, 0.0000330700000000, 0.0034886700000000 ] - [ 0.0004305800000000, 0.0000000000000000, 0.0029246400000000 ] - [ 0.0063881100000000, -0.0006886000000000, 0.0027588500000000 ] - [ 0.0063881100000000, 0.0006886000000000, 0.0027588500000000 ] - [ 0.0022658100000000, 0.0000000000000000, 0.0025483600000000 ] - [ -0.0016501700000000, -0.0164157800000000, 0.0016691100000000 ] - [ -0.0016501700000000, 0.0164157800000000, 0.0016691100000000 ] - [ -0.0080910300000000, 0.0000000000000000, -0.0012871100000000 ] - [ -0.0100774100000000, -0.0008145100000000, -0.0014234400000000 ] - [ -0.0100774100000000, 0.0008145100000000, -0.0014234400000000 ] - [ -0.0101515900000000, 0.0000000000000000, -0.0015407000000000 ] - [ 0.0125604500000000, 0.0000000000000000, 0.0021346300000000 ] - [ 0.0107757800000000, 0.0004289900000000, 0.0019188800000000 ] - [ 0.0107757800000000, -0.0004289900000000, 0.0019188800000000 ] - [ 0.0141612700000000, 0.0000000000000000, 0.0135494000000000 ] - [ 0.0091038700000000, 0.0030623300000000, 0.0028565600000000 ] - [ 0.0091038700000000, -0.0030623300000000, 0.0028565600000000 ] - [ -0.0688934700000000, 0.0000000000000000, -0.0218908300000000 ] - [ -0.0064213600000000, 0.0008770800000000, -0.0031407200000000 ] - [ -0.0064213600000000, -0.0008770800000000, -0.0031407200000000 ] - [ 0.0003568600000000, 0.0000000000000000, -0.0041170900000000 ] - [ 0.0002040700000000, 0.0001400500000000, -0.0029847100000000 ] - [ 0.0002040700000000, -0.0001400500000000, -0.0029847100000000 ] - [ -0.0112144200000000, -0.0202091000000000, -0.0000192900000000 ] - [ -0.0112144200000000, 0.0202091000000000, -0.0000192900000000 ] - [ 0.0043756600000000, 0.0000000000000000, 0.0013112000000000 ] - [ 0.0049800700000000, -0.0004249400000000, 0.0007020600000000 ] - [ 0.0049800700000000, 0.0004249400000000, 0.0007020600000000 ] - [ 0.0049868200000000, 0.0000000000000000, 0.0008222400000000 ] - [ -0.0110033000000000, 0.0000000000000000, 0.0105441500000000 ] - [ 0.0006137400000000, -0.0010678700000000, 0.0047114200000000 ] - [ 0.0006137400000000, 0.0010678700000000, 0.0047114200000000 ] - [ 0.0029519400000000, 0.0000000000000000, -0.0065100500000000 ] - [ 0.0018006300000000, -0.0002539900000000, -0.0031372400000000 ] - [ 0.0018006300000000, 0.0002539900000000, -0.0031372400000000 ] - [ -0.0006868300000000, 0.0030671500000000, 0.0103273800000000 ] - [ -0.0006868300000000, -0.0030671500000000, 0.0103273800000000 ] - [ -0.0016420600000000, 0.0000000000000000, 0.0024606900000000 ] - [ -0.0013804400000000, 0.0000187000000000, -0.0017289400000000 ] - [ -0.0013804400000000, -0.0000187000000000, -0.0017289400000000 ] - [ -0.0016249200000000, 0.0000000000000000, -0.0007078500000000 ] - [ -0.0063815200000000, 0.0000000000000000, 0.0003837000000000 ] - [ -0.0055680500000000, -0.0011345600000000, -0.0002352700000000 ] - [ -0.0055680500000000, 0.0011345600000000, -0.0002352700000000 ] - [ -0.0041138600000000, 0.0000000000000000, -0.0025878000000000 ] - [ -0.0040192900000000, -0.0006238500000000, -0.0017340300000000 ] - [ -0.0040192900000000, 0.0006238500000000, -0.0017340300000000 ] - [ 0.0144200300000000, 0.0000000000000000, 0.0003972000000000 ] - [ 0.0071419100000000, 0.0007908400000000, 0.0008756500000000 ] - [ 0.0071419100000000, -0.0007908400000000, 0.0008756500000000 ] - [ 0.0053562400000000, 0.0000000000000000, 0.0015209800000000 ] - [ 0.0052069900000000, 0.0004189200000000, 0.0013727500000000 ] - [ 0.0052069900000000, -0.0004189200000000, 0.0013727500000000 ] - [ 0.0030561000000000, -0.0003884800000000, 0.0000364400000000 ] - [ 0.0030561000000000, 0.0003884800000000, 0.0000364400000000 ] - [ 0.0022846200000000, 0.0000000000000000, 0.0002124100000000 ] - [ 0.0020828000000000, -0.0005314600000000, 0.0040924500000000 ] - [ 0.0020828000000000, 0.0005314600000000, 0.0040924500000000 ] - [ 0.0020248600000000, 0.0000000000000000, 0.0013565900000000 ] - [ 0.0029199700000000, 0.0000000000000000, -0.0212086400000000 ] - [ -0.0017726500000000, 0.0009493100000000, -0.0021591000000000 ] - [ -0.0017726500000000, -0.0009493100000000, -0.0021591000000000 ] - [ -0.0034944300000000, 0.0000000000000000, 0.0092499400000000 ] - [ -0.0023399400000000, 0.0006353200000000, 0.0011253300000000 ] - [ -0.0023399400000000, -0.0006353200000000, 0.0011253300000000 ] - [ -0.0043377800000000, -0.0026289600000000, -0.0020871300000000 ] - [ -0.0043377800000000, 0.0026289600000000, -0.0020871300000000 ] - [ -0.0047575000000000, 0.0000000000000000, -0.0013713400000000 ] - [ -0.0052447900000000, -0.0077310900000000, 0.0027034100000000 ] - [ -0.0052447900000000, 0.0077310900000000, 0.0027034100000000 ] - [ -0.0054305200000000, 0.0000000000000000, -0.0008143600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002336700000000, -0.2361535300000000, -0.0001964500000000 ] - [ 0.0104676500000000, 0.1003624300000000, -0.0002815200000000 ] - [ -0.0140096500000000, 0.0996946100000000, 0.0002681400000000 ] - [ -0.0018165600000000, -0.0014685100000000, 0.0000286300000000 ] - [ -0.0021321600000000, 0.0007155000000000, 0.0006172700000000 ] - [ -0.0015015700000000, 0.0007098400000000, -0.0006495100000000 ] - [ -0.0018977000000000, -0.0048678500000000, -0.0081353200000000 ] - [ -0.0025307100000000, 0.0026588300000000, -0.0234402800000000 ] - [ -0.0012662500000000, 0.0026898800000000, 0.0066361800000000 ] - [ -0.0019006600000000, -0.0099021900000000, -0.0083057100000000 ] - [ -0.0074508900000000, 0.0029373700000000, -0.0040813500000000 ] - [ 0.0036505500000000, 0.0029101700000000, -0.0126108400000000 ] - [ 0.0438158400000000, -0.0049996300000000, 0.0019511900000000 ] - [ -0.0405280300000000, -0.0047870500000000, 0.0148346300000000 ] - [ 0.0018843800000000, 0.0112829700000000, 0.0083658100000000 ] - [ 0.0014498400000000, -0.0009067800000000, 0.0086571400000000 ] - [ 0.0023344100000000, -0.0008887900000000, 0.0081596600000000 ] - [ 0.0018960300000000, 0.0017309900000000, 0.0083947300000000 ] - [ 0.0029649600000000, -0.0014938700000000, 0.0064557500000000 ] - [ 0.0007008500000000, -0.0015100700000000, -0.0064674300000000 ] - [ 0.0018201100000000, 0.0032930600000000, 0.0000173900000000 ] - [ 0.0021046900000000, -0.0013314400000000, -0.0019403800000000 ] - [ 0.0014799400000000, -0.0013070400000000, 0.0020422800000000 ] - [ 0.0017955600000000, 0.0029004200000000, 0.0000416700000000 ] - [ 0.0010859700000000, -0.0014696900000000, 0.0010231100000000 ] - [ -0.0048531600000000, -0.0014789100000000, -0.0011120100000000 ] - [ -0.0018350700000000, 0.0029025400000000, -0.0000357800000000 ] - [ -0.0014075500000000, -0.0005403700000000, 0.0000598400000000 ] - [ -0.0022262300000000, -0.0005360400000000, -0.0001328900000000 ] - [ -0.0018192700000000, 0.0010417300000000, -0.0000373000000000 ] - [ -0.0009828700000000, -0.0007427900000000, -0.0072126000000000 ] - [ -0.0028180500000000, -0.0007421200000000, -0.0095593000000000 ] - [ -0.0018988500000000, 0.0015160600000000, -0.0083878900000000 ] - [ -0.0019454700000000, -0.0012511300000000, -0.0094380200000000 ] - [ -0.0018858300000000, -0.0012236800000000, -0.0073943400000000 ] - [ -0.0019073000000000, 0.0030898200000000, -0.0083873600000000 ] - [ 0.0016479800000000, -0.0062435900000000, 0.0083792600000000 ] - [ 0.0130466100000000, 0.0024168500000000, 0.0073253600000000 ] - [ -0.0091885500000000, 0.0024817800000000, 0.0094431500000000 ] - [ 0.0019003100000000, -0.0011313900000000, 0.0083988300000000 ] - [ 0.0025368200000000, 0.0005975500000000, 0.0098147100000000 ] - [ 0.0012553200000000, 0.0005958100000000, 0.0069480000000000 ] - [ 0.0017989600000000, -0.0019428600000000, 0.0000620200000000 ] - [ 0.0037484800000000, 0.0009350200000000, -0.0015399600000000 ] - [ -0.0001206700000000, 0.0009401300000000, 0.0016209200000000 ] - [ 0.0019374400000000, -0.0087059300000000, -0.0000652600000000 ] - [ 0.0075481000000000, 0.0038385300000000, 0.0062402200000000 ] - [ -0.0038227800000000, 0.0038746800000000, -0.0061468900000000 ] - [ -0.0014167600000000, 0.0005944200000000, 0.0023657000000000 ] - [ -0.0031854300000000, -0.0001604500000000, 0.0036892900000000 ] - [ 0.0003147200000000, -0.0001598900000000, 0.0011081900000000 ] - [ -0.0014694400000000, 0.0083711000000000, 0.0020653400000000 ] - [ -0.0010380100000000, -0.0049374400000000, -0.0049613300000000 ] - [ -0.0018850400000000, -0.0048948300000000, 0.0097328000000000 ] - [ -0.0102009000000000, 0.0197145300000000, -0.0020446100000000 ] - [ -0.0016556000000000, -0.0096667700000000, -0.0045631700000000 ] - [ -0.0195041800000000, -0.0095455700000000, 0.0009050300000000 ] - [ -0.0105863700000000, 0.0015449300000000, -0.0018108600000000 ] - [ -0.0100619000000000, -0.0009166000000000, -0.0005896100000000 ] - [ -0.0111202900000000, -0.0009219800000000, -0.0030425300000000 ] - [ 0.0107853800000000, 0.0023203500000000, 0.0003853000000000 ] - [ 0.0103696100000000, 0.0023845100000000, 0.0031941200000000 ] - [ 0.0105841300000000, -0.0053178100000000, 0.0018140900000000 ] - [ 0.0086751700000000, 0.0031178100000000, 0.0035933100000000 ] - [ 0.0125295900000000, 0.0031119600000000, 0.0000108800000000 ] - [ 0.0106027400000000, -0.0060118000000000, 0.0017989100000000 ] - [ -0.0077526100000000, 0.0004024000000000, 0.0000750300000000 ] - [ 0.0107703100000000, 0.0003687000000000, -0.0048645500000000 ] - [ 0.0014578600000000, -0.0005592600000000, -0.0024010400000000 ] - [ 0.0012623600000000, 0.0001548000000000, -0.0028552300000000 ] - [ 0.0016129800000000, 0.0001563200000000, -0.0019451300000000 ] - [ 0.0014404000000000, -0.0003260400000000, -0.0023975300000000 ] - [ -0.0028750900000000, 0.0001167800000000, 0.0016083300000000 ] - [ -0.0000004800000000, 0.0001170700000000, 0.0031990000000000 ] - [ -0.0014361700000000, -0.0002516000000000, 0.0024014800000000 ] - [ -0.0021766300000000, 0.0000930500000000, 0.0031633100000000 ] - [ -0.0006519700000000, 0.0000954500000000, 0.0016446800000000 ] - [ -0.0014224300000000, -0.0005282600000000, 0.0024009000000000 ] - [ -0.0104861100000000, 0.0031121400000000, -0.0015354900000000 ] - [ -0.0106431600000000, 0.0032810900000000, -0.0020304000000000 ] - [ -0.0105842800000000, -0.0061135000000000, -0.0018042400000000 ] - [ -0.0108859300000000, 0.0005478300000000, -0.0019708300000000 ] - [ -0.0102955500000000, 0.0005465600000000, -0.0016488900000000 ] - [ -0.0105911900000000, -0.0011397200000000, -0.0018096200000000 ] - [ 0.0105941900000000, 0.0012221400000000, 0.0018075400000000 ] - [ 0.0099346000000000, -0.0006296400000000, 0.0017618000000000 ] - [ 0.0112498900000000, -0.0006285900000000, 0.0018566600000000 ] - [ 0.0105461200000000, 0.0028430300000000, 0.0018143500000000 ] - [ 0.0087289700000000, -0.0011320500000000, 0.0010795400000000 ] - [ 0.0124462600000000, -0.0011498500000000, 0.0025586200000000 ] - [ 0.0014213700000000, 0.0109667700000000, -0.0024787900000000 ] - [ -0.0152308800000000, -0.0041773400000000, -0.0055509400000000 ] - [ 0.0180674900000000, -0.0041207100000000, 0.0007626300000000 ] - [ 0.0014344000000000, 0.0001945200000000, -0.0024150900000000 ] - [ 0.0009468100000000, -0.0001015800000000, -0.0024213100000000 ] - [ 0.0019285300000000, -0.0001011900000000, -0.0023862700000000 ] - [ 0.0141670600000000, 0.0397703600000000, 0.0007194400000000 ] - [ -0.0053936900000000, 0.0468523500000000, 0.0016425700000000 ] - [ 0.0050774800000000, -0.0390752300000000, 0.0010871500000000 ] - [ 0.0052043400000000, 0.0008930600000000, 0.0011140900000000 ] - [ 0.0049856300000000, 0.0008883100000000, 0.0010427400000000 ] - [ 0.0050963400000000, -0.0018031600000000, 0.0010804900000000 ] - [ 0.0017730200000000, 0.0079348300000000, 0.0003932300000000 ] - [ 0.0003089100000000, -0.0083032800000000, 0.0196282800000000 ] - [ 0.0033944300000000, -0.0082329300000000, -0.0196403200000000 ] - [ 0.0018647800000000, 0.0004550200000000, -0.0000709100000000 ] - [ 0.0023249300000000, -0.0002112700000000, -0.0023808100000000 ] - [ 0.0013933300000000, -0.0002097100000000, 0.0023443200000000 ] - [ -0.0057055300000000, 0.0005903100000000, -0.0055641200000000 ] - [ 0.0020338000000000, 0.0005881500000000, 0.0056446600000000 ] - [ -0.0018578100000000, -0.0013505300000000, 0.0000159300000000 ] - [ -0.0017801100000000, 0.0002041300000000, 0.0005610800000000 ] - [ -0.0019277800000000, 0.0001978200000000, -0.0006102500000000 ] - [ -0.0018563600000000, -0.0004100500000000, -0.0000148400000000 ] - [ -0.0051090900000000, 0.0030498800000000, -0.0010839200000000 ] - [ -0.0044741200000000, -0.0016156200000000, -0.0004149500000000 ] - [ -0.0057204400000000, -0.0016166000000000, -0.0017444800000000 ] - [ -0.0050744200000000, 0.0029379100000000, -0.0010986300000000 ] - [ -0.0042236700000000, -0.0014884200000000, -0.0014227100000000 ] - [ -0.0059546500000000, -0.0014801500000000, -0.0007530000000000 ] - [ 0.0051151600000000, 0.0030934900000000, 0.0010812200000000 ] - [ 0.0043089700000000, -0.0015550200000000, 0.0011164800000000 ] - [ 0.0058950500000000, -0.0015601600000000, 0.0010507100000000 ] - [ 0.0050915900000000, 0.0010994500000000, 0.0010826000000000 ] - [ 0.0049255600000000, -0.0005353400000000, 0.0010443600000000 ] - [ 0.0052626900000000, -0.0005344000000000, 0.0011238600000000 ] - [ 0.0016278300000000, 0.0001866400000000, -0.0015174400000000 ] - [ 0.0020962000000000, 0.0001870100000000, 0.0015288100000000 ] - [ 0.0018590900000000, -0.0003781200000000, 0.0000081100000000 ] - [ 0.0018041100000000, 0.0001809000000000, 0.0005817500000000 ] - [ 0.0019124800000000, 0.0001789400000000, -0.0005617600000000 ] - [ 0.0018587200000000, -0.0003485100000000, 0.0000069000000000 ] - [ -0.0018574400000000, 0.0006985200000000, -0.0000206700000000 ] - [ -0.0026023100000000, -0.0004074500000000, 0.0019507000000000 ] - [ -0.0011148800000000, -0.0004136900000000, -0.0019729800000000 ] - [ -0.0018774000000000, 0.0004492300000000, -0.0000021300000000 ] - [ -0.0021586400000000, -0.0002689400000000, -0.0025466700000000 ] - [ -0.0015640400000000, -0.0002743100000000, 0.0025535100000000 ] - [ -0.0051421400000000, 0.0009535800000000, -0.0012497200000000 ] - [ -0.0050383400000000, 0.0009604200000000, -0.0009219300000000 ] - [ -0.0050916400000000, -0.0018986600000000, -0.0010841500000000 ] - [ -0.0049614800000000, 0.0028941300000000, -0.0004437400000000 ] - [ -0.0052343700000000, 0.0029862900000000, -0.0016917700000000 ] - [ -0.0050999500000000, -0.0066363300000000, -0.0010879500000000 ]- atom: 1 displacement: [ -0.0030415166827246, 0.0000000000000000, 0.0095262362068504 ] forces: - [ 0.0666404700000000, 0.0000000000000000, -0.2276702700000000 ] - [ 0.0013170900000000, 0.0038537200000000, -0.0078937200000000 ] - [ 0.0013170900000000, -0.0038537200000000, -0.0078937200000000 ] - [ -0.0047550200000000, 0.0000000000000000, 0.0214482100000000 ] - [ -0.0035987000000000, -0.0006988800000000, 0.0050707800000000 ] - [ -0.0035987000000000, 0.0006988800000000, 0.0050707800000000 ] - [ -0.0054123800000000, 0.0000000000000000, 0.1030039500000000 ] - [ -0.0044721400000000, -0.0088047600000000, -0.0113287800000000 ] - [ -0.0044721400000000, 0.0088047600000000, -0.0113287800000000 ] - [ -0.0569096500000000, 0.0000000000000000, 0.0193397500000000 ] - [ -0.0015493500000000, 0.0049472700000000, -0.0047186400000000 ] - [ -0.0015493500000000, -0.0049472700000000, -0.0047186400000000 ] - [ -0.0042283400000000, -0.0161975300000000, -0.0050244400000000 ] - [ -0.0042283400000000, 0.0161975300000000, -0.0050244400000000 ] - [ -0.0003134000000000, 0.0000000000000000, 0.0041443200000000 ] - [ 0.0022055000000000, 0.0022636300000000, 0.0180336500000000 ] - [ 0.0022055000000000, -0.0022636300000000, 0.0180336500000000 ] - [ 0.0030429000000000, 0.0000000000000000, 0.0121480600000000 ] - [ 0.0111748400000000, 0.0057996900000000, -0.0033694200000000 ] - [ 0.0111748400000000, -0.0057996900000000, -0.0033694200000000 ] - [ 0.0038880300000000, 0.0000000000000000, -0.0026242700000000 ] - [ -0.0032200800000000, -0.0020114200000000, 0.0056119200000000 ] - [ -0.0032200800000000, 0.0020114200000000, 0.0056119200000000 ] - [ 0.0001196400000000, 0.0000000000000000, 0.0028575600000000 ] - [ -0.0056009700000000, -0.0000983200000000, -0.0036735400000000 ] - [ -0.0056009700000000, 0.0000983200000000, -0.0036735400000000 ] - [ -0.0030870100000000, 0.0000000000000000, -0.0021197000000000 ] - [ 0.0008688600000000, 0.0000317800000000, 0.0037832000000000 ] - [ 0.0008688600000000, -0.0000317800000000, 0.0037832000000000 ] - [ -0.0008825100000000, 0.0000000000000000, 0.0020940800000000 ] - [ -0.0015473700000000, 0.0014307800000000, -0.0101358300000000 ] - [ -0.0015473700000000, -0.0014307800000000, -0.0101358300000000 ] - [ -0.0020144300000000, 0.0000000000000000, -0.0099138100000000 ] - [ -0.0004505100000000, -0.0020702700000000, -0.0073006700000000 ] - [ -0.0004505100000000, 0.0020702700000000, -0.0073006700000000 ] - [ -0.0014963800000000, 0.0000000000000000, -0.0069372600000000 ] - [ -0.0078584900000000, 0.0000000000000000, 0.0022641600000000 ] - [ 0.0022086600000000, -0.0008620200000000, 0.0049309100000000 ] - [ 0.0022086600000000, 0.0008620200000000, 0.0049309100000000 ] - [ 0.0005091200000000, 0.0000000000000000, 0.0195838400000000 ] - [ 0.0015618500000000, -0.0000337400000000, 0.0117679600000000 ] - [ 0.0015618500000000, 0.0000337400000000, 0.0117679600000000 ] - [ -0.0136696500000000, 0.0000000000000000, 0.0023848000000000 ] - [ -0.0001518500000000, -0.0020952400000000, -0.0011367500000000 ] - [ -0.0001518500000000, 0.0020952400000000, -0.0011367500000000 ] - [ 0.0443322700000000, 0.0000000000000000, 0.0041177700000000 ] - [ 0.0035511600000000, 0.0041935200000000, 0.0015520300000000 ] - [ 0.0035511600000000, -0.0041935200000000, 0.0015520300000000 ] - [ 0.0197103400000000, 0.0000000000000000, -0.0120305000000000 ] - [ 0.0011562000000000, 0.0005556700000000, 0.0015584500000000 ] - [ 0.0011562000000000, -0.0005556700000000, 0.0015584500000000 ] - [ -0.0041575900000000, 0.0000000000000000, -0.0056161600000000 ] - [ -0.0027119900000000, -0.0009991000000000, 0.0025556000000000 ] - [ -0.0027119900000000, 0.0009991000000000, 0.0025556000000000 ] - [ -0.0248918700000000, 0.0000000000000000, 0.0253515400000000 ] - [ -0.0127590000000000, -0.0034799600000000, -0.0005182000000000 ] - [ -0.0127590000000000, 0.0034799600000000, -0.0005182000000000 ] - [ -0.0103742400000000, 0.0000000000000000, -0.0124816500000000 ] - [ -0.0095900800000000, 0.0021915300000000, -0.0035477900000000 ] - [ -0.0095900800000000, -0.0021915300000000, -0.0035477900000000 ] - [ 0.0055865600000000, -0.0141340500000000, -0.0070175500000000 ] - [ 0.0055865600000000, 0.0141340500000000, -0.0070175500000000 ] - [ 0.0088132900000000, 0.0000000000000000, 0.0015023300000000 ] - [ 0.0154092500000000, 0.0091920400000000, 0.0026112400000000 ] - [ 0.0154092500000000, -0.0091920400000000, 0.0026112400000000 ] - [ 0.0121034100000000, 0.0000000000000000, 0.0021933300000000 ] - [ 0.0064180000000000, 0.0005823900000000, -0.0020536600000000 ] - [ 0.0064180000000000, -0.0005823900000000, -0.0020536600000000 ] - [ 0.0034803100000000, 0.0000000000000000, -0.0021972300000000 ] - [ -0.0019917700000000, -0.0004304800000000, -0.0037622100000000 ] - [ -0.0019917700000000, 0.0004304800000000, -0.0037622100000000 ] - [ -0.0000906100000000, 0.0000000000000000, -0.0027923700000000 ] - [ -0.0042724500000000, -0.0002551700000000, 0.0018604600000000 ] - [ -0.0042724500000000, 0.0002551700000000, 0.0018604600000000 ] - [ -0.0022307400000000, 0.0000000000000000, 0.0022495700000000 ] - [ -0.0002296800000000, 0.0001528100000000, 0.0028910200000000 ] - [ -0.0002296800000000, -0.0001528100000000, 0.0028910200000000 ] - [ -0.0009228900000000, 0.0000000000000000, 0.0024536000000000 ] - [ -0.0094987100000000, -0.0014342900000000, -0.0001111200000000 ] - [ -0.0094987100000000, 0.0014342900000000, -0.0001111200000000 ] - [ -0.0103590200000000, 0.0000000000000000, -0.0012472600000000 ] - [ -0.0112781100000000, 0.0000770700000000, -0.0030224700000000 ] - [ -0.0112781100000000, -0.0000770700000000, -0.0030224700000000 ] - [ -0.0107712800000000, 0.0000000000000000, -0.0023123400000000 ] - [ 0.0138040300000000, 0.0000000000000000, 0.0003604300000000 ] - [ 0.0108980100000000, 0.0006487200000000, 0.0013801500000000 ] - [ 0.0108980100000000, -0.0006487200000000, 0.0013801500000000 ] - [ 0.0058066600000000, 0.0000000000000000, 0.0054028000000000 ] - [ 0.0099450100000000, -0.0007863300000000, 0.0025095500000000 ] - [ 0.0099450100000000, 0.0007863300000000, 0.0025095500000000 ] - [ 0.0051030100000000, 0.0000000000000000, 0.0175932400000000 ] - [ 0.0002200100000000, 0.0000119800000000, -0.0010818100000000 ] - [ 0.0002200100000000, -0.0000119800000000, -0.0010818100000000 ] - [ 0.0045070100000000, 0.0000000000000000, -0.0075288300000000 ] - [ 0.0022097000000000, 0.0000807900000000, -0.0033021100000000 ] - [ 0.0022097000000000, -0.0000807900000000, -0.0033021100000000 ] - [ -0.0002879900000000, -0.0084168100000000, 0.0091446500000000 ] - [ -0.0002879900000000, 0.0084168100000000, 0.0091446500000000 ] - [ 0.0043485700000000, 0.0000000000000000, 0.0025462200000000 ] - [ 0.0060810600000000, -0.0009885800000000, -0.0008656300000000 ] - [ 0.0060810600000000, 0.0009885800000000, -0.0008656300000000 ] - [ 0.0056371200000000, 0.0000000000000000, 0.0002022000000000 ] - [ -0.0118176300000000, 0.0000000000000000, 0.0855569700000000 ] - [ 0.0011066600000000, 0.0005384800000000, 0.0075745400000000 ] - [ 0.0011066600000000, -0.0005384800000000, 0.0075745400000000 ] - [ 0.0054829700000000, 0.0000000000000000, -0.0220080500000000 ] - [ 0.0022067100000000, -0.0003519200000000, -0.0055686700000000 ] - [ 0.0022067100000000, 0.0003519200000000, -0.0055686700000000 ] - [ -0.0039412800000000, 0.0001295400000000, 0.0107128100000000 ] - [ -0.0039412800000000, -0.0001295400000000, 0.0107128100000000 ] - [ -0.0021160400000000, 0.0000000000000000, 0.0045151800000000 ] - [ -0.0008539500000000, -0.0000316700000000, -0.0089041300000000 ] - [ -0.0008539500000000, 0.0000316700000000, -0.0089041300000000 ] - [ -0.0016495500000000, 0.0000000000000000, -0.0040255100000000 ] - [ -0.0122852200000000, 0.0000000000000000, -0.0041376100000000 ] - [ -0.0061172600000000, 0.0019679600000000, -0.0005748500000000 ] - [ -0.0061172600000000, -0.0019679600000000, -0.0005748500000000 ] - [ -0.0012139900000000, 0.0000000000000000, -0.0020373200000000 ] - [ -0.0042406400000000, -0.0011795500000000, -0.0017812000000000 ] - [ -0.0042406400000000, 0.0011795500000000, -0.0017812000000000 ] - [ 0.0059359600000000, 0.0000000000000000, 0.0018923300000000 ] - [ 0.0055468300000000, -0.0003070400000000, 0.0014643300000000 ] - [ 0.0055468300000000, 0.0003070400000000, 0.0014643300000000 ] - [ 0.0045091500000000, 0.0000000000000000, 0.0002206300000000 ] - [ 0.0048594600000000, 0.0003128300000000, 0.0006654300000000 ] - [ 0.0048594600000000, -0.0003128300000000, 0.0006654300000000 ] - [ 0.0021042100000000, -0.0001111500000000, 0.0034528900000000 ] - [ 0.0021042100000000, 0.0001111500000000, 0.0034528900000000 ] - [ 0.0018985800000000, 0.0000000000000000, 0.0024675600000000 ] - [ 0.0015337300000000, 0.0001384300000000, -0.0035332100000000 ] - [ 0.0015337300000000, -0.0001384300000000, -0.0035332100000000 ] - [ 0.0018145200000000, 0.0000000000000000, -0.0024539900000000 ] - [ 0.0006332600000000, 0.0000000000000000, 0.0031010600000000 ] - [ -0.0017123000000000, 0.0003924100000000, 0.0030284100000000 ] - [ -0.0017123000000000, -0.0003924100000000, 0.0030284100000000 ] - [ -0.0036282300000000, 0.0000000000000000, -0.0119997400000000 ] - [ -0.0018640400000000, -0.0002930400000000, -0.0035646600000000 ] - [ -0.0018640400000000, 0.0002930400000000, -0.0035646600000000 ] - [ -0.0037415900000000, -0.0026495100000000, -0.0012692800000000 ] - [ -0.0037415900000000, 0.0026495100000000, -0.0012692800000000 ] - [ -0.0044618600000000, 0.0000000000000000, -0.0009833000000000 ] - [ -0.0075967300000000, 0.0064376100000000, -0.0004511800000000 ] - [ -0.0075967300000000, -0.0064376100000000, -0.0004511800000000 ] - [ -0.0060758800000000, 0.0000000000000000, -0.0011752300000000 ]- atom: 1 displacement: [ 0.0030415166827246, 0.0000000000000000, -0.0095262362068504 ] forces: - [ -0.0700303300000000, 0.0000000000000000, 0.2378006200000000 ] - [ -0.0049593700000000, -0.0041120800000000, 0.0078018500000000 ] - [ -0.0049593700000000, 0.0041120800000000, 0.0078018500000000 ] - [ 0.0011111200000000, 0.0000000000000000, -0.0214653000000000 ] - [ -0.0000384500000000, 0.0006996200000000, -0.0051108900000000 ] - [ -0.0000384500000000, -0.0006996200000000, -0.0051108900000000 ] - [ 0.0014779400000000, 0.0000000000000000, -0.1201599900000000 ] - [ 0.0006700900000000, 0.0088070000000000, -0.0053972900000000 ] - [ 0.0006700900000000, -0.0088070000000000, -0.0053972900000000 ] - [ 0.0521041800000000, 0.0000000000000000, -0.0354728600000000 ] - [ -0.0022153500000000, -0.0048800700000000, -0.0120394000000000 ] - [ -0.0022153500000000, 0.0048800700000000, -0.0120394000000000 ] - [ 0.0081567200000000, 0.0161620100000000, 0.0216792800000000 ] - [ 0.0081567200000000, -0.0161620100000000, 0.0216792800000000 ] - [ 0.0041114100000000, 0.0000000000000000, 0.0126020900000000 ] - [ 0.0015969000000000, -0.0022540500000000, -0.0012498400000000 ] - [ 0.0015969000000000, 0.0022540500000000, -0.0012498400000000 ] - [ 0.0007507400000000, 0.0000000000000000, 0.0046450100000000 ] - [ -0.0075441100000000, -0.0058234900000000, 0.0033873400000000 ] - [ -0.0075441100000000, 0.0058234900000000, 0.0033873400000000 ] - [ -0.0002394200000000, 0.0000000000000000, 0.0026891900000000 ] - [ 0.0068064300000000, 0.0019725800000000, -0.0055384900000000 ] - [ 0.0068064300000000, -0.0019725800000000, -0.0055384900000000 ] - [ 0.0035025400000000, 0.0000000000000000, -0.0027831100000000 ] - [ 0.0019396000000000, 0.0001318300000000, 0.0035837900000000 ] - [ 0.0019396000000000, -0.0001318300000000, 0.0035837900000000 ] - [ -0.0005556700000000, 0.0000000000000000, 0.0020455800000000 ] - [ -0.0045061500000000, -0.0000342600000000, -0.0038363400000000 ] - [ -0.0045061500000000, 0.0000342600000000, -0.0038363400000000 ] - [ -0.0027496400000000, 0.0000000000000000, -0.0021563300000000 ] - [ -0.0022556000000000, -0.0014265600000000, -0.0066267700000000 ] - [ -0.0022556000000000, 0.0014265600000000, -0.0066267700000000 ] - [ -0.0017792000000000, 0.0000000000000000, -0.0068540900000000 ] - [ -0.0033273200000000, 0.0020010100000000, -0.0094929600000000 ] - [ -0.0033273200000000, -0.0020010100000000, -0.0094929600000000 ] - [ -0.0022934000000000, 0.0000000000000000, -0.0098362200000000 ] - [ 0.0116093800000000, 0.0000000000000000, 0.0145258700000000 ] - [ 0.0015655900000000, 0.0008411900000000, 0.0118356200000000 ] - [ 0.0015655900000000, -0.0008411900000000, 0.0118356200000000 ] - [ 0.0032794700000000, 0.0000000000000000, -0.0028080300000000 ] - [ 0.0022260300000000, 0.0000351200000000, 0.0050109500000000 ] - [ 0.0022260300000000, -0.0000351200000000, 0.0050109500000000 ] - [ 0.0172705400000000, 0.0000000000000000, -0.0023612300000000 ] - [ 0.0037769100000000, 0.0020935400000000, 0.0012081700000000 ] - [ 0.0037769100000000, -0.0020935400000000, 0.0012081700000000 ] - [ -0.0402056300000000, 0.0000000000000000, -0.0042431500000000 ] - [ 0.0000735400000000, -0.0041481300000000, -0.0014851600000000 ] - [ 0.0000735400000000, 0.0041481300000000, -0.0014851600000000 ] - [ -0.0224220900000000, 0.0000000000000000, 0.0168586700000000 ] - [ -0.0040166800000000, -0.0005584000000000, 0.0032361800000000 ] - [ -0.0040166800000000, 0.0005584000000000, 0.0032361800000000 ] - [ 0.0010456500000000, 0.0000000000000000, 0.0118048600000000 ] - [ -0.0001824300000000, 0.0010081300000000, 0.0022849600000000 ] - [ -0.0001824300000000, -0.0010081300000000, 0.0022849600000000 ] - [ 0.0031611600000000, 0.0000000000000000, -0.0290728800000000 ] - [ -0.0084535300000000, 0.0034718900000000, -0.0030778700000000 ] - [ -0.0084535300000000, -0.0034718900000000, -0.0030778700000000 ] - [ -0.0108066900000000, 0.0000000000000000, 0.0088177900000000 ] - [ -0.0115922100000000, -0.0021927700000000, -0.0000842900000000 ] - [ -0.0115922100000000, 0.0021927700000000, -0.0000842900000000 ] - [ 0.0155915100000000, 0.0140805300000000, 0.0107043700000000 ] - [ 0.0155915100000000, -0.0140805300000000, 0.0107043700000000 ] - [ 0.0123526800000000, 0.0000000000000000, 0.0021046000000000 ] - [ 0.0057973200000000, -0.0090459100000000, 0.0010328800000000 ] - [ 0.0057973200000000, 0.0090459100000000, 0.0010328800000000 ] - [ 0.0090947800000000, 0.0000000000000000, 0.0014342100000000 ] - [ -0.0035206600000000, -0.0006028300000000, -0.0027148800000000 ] - [ -0.0035206600000000, 0.0006028300000000, -0.0027148800000000 ] - [ -0.0005963600000000, 0.0000000000000000, -0.0025963100000000 ] - [ 0.0048653800000000, 0.0004324600000000, -0.0010358200000000 ] - [ 0.0048653800000000, -0.0004324600000000, -0.0010358200000000 ] - [ 0.0029644100000000, 0.0000000000000000, -0.0020073600000000 ] - [ 0.0014033800000000, 0.0002545700000000, 0.0029399800000000 ] - [ 0.0014033800000000, -0.0002545700000000, 0.0029399800000000 ] - [ -0.0006500100000000, 0.0000000000000000, 0.0025489700000000 ] - [ -0.0026481700000000, -0.0001499400000000, 0.0019320700000000 ] - [ -0.0026481700000000, 0.0001499400000000, 0.0019320700000000 ] - [ -0.0019521300000000, 0.0000000000000000, 0.0023517900000000 ] - [ -0.0116477400000000, 0.0013864100000000, -0.0034828300000000 ] - [ -0.0116477400000000, -0.0013864100000000, -0.0034828300000000 ] - [ -0.0108118800000000, 0.0000000000000000, -0.0023620400000000 ] - [ -0.0099008600000000, -0.0000797800000000, -0.0006001600000000 ] - [ -0.0099008600000000, 0.0000797800000000, -0.0006001600000000 ] - [ -0.0104122000000000, 0.0000000000000000, -0.0013101800000000 ] - [ 0.0073962400000000, 0.0000000000000000, 0.0032596800000000 ] - [ 0.0102859900000000, -0.0006497200000000, 0.0022351900000000 ] - [ 0.0102859900000000, 0.0006497200000000, 0.0022351900000000 ] - [ 0.0152683000000000, 0.0000000000000000, -0.0017701300000000 ] - [ 0.0112423900000000, 0.0007722100000000, 0.0011209300000000 ] - [ 0.0112423900000000, -0.0007722100000000, 0.0011209300000000 ] - [ -0.0023178500000000, 0.0000000000000000, -0.0228796300000000 ] - [ 0.0026847000000000, -0.0000063300000000, -0.0037111200000000 ] - [ 0.0026847000000000, 0.0000063300000000, -0.0037111200000000 ] - [ -0.0016157200000000, 0.0000000000000000, 0.0027236300000000 ] - [ 0.0006740900000000, -0.0000809600000000, -0.0015036600000000 ] - [ 0.0006740900000000, 0.0000809600000000, -0.0015036600000000 ] - [ 0.0106990900000000, 0.0089674800000000, -0.0072806100000000 ] - [ 0.0106990900000000, -0.0089674800000000, -0.0072806100000000 ] - [ 0.0058129200000000, 0.0000000000000000, -0.0003911600000000 ] - [ 0.0041045300000000, 0.0009814500000000, 0.0030265400000000 ] - [ 0.0041045300000000, -0.0009814500000000, 0.0030265400000000 ] - [ 0.0045530600000000, 0.0000000000000000, 0.0019592300000000 ] - [ 0.0159804900000000, 0.0000000000000000, -0.0960338500000000 ] - [ 0.0026271700000000, -0.0005044000000000, -0.0076618400000000 ] - [ 0.0026271700000000, 0.0005044000000000, -0.0076618400000000 ] - [ -0.0017004000000000, 0.0000000000000000, 0.0220067200000000 ] - [ 0.0015099500000000, 0.0003447600000000, 0.0055467300000000 ] - [ 0.0015099500000000, -0.0003447600000000, 0.0055467300000000 ] - [ 0.0002260300000000, -0.0000906600000000, -0.0106751400000000 ] - [ 0.0002260300000000, 0.0000906600000000, -0.0106751400000000 ] - [ -0.0016037000000000, 0.0000000000000000, -0.0045153800000000 ] - [ -0.0028593800000000, 0.0000338300000000, 0.0088708400000000 ] - [ -0.0028593800000000, -0.0000338300000000, 0.0088708400000000 ] - [ -0.0020647100000000, 0.0000000000000000, 0.0039992100000000 ] - [ 0.0020970300000000, 0.0000000000000000, 0.0019985500000000 ] - [ -0.0040791500000000, -0.0019771800000000, -0.0015895800000000 ] - [ -0.0040791500000000, 0.0019771800000000, -0.0015895800000000 ] - [ -0.0089007600000000, 0.0000000000000000, -0.0001497700000000 ] - [ -0.0059431500000000, 0.0011625200000000, -0.0003840700000000 ] - [ -0.0059431500000000, -0.0011625200000000, -0.0003840700000000 ] - [ 0.0043392000000000, 0.0000000000000000, 0.0002750200000000 ] - [ 0.0046388100000000, 0.0003167600000000, 0.0007036500000000 ] - [ 0.0046388100000000, -0.0003167600000000, 0.0007036500000000 ] - [ 0.0056816400000000, 0.0000000000000000, 0.0019440200000000 ] - [ 0.0053283500000000, -0.0003156600000000, 0.0014996400000000 ] - [ 0.0053283500000000, 0.0003156600000000, 0.0014996400000000 ] - [ 0.0016160300000000, 0.0001087600000000, -0.0034493700000000 ] - [ 0.0016160300000000, -0.0001087600000000, -0.0034493700000000 ] - [ 0.0018182100000000, 0.0000000000000000, -0.0024576700000000 ] - [ 0.0021813100000000, -0.0001344700000000, 0.0035255700000000 ] - [ 0.0021813100000000, 0.0001344700000000, 0.0035255700000000 ] - [ 0.0019021900000000, 0.0000000000000000, 0.0024557900000000 ] - [ -0.0043864800000000, 0.0000000000000000, -0.0031210600000000 ] - [ -0.0020034800000000, -0.0003917800000000, -0.0030343500000000 ] - [ -0.0020034800000000, 0.0003917800000000, -0.0030343500000000 ] - [ -0.0001072300000000, 0.0000000000000000, 0.0120392500000000 ] - [ -0.0018528100000000, 0.0002893600000000, 0.0035519500000000 ] - [ -0.0018528100000000, -0.0002893600000000, 0.0035519500000000 ] - [ -0.0064402300000000, 0.0026418800000000, -0.0008981100000000 ] - [ -0.0064402300000000, -0.0026418800000000, -0.0008981100000000 ] - [ -0.0057216900000000, 0.0000000000000000, -0.0011840100000000 ] - [ -0.0026240500000000, -0.0063572500000000, -0.0017096900000000 ] - [ -0.0026240500000000, 0.0063572500000000, -0.0017096900000000 ] - [ -0.0041159500000000, 0.0000000000000000, -0.0009945100000000 ]- atom: 7 displacement: [ 0.0099999556214383, 0.0000000000000000, -0.0000297921007044 ] forces: - [ -0.0073501900000000, 0.0000000000000000, -0.0059942000000000 ] - [ -0.0035925800000000, 0.0005681500000000, -0.0033072600000000 ] - [ -0.0035925800000000, -0.0005681500000000, -0.0033072600000000 ] - [ -0.0041431800000000, 0.0000000000000000, -0.0583503300000000 ] - [ -0.0041582700000000, 0.0055880200000000, -0.0004390000000000 ] - [ -0.0041582700000000, -0.0055880200000000, -0.0004390000000000 ] - [ -0.3066573100000000, 0.0000000000000000, 0.0129396200000000 ] - [ -0.0081294100000000, -0.0081790900000000, -0.0088599100000000 ] - [ -0.0081294100000000, 0.0081790900000000, -0.0088599100000000 ] - [ -0.0033685700000000, 0.0000000000000000, -0.0153150600000000 ] - [ -0.0022267900000000, 0.0003854400000000, -0.0102328700000000 ] - [ -0.0022267900000000, -0.0003854400000000, -0.0102328700000000 ] - [ 0.0028708500000000, 0.0003977400000000, -0.0001017900000000 ] - [ 0.0028708500000000, -0.0003977400000000, -0.0001017900000000 ] - [ 0.0027205700000000, 0.0000000000000000, 0.0059668500000000 ] - [ -0.0042444800000000, 0.0003995100000000, 0.0218898700000000 ] - [ -0.0042444800000000, -0.0003995100000000, 0.0218898700000000 ] - [ 0.0014659900000000, 0.0000000000000000, 0.0115918600000000 ] - [ 0.0262534800000000, 0.0418829200000000, 0.0014130900000000 ] - [ 0.0262534800000000, -0.0418829200000000, 0.0014130900000000 ] - [ 0.0067215600000000, 0.0000000000000000, -0.0007154800000000 ] - [ 0.0019345300000000, -0.0004464300000000, 0.0003521400000000 ] - [ 0.0019345300000000, 0.0004464300000000, 0.0003521400000000 ] - [ 0.0020001200000000, 0.0000000000000000, 0.0012873100000000 ] - [ 0.0010650400000000, -0.0009137300000000, 0.0012722000000000 ] - [ 0.0010650400000000, 0.0009137300000000, 0.0012722000000000 ] - [ -0.0002997300000000, 0.0000000000000000, 0.0003353900000000 ] - [ 0.0035531000000000, 0.0000183200000000, 0.0031721500000000 ] - [ 0.0035531000000000, -0.0000183200000000, 0.0031721500000000 ] - [ 0.0007759700000000, 0.0000000000000000, 0.0012017600000000 ] - [ 0.0122105200000000, -0.0060453600000000, -0.0089932600000000 ] - [ 0.0122105200000000, 0.0060453600000000, -0.0089932600000000 ] - [ 0.0021987900000000, 0.0000000000000000, -0.0083593500000000 ] - [ -0.0011010900000000, -0.0006972300000000, -0.0064529200000000 ] - [ -0.0011010900000000, 0.0006972300000000, -0.0064529200000000 ] - [ -0.0012369700000000, 0.0000000000000000, -0.0071697400000000 ] - [ 0.0015923200000000, 0.0000000000000000, 0.0250686200000000 ] - [ 0.0011197000000000, 0.0011185400000000, 0.0107474400000000 ] - [ 0.0011197000000000, -0.0011185400000000, 0.0107474400000000 ] - [ 0.0140689600000000, 0.0000000000000000, 0.0040820800000000 ] - [ 0.0034187500000000, 0.0012658300000000, 0.0078155000000000 ] - [ 0.0034187500000000, -0.0012658300000000, 0.0078155000000000 ] - [ 0.0824471700000000, 0.0000000000000000, 0.0154877900000000 ] - [ -0.0005790900000000, 0.0111263500000000, -0.0003767900000000 ] - [ -0.0005790900000000, -0.0111263500000000, -0.0003767900000000 ] - [ 0.0020616600000000, 0.0000000000000000, -0.0013989800000000 ] - [ 0.0012961300000000, 0.0006348000000000, -0.0004976700000000 ] - [ 0.0012961300000000, -0.0006348000000000, -0.0004976700000000 ] - [ 0.1581834200000000, 0.0000000000000000, -0.0262869500000000 ] - [ 0.0067677900000000, -0.0019703500000000, 0.0020030300000000 ] - [ 0.0067677900000000, 0.0019703500000000, 0.0020030300000000 ] - [ -0.0004221200000000, 0.0000000000000000, 0.0033310200000000 ] - [ -0.0008032400000000, -0.0000541000000000, 0.0030330800000000 ] - [ -0.0008032400000000, 0.0000541000000000, 0.0030330800000000 ] - [ -0.0097477000000000, 0.0000000000000000, 0.0009718300000000 ] - [ -0.0100681000000000, 0.0005183600000000, -0.0006926700000000 ] - [ -0.0100681000000000, -0.0005183600000000, -0.0006926700000000 ] - [ 0.0126067500000000, 0.0000000000000000, 0.0109832800000000 ] - [ -0.0089838300000000, 0.0015833200000000, -0.0045925500000000 ] - [ -0.0089838300000000, -0.0015833200000000, -0.0045925500000000 ] - [ 0.0390217700000000, 0.0147072800000000, 0.0034756200000000 ] - [ 0.0390217700000000, -0.0147072800000000, 0.0034756200000000 ] - [ 0.0065701400000000, 0.0000000000000000, -0.0001738100000000 ] - [ 0.0109757300000000, 0.0007142100000000, 0.0032810200000000 ] - [ 0.0109757300000000, -0.0007142100000000, 0.0032810200000000 ] - [ 0.0108057900000000, 0.0000000000000000, 0.0024722800000000 ] - [ -0.0009708600000000, 0.0000644000000000, -0.0019281500000000 ] - [ -0.0009708600000000, -0.0000644000000000, -0.0019281500000000 ] - [ 0.0001955600000000, 0.0000000000000000, -0.0023420900000000 ] - [ -0.0008525900000000, -0.0024573000000000, -0.0062303800000000 ] - [ -0.0008525900000000, 0.0024573000000000, -0.0062303800000000 ] - [ -0.0007248700000000, 0.0000000000000000, -0.0035305500000000 ] - [ -0.0173961000000000, -0.0009843100000000, 0.0003688500000000 ] - [ -0.0173961000000000, 0.0009843100000000, 0.0003688500000000 ] - [ -0.0059686300000000, 0.0000000000000000, 0.0020016900000000 ] - [ -0.0025045400000000, 0.0000936600000000, 0.0020423900000000 ] - [ -0.0025045400000000, -0.0000936600000000, 0.0020423900000000 ] - [ -0.0022501600000000, 0.0000000000000000, 0.0021573900000000 ] - [ -0.0115927900000000, 0.0015719300000000, -0.0032719600000000 ] - [ -0.0115927900000000, -0.0015719300000000, -0.0032719600000000 ] - [ -0.0112019000000000, 0.0000000000000000, -0.0023302900000000 ] - [ -0.0135112600000000, 0.0026728700000000, -0.0021756600000000 ] - [ -0.0135112600000000, -0.0026728700000000, -0.0021756600000000 ] - [ -0.0121928300000000, 0.0000000000000000, -0.0019975600000000 ] - [ -0.0063981300000000, 0.0000000000000000, 0.0021767100000000 ] - [ 0.0094432100000000, -0.0015076800000000, 0.0019302800000000 ] - [ 0.0094432100000000, 0.0015076800000000, 0.0019302800000000 ] - [ 0.0099238000000000, 0.0000000000000000, 0.0002961000000000 ] - [ 0.0106022100000000, -0.0003856100000000, 0.0013477400000000 ] - [ 0.0106022100000000, 0.0003856100000000, 0.0013477400000000 ] - [ 0.0067550000000000, 0.0000000000000000, -0.0051273600000000 ] - [ 0.0032710400000000, -0.0001539300000000, -0.0023006700000000 ] - [ 0.0032710400000000, 0.0001539300000000, -0.0023006700000000 ] - [ -0.0107856400000000, 0.0000000000000000, 0.0104974700000000 ] - [ 0.0015011600000000, -0.0007593100000000, -0.0015471600000000 ] - [ 0.0015011600000000, 0.0007593100000000, -0.0015471600000000 ] - [ 0.0057232300000000, 0.0009060900000000, 0.0015988100000000 ] - [ 0.0057232300000000, -0.0009060900000000, 0.0015988100000000 ] - [ 0.0052142200000000, 0.0000000000000000, 0.0016018500000000 ] - [ 0.0093906400000000, 0.0072992300000000, 0.0036089800000000 ] - [ 0.0093906400000000, -0.0072992300000000, 0.0036089800000000 ] - [ 0.0067214000000000, 0.0000000000000000, 0.0010051700000000 ] - [ 0.0133003100000000, 0.0000000000000000, 0.0028175300000000 ] - [ 0.0027379600000000, 0.0005601700000000, 0.0044584900000000 ] - [ 0.0027379600000000, -0.0005601700000000, 0.0044584900000000 ] - [ 0.0013332900000000, 0.0000000000000000, 0.0149925500000000 ] - [ 0.0018576800000000, -0.0006053000000000, 0.0018633800000000 ] - [ 0.0018576800000000, 0.0006053000000000, 0.0018633800000000 ] - [ -0.0035015000000000, -0.0027216400000000, 0.0096216300000000 ] - [ -0.0035015000000000, 0.0027216400000000, 0.0096216300000000 ] - [ -0.0022969200000000, 0.0000000000000000, 0.0026016600000000 ] - [ -0.0005613800000000, 0.0007575100000000, -0.0024890100000000 ] - [ -0.0005613800000000, -0.0007575100000000, -0.0024890100000000 ] - [ -0.0017414600000000, 0.0000000000000000, -0.0021465500000000 ] - [ -0.0256633300000000, 0.0000000000000000, -0.0008855300000000 ] - [ -0.0035148000000000, 0.0048807500000000, -0.0016575700000000 ] - [ -0.0035148000000000, -0.0048807500000000, -0.0016575700000000 ] - [ -0.0048292900000000, 0.0000000000000000, -0.0007845600000000 ] - [ -0.0050012800000000, -0.0002733300000000, -0.0010833800000000 ] - [ -0.0050012800000000, 0.0002733300000000, -0.0010833800000000 ] - [ 0.0038478500000000, 0.0000000000000000, 0.0002495800000000 ] - [ 0.0047582200000000, -0.0003960800000000, 0.0009471500000000 ] - [ 0.0047582200000000, 0.0003960800000000, 0.0009471500000000 ] - [ 0.0023125000000000, 0.0000000000000000, 0.0009637700000000 ] - [ 0.0041541800000000, 0.0003639700000000, 0.0010123500000000 ] - [ 0.0041541800000000, -0.0003639700000000, 0.0010123500000000 ] - [ 0.0006560400000000, 0.0004697500000000, -0.0008845600000000 ] - [ 0.0006560400000000, -0.0004697500000000, -0.0008845600000000 ] - [ 0.0014728500000000, 0.0000000000000000, -0.0001353100000000 ] - [ 0.0015944000000000, 0.0001399000000000, -0.0023093200000000 ] - [ 0.0015944000000000, -0.0001399000000000, -0.0023093200000000 ] - [ 0.0017105700000000, 0.0000000000000000, -0.0014302800000000 ] - [ -0.0064289900000000, 0.0000000000000000, -0.0197984500000000 ] - [ -0.0016208300000000, -0.0009731600000000, -0.0023520400000000 ] - [ -0.0016208300000000, 0.0009731600000000, -0.0023520400000000 ] - [ -0.0029365300000000, 0.0000000000000000, 0.0033512100000000 ] - [ -0.0019713300000000, -0.0001882800000000, 0.0005466800000000 ] - [ -0.0019713300000000, 0.0001882800000000, 0.0005466800000000 ] - [ -0.0132994900000000, 0.0177485300000000, -0.0010295700000000 ] - [ -0.0132994900000000, -0.0177485300000000, -0.0010295700000000 ] - [ -0.0066291400000000, 0.0000000000000000, -0.0009572600000000 ] - [ -0.0052610100000000, 0.0009013100000000, -0.0010536800000000 ] - [ -0.0052610100000000, -0.0009013100000000, -0.0010536800000000 ] - [ -0.0051945100000000, 0.0000000000000000, -0.0010868000000000 ]- atom: 7 displacement: [ -0.0099999556214383, 0.0000000000000000, 0.0000297921007044 ] forces: - [ 0.0037168100000000, 0.0000000000000000, 0.0054677900000000 ] - [ -0.0000403200000000, -0.0006070000000000, 0.0032054900000000 ] - [ -0.0000403200000000, 0.0006070000000000, 0.0032054900000000 ] - [ 0.0008981600000000, 0.0000000000000000, 0.0578574600000000 ] - [ 0.0005129400000000, -0.0055391200000000, 0.0003758600000000 ] - [ 0.0005129400000000, 0.0055391200000000, 0.0003758600000000 ] - [ 0.2902871000000000, 0.0000000000000000, -0.0265722200000000 ] - [ 0.0042320500000000, 0.0081065200000000, -0.0079313400000000 ] - [ 0.0042320500000000, -0.0081065200000000, -0.0079313400000000 ] - [ -0.0004073900000000, 0.0000000000000000, -0.0014812500000000 ] - [ -0.0015539000000000, -0.0003838900000000, -0.0065427400000000 ] - [ -0.0015539000000000, 0.0003838900000000, -0.0065427400000000 ] - [ 0.0009488900000000, -0.0003918900000000, 0.0169731300000000 ] - [ 0.0009488900000000, 0.0003918900000000, 0.0169731300000000 ] - [ 0.0010789800000000, 0.0000000000000000, 0.0108107700000000 ] - [ 0.0081210000000000, -0.0005560700000000, -0.0050944100000000 ] - [ 0.0081210000000000, 0.0005560700000000, -0.0050944100000000 ] - [ 0.0023546900000000, 0.0000000000000000, 0.0051985600000000 ] - [ -0.0227996000000000, -0.0425038100000000, -0.0013284000000000 ] - [ -0.0227996000000000, 0.0425038100000000, -0.0013284000000000 ] - [ -0.0030723400000000, 0.0000000000000000, 0.0007767900000000 ] - [ 0.0017014700000000, 0.0004389200000000, -0.0003003200000000 ] - [ 0.0017014700000000, -0.0004389200000000, -0.0003003200000000 ] - [ 0.0016323600000000, 0.0000000000000000, -0.0012123200000000 ] - [ -0.0047160500000000, 0.0009144000000000, -0.0013289400000000 ] - [ -0.0047160500000000, -0.0009144000000000, -0.0013289400000000 ] - [ -0.0033386100000000, 0.0000000000000000, -0.0003978600000000 ] - [ -0.0072167400000000, -0.0000340100000000, -0.0032796500000000 ] - [ -0.0072167400000000, 0.0000340100000000, -0.0032796500000000 ] - [ -0.0043922500000000, 0.0000000000000000, -0.0012760600000000 ] - [ -0.0160856400000000, 0.0060540000000000, -0.0077568000000000 ] - [ -0.0160856400000000, -0.0060540000000000, -0.0077568000000000 ] - [ -0.0059992800000000, 0.0000000000000000, -0.0084019400000000 ] - [ -0.0026982900000000, 0.0007041400000000, -0.0103425300000000 ] - [ -0.0026982900000000, -0.0007041400000000, -0.0103425300000000 ] - [ -0.0025566100000000, 0.0000000000000000, -0.0096097300000000 ] - [ 0.0021624000000000, 0.0000000000000000, -0.0082852400000000 ] - [ 0.0026589200000000, -0.0011203900000000, 0.0060220900000000 ] - [ 0.0026589200000000, 0.0011203900000000, 0.0060220900000000 ] - [ -0.0102653100000000, 0.0000000000000000, 0.0126739000000000 ] - [ 0.0003611100000000, -0.0012510200000000, 0.0089433600000000 ] - [ 0.0003611100000000, 0.0012510200000000, 0.0089433600000000 ] - [ -0.0784108600000000, 0.0000000000000000, -0.0154702800000000 ] - [ 0.0041793000000000, -0.0111151100000000, 0.0004463900000000 ] - [ 0.0041793000000000, 0.0111151100000000, 0.0004463900000000 ] - [ 0.0015767000000000, 0.0000000000000000, 0.0014241200000000 ] - [ 0.0023326900000000, -0.0006378700000000, 0.0005521500000000 ] - [ 0.0023326900000000, 0.0006378700000000, 0.0005521500000000 ] - [ -0.1495929200000000, 0.0000000000000000, 0.0286493900000000 ] - [ -0.0095869600000000, 0.0019493500000000, 0.0027807400000000 ] - [ -0.0095869600000000, -0.0019493500000000, 0.0027807400000000 ] - [ -0.0024690700000000, 0.0000000000000000, 0.0014856600000000 ] - [ -0.0020828800000000, 0.0000568400000000, 0.0017780700000000 ] - [ -0.0020828800000000, -0.0000568400000000, 0.0017780700000000 ] - [ -0.0114811100000000, 0.0000000000000000, -0.0045848400000000 ] - [ -0.0111271900000000, -0.0005258200000000, -0.0029323400000000 ] - [ -0.0111271900000000, 0.0005258200000000, -0.0029323400000000 ] - [ -0.0333460700000000, 0.0000000000000000, -0.0139695300000000 ] - [ -0.0121890200000000, -0.0015700900000000, 0.0009177300000000 ] - [ -0.0121890200000000, 0.0015700900000000, 0.0009177300000000 ] - [ -0.0175694400000000, -0.0153890000000000, -0.0000139800000000 ] - [ -0.0175694400000000, 0.0153890000000000, -0.0000139800000000 ] - [ 0.0145831900000000, 0.0000000000000000, 0.0037782600000000 ] - [ 0.0101988500000000, -0.0007200900000000, 0.0003350200000000 ] - [ 0.0101988500000000, 0.0007200900000000, 0.0003350200000000 ] - [ 0.0103764500000000, 0.0000000000000000, 0.0011480800000000 ] - [ 0.0038563900000000, -0.0000641200000000, -0.0028765900000000 ] - [ 0.0038563900000000, 0.0000641200000000, -0.0028765900000000 ] - [ 0.0026813700000000, 0.0000000000000000, -0.0024600800000000 ] - [ 0.0037151600000000, 0.0024911900000000, 0.0014808900000000 ] - [ 0.0037151600000000, -0.0024911900000000, 0.0014808900000000 ] - [ 0.0035706300000000, 0.0000000000000000, -0.0012640800000000 ] - [ 0.0146071500000000, 0.0010105300000000, 0.0044650900000000 ] - [ 0.0146071500000000, -0.0010105300000000, 0.0044650900000000 ] - [ 0.0030948800000000, 0.0000000000000000, 0.0028025300000000 ] - [ -0.0003682100000000, -0.0000931400000000, 0.0027604300000000 ] - [ -0.0003682100000000, 0.0000931400000000, 0.0027604300000000 ] - [ -0.0006288400000000, 0.0000000000000000, 0.0026426700000000 ] - [ -0.0095792400000000, -0.0015832700000000, -0.0003428800000000 ] - [ -0.0095792400000000, 0.0015832700000000, -0.0003428800000000 ] - [ -0.0099752400000000, 0.0000000000000000, -0.0012868200000000 ] - [ -0.0076507800000000, -0.0026698200000000, -0.0014349600000000 ] - [ -0.0076507800000000, 0.0026698200000000, -0.0014349600000000 ] - [ -0.0089931000000000, 0.0000000000000000, -0.0016257900000000 ] - [ 0.0276338000000000, 0.0000000000000000, 0.0014494400000000 ] - [ 0.0117500400000000, 0.0015008200000000, 0.0016864100000000 ] - [ 0.0117500400000000, -0.0015008200000000, 0.0016864100000000 ] - [ 0.0112662000000000, 0.0000000000000000, 0.0033439200000000 ] - [ 0.0105839300000000, 0.0003868400000000, 0.0022754900000000 ] - [ 0.0105839300000000, -0.0003868400000000, 0.0022754900000000 ] - [ -0.0037643200000000, 0.0000000000000000, 0.0003394200000000 ] - [ -0.0003749800000000, 0.0001553500000000, -0.0024950400000000 ] - [ -0.0003749800000000, -0.0001553500000000, -0.0024950400000000 ] - [ 0.0135909200000000, 0.0000000000000000, -0.0153014900000000 ] - [ 0.0013902900000000, 0.0007567700000000, -0.0032567500000000 ] - [ 0.0013902900000000, -0.0007567700000000, -0.0032567500000000 ] - [ 0.0044368800000000, -0.0009763300000000, 0.0005923500000000 ] - [ 0.0044368800000000, 0.0009763300000000, 0.0005923500000000 ] - [ 0.0049620900000000, 0.0000000000000000, 0.0005686800000000 ] - [ 0.0007830700000000, -0.0072717200000000, -0.0013840500000000 ] - [ 0.0007830700000000, 0.0072717200000000, -0.0013840500000000 ] - [ 0.0034773600000000, 0.0000000000000000, 0.0011630800000000 ] - [ -0.0090897200000000, 0.0000000000000000, -0.0032005400000000 ] - [ 0.0009734000000000, -0.0005474900000000, -0.0044098000000000 ] - [ 0.0009734000000000, 0.0005474900000000, -0.0044098000000000 ] - [ 0.0023514400000000, 0.0000000000000000, -0.0149545900000000 ] - [ 0.0018577500000000, 0.0005987600000000, -0.0018518900000000 ] - [ 0.0018577500000000, -0.0005987600000000, -0.0018518900000000 ] - [ -0.0002012400000000, 0.0027766600000000, -0.0097772700000000 ] - [ -0.0002012400000000, -0.0027766600000000, -0.0097772700000000 ] - [ -0.0014224500000000, 0.0000000000000000, -0.0026216700000000 ] - [ -0.0031515200000000, -0.0007355600000000, 0.0024931800000000 ] - [ -0.0031515200000000, 0.0007355600000000, 0.0024931800000000 ] - [ -0.0019760900000000, 0.0000000000000000, 0.0021263900000000 ] - [ 0.0147727000000000, 0.0000000000000000, -0.0012278400000000 ] - [ -0.0067142900000000, -0.0049312400000000, -0.0005106300000000 ] - [ -0.0067142900000000, 0.0049312400000000, -0.0005106300000000 ] - [ -0.0053573500000000, 0.0000000000000000, -0.0013784700000000 ] - [ -0.0051878600000000, 0.0002667600000000, -0.0010817400000000 ] - [ -0.0051878600000000, -0.0002667600000000, -0.0010817400000000 ] - [ 0.0063510200000000, 0.0000000000000000, 0.0019132700000000 ] - [ 0.0054327800000000, 0.0003958400000000, 0.0012176700000000 ] - [ 0.0054327800000000, -0.0003958400000000, 0.0012176700000000 ] - [ 0.0078851900000000, 0.0000000000000000, 0.0012081500000000 ] - [ 0.0060393700000000, -0.0003844300000000, 0.0011587600000000 ] - [ 0.0060393700000000, 0.0003844300000000, 0.0011587600000000 ] - [ 0.0030664900000000, -0.0004682100000000, 0.0008719700000000 ] - [ 0.0030664900000000, 0.0004682100000000, 0.0008719700000000 ] - [ 0.0022434500000000, 0.0000000000000000, 0.0001378900000000 ] - [ 0.0021232200000000, -0.0001387700000000, 0.0023492600000000 ] - [ 0.0021232200000000, 0.0001387700000000, 0.0023492600000000 ] - [ 0.0020043500000000, 0.0000000000000000, 0.0014487400000000 ] - [ 0.0026478800000000, 0.0000000000000000, 0.0198555700000000 ] - [ -0.0020933100000000, 0.0009723600000000, 0.0023456500000000 ] - [ -0.0020933100000000, -0.0009723600000000, 0.0023456500000000 ] - [ -0.0007807200000000, 0.0000000000000000, -0.0033332800000000 ] - [ -0.0017441200000000, 0.0001875400000000, -0.0005375500000000 ] - [ -0.0017441200000000, -0.0001875400000000, -0.0005375500000000 ] - [ 0.0031190000000000, -0.0177701800000000, -0.0011410800000000 ] - [ 0.0031190000000000, 0.0177701800000000, -0.0011410800000000 ] - [ -0.0035442200000000, 0.0000000000000000, -0.0012112200000000 ] - [ -0.0049235900000000, -0.0009058800000000, -0.0011081400000000 ] - [ -0.0049235900000000, 0.0009058800000000, -0.0011081400000000 ] - [ -0.0049902000000000, 0.0000000000000000, -0.0010781700000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017717000000000, -0.0048676800000000, -0.0004580700000000 ] - [ -0.0026316800000000, 0.0026057100000000, 0.0089902800000000 ] - [ -0.0010209300000000, 0.0027429300000000, -0.0089823100000000 ] - [ -0.0016947100000000, -0.0099036100000000, 0.0001707200000000 ] - [ 0.0005772000000000, 0.0029101300000000, -0.0044438800000000 ] - [ -0.0041405600000000, 0.0029385700000000, 0.0043653900000000 ] - [ -0.0003085500000000, -0.2030655800000000, -0.0073674800000000 ] - [ 0.0062595100000000, 0.0521440400000000, -0.0058621900000000 ] - [ -0.0100392800000000, 0.0516817000000000, -0.0108695200000000 ] - [ -0.0018774000000000, -0.0018772500000000, -0.0084022700000000 ] - [ -0.0022701200000000, 0.0008367700000000, -0.0091353800000000 ] - [ -0.0014956600000000, 0.0008385700000000, -0.0076498400000000 ] - [ 0.0023042300000000, -0.0011874800000000, 0.0022472600000000 ] - [ 0.0015517200000000, -0.0012181500000000, 0.0145915500000000 ] - [ 0.0019003700000000, 0.0023863500000000, 0.0084035000000000 ] - [ 0.0024261000000000, -0.0055126800000000, 0.0505652000000000 ] - [ 0.0012179400000000, -0.0051516500000000, -0.0345012700000000 ] - [ 0.0018952100000000, 0.0113142200000000, 0.0083685300000000 ] - [ 0.0414265500000000, -0.0049911900000000, -0.0041851600000000 ] - [ -0.0383710300000000, -0.0047949600000000, 0.0043054900000000 ] - [ 0.0017920500000000, 0.0112825700000000, 0.0000431900000000 ] - [ 0.0012396600000000, -0.0009007300000000, 0.0021701100000000 ] - [ 0.0023987200000000, -0.0008944800000000, -0.0022013400000000 ] - [ 0.0018167700000000, 0.0017304900000000, 0.0000138800000000 ] - [ -0.0006863900000000, -0.0007363800000000, -0.0011702100000000 ] - [ -0.0029792200000000, -0.0007484600000000, 0.0010988800000000 ] - [ -0.0018260200000000, 0.0015157800000000, -0.0000312300000000 ] - [ 0.0044303600000000, -0.0012377400000000, 0.0040875200000000 ] - [ -0.0081418200000000, -0.0012368900000000, -0.0041996300000000 ] - [ -0.0018337600000000, 0.0030896500000000, -0.0000466800000000 ] - [ 0.0040601000000000, -0.0014178100000000, -0.0091551200000000 ] - [ -0.0080339700000000, -0.0014612000000000, -0.0075831300000000 ] - [ -0.0019183400000000, 0.0030305200000000, -0.0083784100000000 ] - [ -0.0012039200000000, -0.0005857600000000, -0.0070530400000000 ] - [ -0.0026119500000000, -0.0005964400000000, -0.0097648800000000 ] - [ -0.0019038700000000, 0.0011824200000000, -0.0083992400000000 ] - [ 0.0018562200000000, -0.0017866700000000, 0.0083176100000000 ] - [ 0.0030150300000000, 0.0008689500000000, 0.0099476800000000 ] - [ 0.0007669300000000, 0.0008856100000000, 0.0068085600000000 ] - [ 0.0018471800000000, -0.0046072000000000, 0.0083893400000000 ] - [ 0.0031469900000000, 0.0023632200000000, 0.0077242000000000 ] - [ 0.0006330300000000, 0.0023647600000000, 0.0090355600000000 ] - [ 0.0013671200000000, -0.0062436900000000, -0.0000360800000000 ] - [ 0.0106887700000000, 0.0023834700000000, 0.0019758700000000 ] - [ -0.0069816400000000, 0.0025155400000000, -0.0018777600000000 ] - [ 0.0018205100000000, -0.0011312400000000, 0.0000098000000000 ] - [ 0.0023317000000000, 0.0005909900000000, 0.0001544600000000 ] - [ 0.0012969300000000, 0.0006021900000000, -0.0001036900000000 ] - [ -0.0012589100000000, 0.0236254000000000, 0.0023522600000000 ] - [ -0.0130161500000000, -0.0020285500000000, 0.0040624100000000 ] - [ 0.0100547600000000, -0.0020007500000000, 0.0007246500000000 ] - [ -0.0014477800000000, 0.0000428800000000, 0.0024045500000000 ] - [ -0.0014717700000000, -0.0002474700000000, 0.0017831200000000 ] - [ -0.0014203000000000, -0.0002567200000000, 0.0030318800000000 ] - [ -0.0106271400000000, 0.0024688200000000, -0.0018066800000000 ] - [ -0.0099045700000000, -0.0011775100000000, -0.0022422500000000 ] - [ -0.0112891100000000, -0.0011892900000000, -0.0013799700000000 ] - [ -0.0106414100000000, 0.0239631400000000, -0.0012970800000000 ] - [ -0.0101334300000000, -0.0099444600000000, 0.0049904200000000 ] - [ -0.0110905800000000, -0.0098472600000000, -0.0085692800000000 ] - [ 0.0150623900000000, 0.0455800600000000, 0.0007161100000000 ] - [ 0.0049083500000000, 0.0501905100000000, 0.0022768400000000 ] - [ 0.0106282200000000, -0.0220629700000000, 0.0018215600000000 ] - [ 0.0111735800000000, 0.0007292900000000, 0.0023896100000000 ] - [ 0.0099899700000000, 0.0007413500000000, 0.0012326500000000 ] - [ 0.0105865400000000, -0.0013437700000000, 0.0018093600000000 ] - [ 0.0005800000000000, 0.0001256700000000, -0.0022645200000000 ] - [ 0.0022981200000000, 0.0001243900000000, -0.0025182600000000 ] - [ 0.0014397100000000, -0.0002762200000000, -0.0023974300000000 ] - [ -0.0073497300000000, -0.0004730600000000, -0.0076332000000000 ] - [ 0.0103314200000000, -0.0004698100000000, 0.0028967100000000 ] - [ 0.0014545700000000, -0.0009656800000000, -0.0023929600000000 ] - [ -0.0134868800000000, 0.0003349400000000, -0.0008130500000000 ] - [ 0.0108320600000000, 0.0003097100000000, 0.0056698700000000 ] - [ -0.0014129400000000, -0.0007500300000000, 0.0024024600000000 ] - [ -0.0021374000000000, 0.0000877000000000, 0.0022106100000000 ] - [ -0.0007140700000000, 0.0000880700000000, 0.0026020400000000 ] - [ -0.0014316200000000, -0.0002006300000000, 0.0024030800000000 ] - [ -0.0111488000000000, 0.0006684400000000, -0.0018178900000000 ] - [ -0.0100137700000000, 0.0006959700000000, -0.0017782400000000 ] - [ -0.0105845200000000, -0.0013716800000000, -0.0018046600000000 ] - [ -0.0137827900000000, 0.0011430800000000, -0.0033551800000000 ] - [ -0.0073576300000000, 0.0011723300000000, -0.0002535500000000 ] - [ -0.0105838400000000, -0.0024925000000000, -0.0018098600000000 ] - [ 0.0106554000000000, 0.0034079300000000, 0.0018061200000000 ] - [ 0.0094154700000000, -0.0016876900000000, 0.0019278300000000 ] - [ 0.0117799300000000, -0.0017024500000000, 0.0016837000000000 ] - [ 0.0105981200000000, 0.0011684500000000, 0.0018248000000000 ] - [ 0.0102953500000000, -0.0005908800000000, 0.0016191900000000 ] - [ 0.0108927800000000, -0.0005966200000000, 0.0020089700000000 ] - [ 0.0014871000000000, 0.0005924700000000, -0.0023653400000000 ] - [ 0.0000623500000000, -0.0001767200000000, -0.0031653400000000 ] - [ 0.0028273000000000, -0.0001821900000000, -0.0016314800000000 ] - [ 0.0014726500000000, 0.0007356200000000, -0.0024598900000000 ] - [ -0.0003730600000000, -0.0003297300000000, -0.0017650000000000 ] - [ 0.0032382200000000, -0.0003379500000000, -0.0030496000000000 ] - [ 0.0053034500000000, 0.0023766600000000, 0.0017607600000000 ] - [ 0.0048365200000000, 0.0025993700000000, 0.0004753300000000 ] - [ 0.0050879500000000, -0.0051005700000000, 0.0010767000000000 ] - [ 0.0065095300000000, 0.0040289100000000, 0.0001150500000000 ] - [ 0.0036285400000000, 0.0041199900000000, 0.0020159900000000 ] - [ 0.0050847000000000, -0.0051616100000000, 0.0010842700000000 ] - [ 0.0017876300000000, 0.0043666100000000, -0.0001236900000000 ] - [ 0.0017132400000000, -0.0044815400000000, -0.0114897700000000 ] - [ 0.0019878200000000, -0.0044399600000000, 0.0113888500000000 ] - [ 0.0018447200000000, 0.0011654400000000, -0.0000161600000000 ] - [ 0.0017389900000000, -0.0003391700000000, 0.0015910400000000 ] - [ 0.0019708100000000, -0.0003419900000000, -0.0015728200000000 ] - [ -0.0043944000000000, 0.0006973700000000, 0.0077401400000000 ] - [ 0.0006968400000000, 0.0007029900000000, -0.0078567000000000 ] - [ -0.0018558100000000, -0.0012304700000000, -0.0000296200000000 ] - [ 0.0002366000000000, 0.0010934500000000, -0.0086663700000000 ] - [ -0.0039536100000000, 0.0010288100000000, 0.0088433100000000 ] - [ -0.0018588400000000, -0.0014953700000000, 0.0000186900000000 ] - [ -0.0048122600000000, 0.0230559700000000, -0.0011282800000000 ] - [ -0.0004935200000000, -0.0082930800000000, -0.0011656500000000 ] - [ -0.0096722400000000, -0.0082380300000000, -0.0009976300000000 ] - [ -0.0050995300000000, 0.0019464200000000, -0.0010774400000000 ] - [ -0.0049830300000000, -0.0010520400000000, -0.0009851300000000 ] - [ -0.0052135300000000, -0.0010415100000000, -0.0011711200000000 ] - [ 0.0051038000000000, 0.0016600400000000, 0.0010862700000000 ] - [ 0.0049236000000000, -0.0008369500000000, 0.0009578600000000 ] - [ 0.0052691700000000, -0.0008443900000000, 0.0012088200000000 ] - [ 0.0051087000000000, 0.0039641000000000, 0.0010855000000000 ] - [ 0.0050254200000000, -0.0021715800000000, 0.0011819000000000 ] - [ 0.0051733400000000, -0.0021640300000000, 0.0009896900000000 ] - [ 0.0013584200000000, 0.0002005300000000, 0.0021833400000000 ] - [ 0.0023763400000000, 0.0002049100000000, -0.0021924800000000 ] - [ 0.0018599800000000, -0.0004102300000000, -0.0000015100000000 ] - [ 0.0012283700000000, 0.0001881700000000, -0.0022710100000000 ] - [ 0.0024953100000000, 0.0001878900000000, 0.0023294100000000 ] - [ 0.0018591900000000, -0.0003819800000000, 0.0000193300000000 ] - [ -0.0018397300000000, 0.0008124300000000, 0.0000736700000000 ] - [ -0.0023384000000000, -0.0003441100000000, -0.0016933900000000 ] - [ -0.0013806300000000, -0.0003553100000000, 0.0016955600000000 ] - [ -0.0018557800000000, 0.0004011900000000, 0.0000024200000000 ] - [ -0.0019891100000000, -0.0001997600000000, 0.0005560200000000 ] - [ -0.0017260900000000, -0.0002009700000000, -0.0005432600000000 ] - [ -0.0044131300000000, 0.0027737600000000, -0.0009739800000000 ] - [ -0.0056783100000000, 0.0030082000000000, -0.0012020700000000 ] - [ -0.0050881100000000, -0.0053637200000000, -0.0010860000000000 ] - [ -0.0052862000000000, 0.0005696400000000, -0.0011302900000000 ] - [ -0.0048962400000000, 0.0005844200000000, -0.0010301900000000 ] - [ -0.0050910100000000, -0.0011928000000000, -0.0010822000000000 ]- atom: 7 displacement: [ -0.0030415166827246, 0.0000000000000000, 0.0095262362068504 ] forces: - [ -0.0043084400000000, 0.0000000000000000, 0.1122979000000000 ] - [ 0.0017361200000000, 0.0141414200000000, -0.0010371400000000 ] - [ 0.0017361200000000, -0.0141414200000000, -0.0010371400000000 ] - [ -0.0368005400000000, 0.0000000000000000, 0.0333078200000000 ] - [ -0.0052597500000000, -0.0057427600000000, 0.0024333200000000 ] - [ -0.0052597500000000, 0.0057427600000000, 0.0024333200000000 ] - [ 0.1054065300000000, 0.0000000000000000, -0.2242552600000000 ] - [ -0.0004802300000000, 0.0000620600000000, -0.0167389400000000 ] - [ -0.0004802300000000, -0.0000620600000000, -0.0167389400000000 ] - [ -0.0079968500000000, 0.0000000000000000, 0.0067042200000000 ] - [ -0.0035345400000000, 0.0005898500000000, -0.0028537900000000 ] - [ -0.0035345400000000, -0.0005898500000000, -0.0028537900000000 ] - [ -0.0065302400000000, -0.0060082900000000, 0.0113731700000000 ] - [ -0.0065302400000000, 0.0060082900000000, 0.0113731700000000 ] - [ -0.0006656900000000, 0.0000000000000000, 0.0074117700000000 ] - [ 0.0165746200000000, 0.0401406000000000, 0.0128239600000000 ] - [ 0.0165746200000000, -0.0401406000000000, 0.0128239600000000 ] - [ 0.0050629800000000, 0.0000000000000000, 0.0094452500000000 ] - [ -0.0052083600000000, -0.0190252700000000, -0.0136120700000000 ] - [ -0.0052083600000000, 0.0190252700000000, -0.0136120700000000 ] - [ 0.0017138700000000, 0.0000000000000000, -0.0035259200000000 ] - [ 0.0008864400000000, 0.0003723200000000, 0.0093074500000000 ] - [ 0.0008864400000000, -0.0003723200000000, 0.0093074500000000 ] - [ 0.0014949500000000, 0.0000000000000000, 0.0033125200000000 ] - [ -0.0026938400000000, -0.0008404500000000, -0.0021811200000000 ] - [ -0.0026938400000000, 0.0008404500000000, -0.0021811200000000 ] - [ -0.0020372900000000, 0.0000000000000000, -0.0015974200000000 ] - [ 0.0030008300000000, 0.0009642500000000, 0.0021419700000000 ] - [ 0.0030008300000000, -0.0009642500000000, 0.0021419700000000 ] - [ -0.0012816700000000, 0.0000000000000000, 0.0014609000000000 ] - [ -0.0068203100000000, 0.0025983300000000, -0.0111650600000000 ] - [ -0.0068203100000000, -0.0025983300000000, -0.0111650600000000 ] - [ -0.0031324800000000, 0.0000000000000000, -0.0105193400000000 ] - [ -0.0002684700000000, -0.0010786800000000, -0.0042382000000000 ] - [ -0.0002684700000000, 0.0010786800000000, -0.0042382000000000 ] - [ -0.0009246000000000, 0.0000000000000000, -0.0059251600000000 ] - [ 0.0178807300000000, 0.0000000000000000, -0.0008439100000000 ] - [ 0.0043731200000000, 0.0011548600000000, 0.0055976300000000 ] - [ 0.0043731200000000, -0.0011548600000000, 0.0055976300000000 ] - [ -0.0058601500000000, 0.0000000000000000, 0.0138264200000000 ] - [ 0.0008982200000000, -0.0010025500000000, 0.0112142400000000 ] - [ 0.0008982200000000, 0.0010025500000000, 0.0112142400000000 ] - [ -0.0331973500000000, 0.0000000000000000, -0.0141124500000000 ] - [ 0.0013244100000000, -0.0044020900000000, -0.0036737100000000 ] - [ 0.0013244100000000, 0.0044020900000000, -0.0036737100000000 ] - [ 0.0041715200000000, 0.0000000000000000, 0.0124415800000000 ] - [ 0.0027835600000000, 0.0011730400000000, 0.0038260600000000 ] - [ 0.0027835600000000, -0.0011730400000000, 0.0038260600000000 ] - [ -0.0735557700000000, 0.0000000000000000, 0.0286456500000000 ] - [ -0.0019475900000000, 0.0011456700000000, 0.0044027200000000 ] - [ -0.0019475900000000, -0.0011456700000000, 0.0044027200000000 ] - [ 0.0008005800000000, 0.0000000000000000, -0.0089049500000000 ] - [ -0.0013685900000000, -0.0008265600000000, 0.0001027600000000 ] - [ -0.0013685900000000, 0.0008265600000000, 0.0001027600000000 ] - [ -0.0009083000000000, 0.0000000000000000, -0.0069796800000000 ] - [ -0.0099285400000000, -0.0026014400000000, -0.0031589200000000 ] - [ -0.0099285400000000, 0.0026014400000000, -0.0031589200000000 ] - [ -0.0148745300000000, 0.0000000000000000, 0.0069064500000000 ] - [ -0.0082572800000000, 0.0055207200000000, 0.0012642100000000 ] - [ -0.0082572800000000, -0.0055207200000000, 0.0012642100000000 ] - [ 0.0064516000000000, 0.0071160800000000, 0.0175601800000000 ] - [ 0.0064516000000000, -0.0071160800000000, 0.0175601800000000 ] - [ 0.0101013700000000, 0.0000000000000000, 0.0040908900000000 ] - [ 0.0122009400000000, 0.0012856600000000, -0.0007030100000000 ] - [ 0.0122009400000000, -0.0012856600000000, -0.0007030100000000 ] - [ 0.0114122000000000, 0.0000000000000000, 0.0007966200000000 ] - [ 0.0051410300000000, 0.0001786200000000, -0.0041228500000000 ] - [ 0.0051410300000000, -0.0001786200000000, -0.0041228500000000 ] - [ 0.0030068100000000, 0.0000000000000000, -0.0030092400000000 ] - [ -0.0077834400000000, -0.0008092000000000, 0.0012564100000000 ] - [ -0.0077834400000000, 0.0008092000000000, 0.0012564100000000 ] - [ -0.0003258400000000, 0.0000000000000000, -0.0014310700000000 ] - [ 0.0032949700000000, 0.0006264100000000, 0.0044366700000000 ] - [ 0.0032949700000000, -0.0006264100000000, 0.0044366700000000 ] - [ -0.0003463900000000, 0.0000000000000000, 0.0029643900000000 ] - [ -0.0027996900000000, 0.0000927800000000, 0.0013266800000000 ] - [ -0.0027996900000000, -0.0000927800000000, 0.0013266800000000 ] - [ -0.0021377200000000, 0.0000000000000000, 0.0019536000000000 ] - [ -0.0116691500000000, 0.0018852600000000, -0.0023914800000000 ] - [ -0.0116691500000000, -0.0018852600000000, -0.0023914800000000 ] - [ -0.0111808700000000, 0.0000000000000000, -0.0020884200000000 ] - [ -0.0103223300000000, -0.0016258300000000, -0.0014292000000000 ] - [ -0.0103223300000000, 0.0016258300000000, -0.0014292000000000 ] - [ -0.0102495200000000, 0.0000000000000000, -0.0016784200000000 ] - [ 0.0175204800000000, 0.0000000000000000, 0.0021112700000000 ] - [ 0.0111640400000000, 0.0007763900000000, 0.0021247100000000 ] - [ 0.0111640400000000, -0.0007763900000000, 0.0021247100000000 ] - [ 0.0085900500000000, 0.0000000000000000, -0.0003169000000000 ] - [ 0.0101288700000000, -0.0003988900000000, 0.0011569300000000 ] - [ 0.0101288700000000, 0.0003988900000000, 0.0011569300000000 ] - [ -0.0248304500000000, 0.0000000000000000, -0.0111058700000000 ] - [ -0.0022528000000000, -0.0006940600000000, -0.0031815900000000 ] - [ -0.0022528000000000, 0.0006940600000000, -0.0031815900000000 ] - [ 0.0156912900000000, 0.0000000000000000, -0.0042433000000000 ] - [ 0.0034234000000000, 0.0004717500000000, -0.0021689800000000 ] - [ 0.0034234000000000, -0.0004717500000000, -0.0021689800000000 ] - [ 0.0091795200000000, 0.0218320000000000, -0.0056963400000000 ] - [ 0.0091795200000000, -0.0218320000000000, -0.0056963400000000 ] - [ 0.0063885600000000, 0.0000000000000000, 0.0011738300000000 ] - [ 0.0069828300000000, -0.0076855500000000, 0.0000921200000000 ] - [ 0.0069828300000000, 0.0076855500000000, 0.0000921200000000 ] - [ 0.0053829900000000, 0.0000000000000000, 0.0005929600000000 ] - [ 0.0022290000000000, 0.0000000000000000, 0.0467684000000000 ] - [ 0.0016665800000000, -0.0013264400000000, 0.0076754600000000 ] - [ 0.0016665800000000, 0.0013264400000000, 0.0076754600000000 ] - [ 0.0044369500000000, 0.0000000000000000, -0.0185119800000000 ] - [ 0.0024401700000000, 0.0004167000000000, -0.0057061900000000 ] - [ 0.0024401700000000, -0.0004167000000000, -0.0057061900000000 ] - [ 0.0003116100000000, 0.0023678300000000, 0.0029520900000000 ] - [ 0.0003116100000000, -0.0023678300000000, 0.0029520900000000 ] - [ -0.0016382600000000, 0.0000000000000000, 0.0027375900000000 ] - [ -0.0024145300000000, -0.0026445700000000, -0.0097650200000000 ] - [ -0.0024145300000000, 0.0026445700000000, -0.0097650200000000 ] - [ -0.0018779000000000, 0.0000000000000000, -0.0031446700000000 ] - [ 0.0079478100000000, 0.0000000000000000, 0.0059861200000000 ] - [ -0.0063102000000000, -0.0020405800000000, 0.0000645000000000 ] - [ -0.0063102000000000, 0.0020405800000000, 0.0000645000000000 ] - [ -0.0037945600000000, 0.0000000000000000, -0.0029656200000000 ] - [ -0.0043811500000000, 0.0006578800000000, -0.0021342100000000 ] - [ -0.0043811500000000, -0.0006578800000000, -0.0021342100000000 ] - [ 0.0035829100000000, 0.0000000000000000, 0.0017507100000000 ] - [ 0.0050183200000000, -0.0004684400000000, 0.0013683500000000 ] - [ 0.0050183200000000, 0.0004684400000000, 0.0013683500000000 ] - [ 0.0053782000000000, 0.0000000000000000, 0.0008666600000000 ] - [ 0.0045115400000000, 0.0011906600000000, 0.0008577700000000 ] - [ 0.0045115400000000, -0.0011906600000000, 0.0008577700000000 ] - [ 0.0021619000000000, -0.0000782500000000, 0.0035849000000000 ] - [ 0.0021619000000000, 0.0000782500000000, 0.0035849000000000 ] - [ 0.0018771900000000, 0.0000000000000000, 0.0024587300000000 ] - [ 0.0016224200000000, -0.0000421000000000, -0.0040314800000000 ] - [ 0.0016224200000000, 0.0000421000000000, -0.0040314800000000 ] - [ 0.0018509400000000, 0.0000000000000000, -0.0026248800000000 ] - [ -0.0015289300000000, 0.0000000000000000, 0.0165552000000000 ] - [ -0.0022593800000000, 0.0001023200000000, 0.0045299100000000 ] - [ -0.0022593800000000, -0.0001023200000000, 0.0045299100000000 ] - [ -0.0012273000000000, 0.0000000000000000, -0.0106342100000000 ] - [ -0.0017468100000000, -0.0000121000000000, -0.0041756900000000 ] - [ -0.0017468100000000, 0.0000121000000000, -0.0041756900000000 ] - [ -0.0010513700000000, -0.0068604000000000, -0.0000584500000000 ] - [ -0.0010513700000000, 0.0068604000000000, -0.0000584500000000 ] - [ -0.0044615500000000, 0.0000000000000000, -0.0006754100000000 ] - [ -0.0056547500000000, 0.0017439200000000, -0.0021921200000000 ] - [ -0.0056547500000000, -0.0017439200000000, -0.0021921200000000 ] - [ -0.0054524800000000, 0.0000000000000000, -0.0015905600000000 ]- atom: 7 displacement: [ 0.0030415166827246, 0.0000000000000000, -0.0095262362068504 ] forces: - [ 0.0006277500000000, 0.0000000000000000, -0.1114847600000000 ] - [ -0.0053697900000000, -0.0141258500000000, 0.0009835800000000 ] - [ -0.0053697900000000, 0.0141258500000000, 0.0009835800000000 ] - [ 0.0339727200000000, 0.0000000000000000, -0.0337107400000000 ] - [ 0.0016629600000000, 0.0057589400000000, -0.0024653300000000 ] - [ 0.0016629600000000, -0.0057589400000000, -0.0024653300000000 ] - [ -0.1124157100000000, 0.0000000000000000, 0.2018024400000000 ] - [ -0.0033048300000000, -0.0001258200000000, 0.0000214800000000 ] - [ -0.0033048300000000, 0.0001258200000000, 0.0000214800000000 ] - [ 0.0041905800000000, 0.0000000000000000, -0.0233822100000000 ] - [ -0.0002575100000000, -0.0005901600000000, -0.0139176400000000 ] - [ -0.0002575100000000, 0.0005901600000000, -0.0139176400000000 ] - [ 0.0103014500000000, 0.0059800900000000, 0.0054483400000000 ] - [ 0.0103014500000000, -0.0059800900000000, 0.0054483400000000 ] - [ 0.0044532700000000, 0.0000000000000000, 0.0093524100000000 ] - [ -0.0129190200000000, -0.0405298200000000, 0.0038892900000000 ] - [ -0.0129190200000000, 0.0405298200000000, 0.0038892900000000 ] - [ -0.0013040500000000, 0.0000000000000000, 0.0073468900000000 ] - [ 0.0088850000000000, 0.0189014400000000, 0.0136367600000000 ] - [ 0.0088850000000000, -0.0189014400000000, 0.0136367600000000 ] - [ 0.0019466600000000, 0.0000000000000000, 0.0035938000000000 ] - [ 0.0027447900000000, -0.0003712200000000, -0.0091876700000000 ] - [ 0.0027447900000000, 0.0003712200000000, -0.0091876700000000 ] - [ 0.0021416800000000, 0.0000000000000000, -0.0032513200000000 ] - [ -0.0009479700000000, 0.0008364100000000, 0.0021108100000000 ] - [ -0.0009479700000000, -0.0008364100000000, 0.0021108100000000 ] - [ -0.0016000300000000, 0.0000000000000000, 0.0015261400000000 ] - [ -0.0066833100000000, -0.0009645100000000, -0.0022242000000000 ] - [ -0.0066833100000000, 0.0009645100000000, -0.0022242000000000 ] - [ -0.0023604100000000, 0.0000000000000000, -0.0015290000000000 ] - [ 0.0029793500000000, -0.0025781700000000, -0.0055974300000000 ] - [ 0.0029793500000000, 0.0025781700000000, -0.0055974300000000 ] - [ -0.0006669100000000, 0.0000000000000000, -0.0062461500000000 ] - [ -0.0035124400000000, 0.0010765600000000, -0.0125462400000000 ] - [ -0.0035124400000000, -0.0010765600000000, -0.0125462400000000 ] - [ -0.0028623600000000, 0.0000000000000000, -0.0108512900000000 ] - [ -0.0140082900000000, 0.0000000000000000, 0.0175855400000000 ] - [ -0.0005796700000000, -0.0011515400000000, 0.0111546800000000 ] - [ -0.0005796700000000, 0.0011515400000000, 0.0111546800000000 ] - [ 0.0096918600000000, 0.0000000000000000, 0.0029696500000000 ] - [ 0.0028859700000000, 0.0010107400000000, 0.0055609100000000 ] - [ 0.0028859700000000, -0.0010107400000000, 0.0055609100000000 ] - [ 0.0366626000000000, 0.0000000000000000, 0.0142368000000000 ] - [ 0.0022691400000000, 0.0043775700000000, 0.0037381800000000 ] - [ 0.0022691400000000, -0.0043775700000000, 0.0037381800000000 ] - [ -0.0005494300000000, 0.0000000000000000, -0.0123408200000000 ] - [ 0.0008495000000000, -0.0011683100000000, -0.0037597700000000 ] - [ 0.0008495000000000, 0.0011683100000000, -0.0037597700000000 ] - [ 0.0726375700000000, 0.0000000000000000, -0.0237124500000000 ] - [ -0.0008738200000000, -0.0011354700000000, 0.0003862000000000 ] - [ -0.0008738200000000, 0.0011354700000000, 0.0003862000000000 ] - [ -0.0036558500000000, 0.0000000000000000, 0.0136946600000000 ] - [ -0.0015140300000000, 0.0008255700000000, 0.0047018100000000 ] - [ -0.0015140300000000, -0.0008255700000000, 0.0047018100000000 ] - [ -0.0202720600000000, 0.0000000000000000, 0.0032968100000000 ] - [ -0.0112581500000000, 0.0025900500000000, -0.0004615000000000 ] - [ -0.0112581500000000, -0.0025900500000000, -0.0004615000000000 ] - [ -0.0063345000000000, 0.0000000000000000, -0.0129608100000000 ] - [ -0.0129934700000000, -0.0055901700000000, -0.0048943000000000 ] - [ -0.0129934700000000, 0.0055901700000000, -0.0048943000000000 ] - [ 0.0150034200000000, -0.0067000300000000, -0.0136755800000000 ] - [ 0.0150034200000000, 0.0067000300000000, -0.0136755800000000 ] - [ 0.0110250100000000, 0.0000000000000000, -0.0005077800000000 ] - [ 0.0089872300000000, -0.0012907600000000, 0.0043085600000000 ] - [ 0.0089872300000000, 0.0012907600000000, 0.0043085600000000 ] - [ 0.0097724300000000, 0.0000000000000000, 0.0028228600000000 ] - [ -0.0022464000000000, -0.0001772300000000, -0.0006876000000000 ] - [ -0.0022464000000000, 0.0001772300000000, -0.0006876000000000 ] - [ -0.0001249400000000, 0.0000000000000000, -0.0017925700000000 ] - [ 0.0107249300000000, 0.0007978500000000, -0.0060606300000000 ] - [ 0.0107249300000000, -0.0007978500000000, -0.0060606300000000 ] - [ 0.0032184000000000, 0.0000000000000000, -0.0033760800000000 ] - [ -0.0061427300000000, -0.0006261100000000, 0.0003512700000000 ] - [ -0.0061427300000000, 0.0006261100000000, 0.0003512700000000 ] - [ -0.0025365200000000, 0.0000000000000000, 0.0018271400000000 ] - [ -0.0000945800000000, -0.0000924100000000, 0.0034716800000000 ] - [ -0.0000945800000000, 0.0000924100000000, 0.0034716800000000 ] - [ -0.0007467700000000, 0.0000000000000000, 0.0028472400000000 ] - [ -0.0095131000000000, -0.0018837500000000, -0.0012226900000000 ] - [ -0.0095131000000000, 0.0018837500000000, -0.0012226900000000 ] - [ -0.0099995900000000, 0.0000000000000000, -0.0015265500000000 ] - [ -0.0108525300000000, 0.0016287800000000, -0.0021968200000000 ] - [ -0.0108525300000000, -0.0016287800000000, -0.0021968200000000 ] - [ -0.0109329900000000, 0.0000000000000000, -0.0019480200000000 ] - [ 0.0037497200000000, 0.0000000000000000, 0.0014677900000000 ] - [ 0.0100265500000000, -0.0007771000000000, 0.0014844400000000 ] - [ 0.0100265500000000, 0.0007771000000000, 0.0014844400000000 ] - [ 0.0125840300000000, 0.0000000000000000, 0.0039383800000000 ] - [ 0.0110533700000000, 0.0003988300000000, 0.0024636500000000 ] - [ 0.0110533700000000, -0.0003988300000000, 0.0024636500000000 ] - [ 0.0276795600000000, 0.0000000000000000, 0.0061788200000000 ] - [ 0.0051339800000000, 0.0006899500000000, -0.0016171500000000 ] - [ 0.0051339800000000, -0.0006899500000000, -0.0016171500000000 ] - [ -0.0129522800000000, 0.0000000000000000, -0.0005444500000000 ] - [ -0.0005506800000000, -0.0004734100000000, -0.0026498900000000 ] - [ -0.0005506800000000, 0.0004734100000000, -0.0026498900000000 ] - [ 0.0010059600000000, -0.0218761300000000, 0.0077886800000000 ] - [ 0.0010059600000000, 0.0218761300000000, 0.0077886800000000 ] - [ 0.0037936300000000, 0.0000000000000000, 0.0009904700000000 ] - [ 0.0031633000000000, 0.0076916400000000, 0.0020645100000000 ] - [ 0.0031633000000000, -0.0076916400000000, 0.0020645100000000 ] - [ 0.0047950600000000, 0.0000000000000000, 0.0015666200000000 ] - [ 0.0017217900000000, 0.0000000000000000, -0.0393650700000000 ] - [ 0.0020528800000000, 0.0013114500000000, -0.0076610400000000 ] - [ 0.0020528800000000, -0.0013114500000000, -0.0076610400000000 ] - [ -0.0007774700000000, 0.0000000000000000, 0.0183227100000000 ] - [ 0.0012753700000000, -0.0004195900000000, 0.0057163900000000 ] - [ 0.0012753700000000, 0.0004195900000000, 0.0057163900000000 ] - [ -0.0040057300000000, -0.0023412600000000, -0.0029685500000000 ] - [ -0.0040057300000000, 0.0023412600000000, -0.0029685500000000 ] - [ -0.0020799400000000, 0.0000000000000000, -0.0027400800000000 ] - [ -0.0012842300000000, 0.0026648600000000, 0.0096456600000000 ] - [ -0.0012842300000000, -0.0026648600000000, 0.0096456600000000 ] - [ -0.0018385200000000, 0.0000000000000000, 0.0031484500000000 ] - [ -0.0178793000000000, 0.0000000000000000, -0.0080548100000000 ] - [ -0.0039097600000000, 0.0020395200000000, -0.0022369700000000 ] - [ -0.0039097600000000, -0.0020395200000000, -0.0022369700000000 ] - [ -0.0063874700000000, 0.0000000000000000, 0.0007904600000000 ] - [ -0.0058012900000000, -0.0006449400000000, -0.0000343100000000 ] - [ -0.0058012900000000, 0.0006449400000000, -0.0000343100000000 ] - [ 0.0066010000000000, 0.0000000000000000, 0.0004162100000000 ] - [ 0.0051699500000000, 0.0004682900000000, 0.0007986300000000 ] - [ 0.0051699500000000, -0.0004682900000000, 0.0007986300000000 ] - [ 0.0048022900000000, 0.0000000000000000, 0.0012997600000000 ] - [ 0.0056814400000000, -0.0012036900000000, 0.0013091400000000 ] - [ 0.0056814400000000, 0.0012036900000000, 0.0013091400000000 ] - [ 0.0015593800000000, 0.0000781500000000, -0.0035756200000000 ] - [ 0.0015593800000000, -0.0000781500000000, -0.0035756200000000 ] - [ 0.0018402600000000, 0.0000000000000000, -0.0024467700000000 ] - [ 0.0020944200000000, 0.0000449100000000, 0.0040574000000000 ] - [ 0.0020944200000000, -0.0000449100000000, 0.0040574000000000 ] - [ 0.0018656200000000, 0.0000000000000000, 0.0026394900000000 ] - [ -0.0022058200000000, 0.0000000000000000, -0.0164726000000000 ] - [ -0.0014582900000000, -0.0001010400000000, -0.0045152400000000 ] - [ -0.0014582900000000, 0.0001010400000000, -0.0045152400000000 ] - [ -0.0024865000000000, 0.0000000000000000, 0.0106146100000000 ] - [ -0.0019694800000000, 0.0000108000000000, 0.0041714300000000 ] - [ -0.0019694800000000, -0.0000108000000000, 0.0041714300000000 ] - [ -0.0091080800000000, 0.0068112700000000, -0.0021117100000000 ] - [ -0.0091080800000000, -0.0068112700000000, -0.0021117100000000 ] - [ -0.0057118500000000, 0.0000000000000000, -0.0014938000000000 ] - [ -0.0045344000000000, -0.0017371200000000, 0.0000236500000000 ] - [ -0.0045344000000000, 0.0017371200000000, 0.0000236500000000 ] - [ -0.0047340700000000, 0.0000000000000000, -0.0005764800000000 ]- atom: 49 displacement: [ 0.0099999556214383, 0.0000000000000000, -0.0000297921007044 ] forces: - [ 0.0030829100000000, 0.0000000000000000, 0.0236070300000000 ] - [ 0.0003369400000000, 0.0017447700000000, 0.0033695500000000 ] - [ 0.0003369400000000, -0.0017447700000000, 0.0033695500000000 ] - [ 0.0334150000000000, 0.0000000000000000, 0.0080064800000000 ] - [ 0.0039932700000000, -0.0003534600000000, 0.0004767800000000 ] - [ 0.0039932700000000, 0.0003534600000000, 0.0004767800000000 ] - [ 0.1465354600000000, 0.0000000000000000, -0.0349885700000000 ] - [ 0.0062542800000000, 0.0115333400000000, -0.0063317700000000 ] - [ 0.0062542800000000, -0.0115333400000000, -0.0063317700000000 ] - [ -0.0008558700000000, 0.0000000000000000, -0.0057826800000000 ] - [ -0.0012512100000000, 0.0000285100000000, -0.0081249300000000 ] - [ -0.0012512100000000, -0.0000285100000000, -0.0081249300000000 ] - [ -0.0005100400000000, -0.0008550500000000, 0.0114827600000000 ] - [ -0.0005100400000000, 0.0008550500000000, 0.0114827600000000 ] - [ 0.0006539500000000, 0.0000000000000000, 0.0096266600000000 ] - [ -0.0004504600000000, -0.0088337800000000, -0.0020623400000000 ] - [ -0.0004504600000000, 0.0088337800000000, -0.0020623400000000 ] - [ -0.0002697100000000, 0.0000000000000000, 0.0058360900000000 ] - [ -0.0152847600000000, -0.0092466400000000, -0.0002026100000000 ] - [ -0.0152847600000000, 0.0092466400000000, -0.0002026100000000 ] - [ -0.0029693200000000, 0.0000000000000000, 0.0006493400000000 ] - [ 0.0006903100000000, -0.0001760500000000, -0.0039281600000000 ] - [ 0.0006903100000000, 0.0001760500000000, -0.0039281600000000 ] - [ 0.0008227800000000, 0.0000000000000000, -0.0018903600000000 ] - [ -0.0050378300000000, 0.0014439200000000, -0.0040492800000000 ] - [ -0.0050378300000000, -0.0014439200000000, -0.0040492800000000 ] - [ -0.0036982300000000, 0.0000000000000000, -0.0014660300000000 ] - [ -0.0096460400000000, 0.0007588900000000, -0.0012654600000000 ] - [ -0.0096460400000000, -0.0007588900000000, -0.0012654600000000 ] - [ -0.0055214000000000, 0.0000000000000000, -0.0006771300000000 ] - [ -0.0179269900000000, 0.0121911000000000, -0.0085243600000000 ] - [ -0.0179269900000000, -0.0121911000000000, -0.0085243600000000 ] - [ -0.0064349200000000, 0.0000000000000000, -0.0086766000000000 ] - [ -0.0029708000000000, 0.0007177000000000, -0.0101543200000000 ] - [ -0.0029708000000000, -0.0007177000000000, -0.0101543200000000 ] - [ -0.0027108000000000, 0.0000000000000000, -0.0093778300000000 ] - [ 0.0071114500000000, 0.0000000000000000, -0.0176421400000000 ] - [ 0.0037141900000000, -0.0013881800000000, 0.0050799400000000 ] - [ 0.0037141900000000, 0.0013881800000000, 0.0050799400000000 ] - [ -0.0102463200000000, 0.0000000000000000, 0.0195207800000000 ] - [ 0.0019698800000000, -0.0018037300000000, 0.0104943800000000 ] - [ 0.0019698800000000, 0.0018037300000000, 0.0104943800000000 ] - [ 0.0793950800000000, 0.0000000000000000, 0.0284402900000000 ] - [ 0.0097396300000000, -0.0166928900000000, 0.0012753300000000 ] - [ 0.0097396300000000, 0.0166928900000000, 0.0012753300000000 ] - [ 0.0029228400000000, 0.0000000000000000, 0.0035928800000000 ] - [ 0.0030639800000000, -0.0004921200000000, 0.0012334200000000 ] - [ 0.0030639800000000, 0.0004921200000000, 0.0012334200000000 ] - [ -0.3590223600000000, 0.0000000000000000, -0.0023555900000000 ] - [ -0.0125259100000000, 0.0003109700000000, 0.0021769600000000 ] - [ -0.0125259100000000, -0.0003109700000000, 0.0021769600000000 ] - [ -0.0035593400000000, 0.0000000000000000, -0.0002830300000000 ] - [ -0.0027044100000000, -0.0000993400000000, 0.0016369200000000 ] - [ -0.0027044100000000, 0.0000993400000000, 0.0016369200000000 ] - [ -0.0095804500000000, 0.0000000000000000, -0.0032517100000000 ] - [ -0.0106966300000000, -0.0003962600000000, -0.0022590900000000 ] - [ -0.0106966300000000, 0.0003962600000000, -0.0022590900000000 ] - [ -0.0004288600000000, 0.0000000000000000, 0.0257685800000000 ] - [ -0.0134230400000000, -0.0041578300000000, 0.0001963900000000 ] - [ -0.0134230400000000, 0.0041578300000000, 0.0001963900000000 ] - [ 0.0195486400000000, 0.0310623000000000, 0.0084367600000000 ] - [ 0.0195486400000000, -0.0310623000000000, 0.0084367600000000 ] - [ 0.0131908000000000, 0.0000000000000000, 0.0028298000000000 ] - [ 0.0106354400000000, -0.0000090300000000, 0.0013694800000000 ] - [ 0.0106354400000000, 0.0000090300000000, 0.0013694800000000 ] - [ 0.0106739600000000, 0.0000000000000000, 0.0016770100000000 ] - [ 0.0044404400000000, -0.0000138100000000, -0.0018383000000000 ] - [ 0.0044404400000000, 0.0000138100000000, -0.0018383000000000 ] - [ 0.0031910400000000, 0.0000000000000000, -0.0020528400000000 ] - [ 0.0097975400000000, 0.0012252500000000, -0.0006780900000000 ] - [ 0.0097975400000000, -0.0012252500000000, -0.0006780900000000 ] - [ 0.0052441700000000, 0.0000000000000000, -0.0019490200000000 ] - [ 0.0144245100000000, -0.0000527200000000, 0.0030132200000000 ] - [ 0.0144245100000000, 0.0000527200000000, 0.0030132200000000 ] - [ 0.0033867800000000, 0.0000000000000000, 0.0023688500000000 ] - [ 0.0006883000000000, -0.0001106600000000, 0.0033651300000000 ] - [ 0.0006883000000000, 0.0001106600000000, 0.0033651300000000 ] - [ -0.0000372400000000, 0.0000000000000000, 0.0029501300000000 ] - [ -0.0097576000000000, -0.0020618600000000, 0.0002700200000000 ] - [ -0.0097576000000000, 0.0020618600000000, 0.0002700200000000 ] - [ -0.0099858000000000, 0.0000000000000000, -0.0011078500000000 ] - [ -0.0073416500000000, -0.0040565400000000, -0.0028173300000000 ] - [ -0.0073416500000000, 0.0040565400000000, -0.0028173300000000 ] - [ -0.0088779100000000, 0.0000000000000000, -0.0022944700000000 ] - [ 0.0467557100000000, 0.0000000000000000, -0.0061993900000000 ] - [ 0.0109386500000000, 0.0036060400000000, 0.0007939300000000 ] - [ 0.0109386500000000, -0.0036060400000000, 0.0007939300000000 ] - [ 0.0107525800000000, 0.0000000000000000, 0.0039363900000000 ] - [ 0.0103872300000000, 0.0004301600000000, 0.0024045200000000 ] - [ 0.0103872300000000, -0.0004301600000000, 0.0024045200000000 ] - [ -0.0104006400000000, 0.0000000000000000, -0.0010121000000000 ] - [ -0.0014689100000000, 0.0000145000000000, -0.0025791400000000 ] - [ -0.0014689100000000, -0.0000145000000000, -0.0025791400000000 ] - [ 0.0153070000000000, 0.0000000000000000, -0.0341794100000000 ] - [ -0.0017132600000000, 0.0008540200000000, -0.0043602600000000 ] - [ -0.0017132600000000, -0.0008540200000000, -0.0043602600000000 ] - [ 0.0053779700000000, 0.0025487800000000, -0.0003873000000000 ] - [ 0.0053779700000000, -0.0025487800000000, -0.0003873000000000 ] - [ 0.0052451700000000, 0.0000000000000000, 0.0006265400000000 ] - [ 0.0014134100000000, -0.0002398400000000, 0.0012545400000000 ] - [ 0.0014134100000000, 0.0002398400000000, 0.0012545400000000 ] - [ 0.0036473200000000, 0.0000000000000000, 0.0012289800000000 ] - [ 0.0057504000000000, 0.0000000000000000, -0.0407100200000000 ] - [ 0.0014800700000000, -0.0009894500000000, -0.0036858900000000 ] - [ 0.0014800700000000, 0.0009894500000000, -0.0036858900000000 ] - [ 0.0003270800000000, 0.0000000000000000, -0.0048942400000000 ] - [ 0.0014758100000000, 0.0000058800000000, -0.0001469200000000 ] - [ 0.0014758100000000, -0.0000058800000000, -0.0001469200000000 ] - [ -0.0005942000000000, 0.0007984900000000, -0.0033814900000000 ] - [ -0.0005942000000000, -0.0007984900000000, -0.0033814900000000 ] - [ -0.0013783400000000, 0.0000000000000000, -0.0014561500000000 ] - [ -0.0022068100000000, 0.0006730500000000, 0.0058696800000000 ] - [ -0.0022068100000000, -0.0006730500000000, 0.0058696800000000 ] - [ -0.0018177600000000, 0.0000000000000000, 0.0023716300000000 ] - [ 0.0180639800000000, 0.0000000000000000, -0.0016636100000000 ] - [ -0.0036845700000000, -0.0029585800000000, -0.0014105900000000 ] - [ -0.0036845700000000, 0.0029585800000000, -0.0014105900000000 ] - [ -0.0053004600000000, 0.0000000000000000, -0.0006641300000000 ] - [ -0.0051714800000000, -0.0003217600000000, -0.0007490800000000 ] - [ -0.0051714800000000, 0.0003217600000000, -0.0007490800000000 ] - [ 0.0063156200000000, 0.0000000000000000, 0.0026314200000000 ] - [ 0.0053063900000000, 0.0007468600000000, 0.0014744800000000 ] - [ 0.0053063900000000, -0.0007468600000000, 0.0014744800000000 ] - [ 0.0084809700000000, 0.0000000000000000, 0.0002984300000000 ] - [ 0.0062488300000000, 0.0000883500000000, 0.0008637500000000 ] - [ 0.0062488300000000, -0.0000883500000000, 0.0008637500000000 ] - [ 0.0032261800000000, -0.0010102800000000, 0.0034605100000000 ] - [ 0.0032261800000000, 0.0010102800000000, 0.0034605100000000 ] - [ 0.0022423400000000, 0.0000000000000000, 0.0011195700000000 ] - [ 0.0022938900000000, -0.0001760600000000, 0.0015678400000000 ] - [ 0.0022938900000000, 0.0001760600000000, 0.0015678400000000 ] - [ 0.0020787100000000, 0.0000000000000000, 0.0009085900000000 ] - [ 0.0009363400000000, 0.0000000000000000, 0.0412442000000000 ] - [ -0.0026197800000000, 0.0013021700000000, 0.0036668900000000 ] - [ -0.0026197800000000, -0.0013021700000000, 0.0036668900000000 ] - [ -0.0003736500000000, 0.0000000000000000, -0.0062006400000000 ] - [ -0.0018297200000000, 0.0002384500000000, -0.0015513800000000 ] - [ -0.0018297200000000, -0.0002384500000000, -0.0015513800000000 ] - [ 0.0049164900000000, -0.0342010100000000, -0.0014758000000000 ] - [ 0.0049164900000000, 0.0342010100000000, -0.0014758000000000 ] - [ -0.0037685400000000, 0.0000000000000000, -0.0013543300000000 ] - [ -0.0051223400000000, -0.0007113500000000, -0.0012504300000000 ] - [ -0.0051223400000000, 0.0007113500000000, -0.0012504300000000 ] - [ -0.0051391600000000, 0.0000000000000000, -0.0011475400000000 ]- atom: 49 displacement: [ -0.0099999556214383, 0.0000000000000000, 0.0000297921007044 ] forces: - [ -0.0066689600000000, 0.0000000000000000, -0.0238221100000000 ] - [ -0.0039648500000000, -0.0017634500000000, -0.0034378900000000 ] - [ -0.0039648500000000, 0.0017634500000000, -0.0034378900000000 ] - [ -0.0369518300000000, 0.0000000000000000, -0.0090550700000000 ] - [ -0.0075620800000000, 0.0005369900000000, -0.0005559400000000 ] - [ -0.0075620800000000, -0.0005369900000000, -0.0005559400000000 ] - [ -0.1612372500000000, 0.0000000000000000, 0.0204638300000000 ] - [ -0.0101126200000000, -0.0115482800000000, -0.0104174800000000 ] - [ -0.0101126200000000, 0.0115482800000000, -0.0104174800000000 ] - [ -0.0029121300000000, 0.0000000000000000, -0.0111877900000000 ] - [ -0.0025276000000000, -0.0000198200000000, -0.0087008400000000 ] - [ -0.0025276000000000, 0.0000198200000000, -0.0087008400000000 ] - [ 0.0043007400000000, 0.0008627500000000, 0.0052540400000000 ] - [ 0.0043007400000000, -0.0008627500000000, 0.0052540400000000 ] - [ 0.0031319200000000, 0.0000000000000000, 0.0071273400000000 ] - [ 0.0041554400000000, 0.0088145600000000, 0.0188607900000000 ] - [ 0.0041554400000000, -0.0088145600000000, 0.0188607900000000 ] - [ 0.0040330000000000, 0.0000000000000000, 0.0109374600000000 ] - [ 0.0189087900000000, 0.0092926800000000, 0.0002835100000000 ] - [ 0.0189087900000000, -0.0092926800000000, 0.0002835100000000 ] - [ 0.0065962200000000, 0.0000000000000000, -0.0005762000000000 ] - [ 0.0029135500000000, 0.0001707400000000, 0.0039699000000000 ] - [ 0.0029135500000000, -0.0001707400000000, 0.0039699000000000 ] - [ 0.0027929100000000, 0.0000000000000000, 0.0019420900000000 ] - [ 0.0013796700000000, -0.0014269100000000, 0.0039552800000000 ] - [ 0.0013796700000000, 0.0014269100000000, 0.0039552800000000 ] - [ 0.0000511900000000, 0.0000000000000000, 0.0013900100000000 ] - [ 0.0060082400000000, -0.0007708600000000, 0.0011975200000000 ] - [ 0.0060082400000000, 0.0007708600000000, 0.0011975200000000 ] - [ 0.0018828100000000, 0.0000000000000000, 0.0006070800000000 ] - [ 0.0140649200000000, -0.0121105500000000, -0.0082053300000000 ] - [ 0.0140649200000000, 0.0121105500000000, -0.0082053300000000 ] - [ 0.0026287700000000, 0.0000000000000000, -0.0080790400000000 ] - [ -0.0008251200000000, -0.0007054500000000, -0.0066377500000000 ] - [ -0.0008251200000000, 0.0007054500000000, -0.0066377500000000 ] - [ -0.0010838400000000, 0.0000000000000000, -0.0074021100000000 ] - [ -0.0032701200000000, 0.0000000000000000, 0.0341144200000000 ] - [ 0.0000878200000000, 0.0013715000000000, 0.0116723500000000 ] - [ 0.0000878200000000, -0.0013715000000000, 0.0116723500000000 ] - [ 0.0141372500000000, 0.0000000000000000, -0.0027721100000000 ] - [ 0.0018501200000000, 0.0018109300000000, 0.0062877200000000 ] - [ 0.0018501200000000, -0.0018109300000000, 0.0062877200000000 ] - [ -0.0685958800000000, 0.0000000000000000, -0.0264841600000000 ] - [ -0.0060452000000000, 0.0165860900000000, -0.0011708200000000 ] - [ -0.0060452000000000, -0.0165860900000000, -0.0011708200000000 ] - [ 0.0007384400000000, 0.0000000000000000, -0.0035637800000000 ] - [ 0.0005843100000000, 0.0004896400000000, -0.0011767200000000 ] - [ 0.0005843100000000, -0.0004896400000000, -0.0011767200000000 ] - [ 0.3596610800000000, 0.0000000000000000, 0.0033683300000000 ] - [ 0.0096217900000000, -0.0003392600000000, 0.0025977100000000 ] - [ 0.0096217900000000, 0.0003392600000000, 0.0025977100000000 ] - [ 0.0006288500000000, 0.0000000000000000, 0.0051276600000000 ] - [ -0.0001963400000000, 0.0001005100000000, 0.0031714800000000 ] - [ -0.0001963400000000, -0.0001005100000000, 0.0031714800000000 ] - [ -0.0116306700000000, 0.0000000000000000, -0.0003232600000000 ] - [ -0.0104875000000000, 0.0003983700000000, -0.0013467800000000 ] - [ -0.0104875000000000, -0.0003983700000000, -0.0013467800000000 ] - [ -0.0207309500000000, 0.0000000000000000, -0.0296642300000000 ] - [ -0.0077451100000000, 0.0041455100000000, -0.0038340800000000 ] - [ -0.0077451100000000, -0.0041455100000000, -0.0038340800000000 ] - [ 0.0016654300000000, -0.0313173200000000, -0.0048897600000000 ] - [ 0.0016654300000000, 0.0313173200000000, -0.0048897600000000 ] - [ 0.0079944400000000, 0.0000000000000000, 0.0007796100000000 ] - [ 0.0105578100000000, 0.0000211200000000, 0.0022727700000000 ] - [ 0.0105578100000000, -0.0000211200000000, 0.0022727700000000 ] - [ 0.0105177900000000, 0.0000000000000000, 0.0019558100000000 ] - [ -0.0015444900000000, 0.0000130400000000, -0.0029501900000000 ] - [ -0.0015444900000000, -0.0000130400000000, -0.0029501900000000 ] - [ -0.0003023000000000, 0.0000000000000000, -0.0027421000000000 ] - [ -0.0068888100000000, -0.0012206000000000, -0.0041389700000000 ] - [ -0.0068888100000000, 0.0012206000000000, -0.0041389700000000 ] - [ -0.0023489000000000, 0.0000000000000000, -0.0028564600000000 ] - [ -0.0172700000000000, 0.0000525500000000, 0.0017712100000000 ] - [ -0.0172700000000000, -0.0000525500000000, 0.0017712100000000 ] - [ -0.0062574700000000, 0.0000000000000000, 0.0024247800000000 ] - [ -0.0035492800000000, 0.0001098200000000, 0.0014450400000000 ] - [ -0.0035492800000000, -0.0001098200000000, 0.0014450400000000 ] - [ -0.0028313000000000, 0.0000000000000000, 0.0018552500000000 ] - [ -0.0114168500000000, 0.0020291400000000, -0.0038697200000000 ] - [ -0.0114168500000000, -0.0020291400000000, -0.0038697200000000 ] - [ -0.0111901000000000, 0.0000000000000000, -0.0025057700000000 ] - [ -0.0138415200000000, 0.0040731400000000, -0.0008277600000000 ] - [ -0.0138415200000000, -0.0040731400000000, -0.0008277600000000 ] - [ -0.0123082100000000, 0.0000000000000000, -0.0013406000000000 ] - [ -0.0252108900000000, 0.0000000000000000, 0.0097836600000000 ] - [ 0.0102429000000000, -0.0035781600000000, 0.0028025700000000 ] - [ 0.0102429000000000, 0.0035781600000000, 0.0028025700000000 ] - [ 0.0104236000000000, 0.0000000000000000, -0.0002762400000000 ] - [ 0.0107910400000000, -0.0004236300000000, 0.0012216000000000 ] - [ 0.0107910400000000, 0.0004236300000000, 0.0012216000000000 ] - [ 0.0132193400000000, 0.0000000000000000, -0.0037596700000000 ] - [ 0.0043370300000000, -0.0000134900000000, -0.0022165200000000 ] - [ 0.0043370300000000, 0.0000134900000000, -0.0022165200000000 ] - [ -0.0125362000000000, 0.0000000000000000, 0.0290802700000000 ] - [ 0.0045323500000000, -0.0008542300000000, -0.0004652600000000 ] - [ 0.0045323500000000, 0.0008542300000000, -0.0004652600000000 ] - [ 0.0048016700000000, -0.0025817000000000, 0.0025612200000000 ] - [ 0.0048016700000000, 0.0025817000000000, 0.0025612200000000 ] - [ 0.0049368500000000, 0.0000000000000000, 0.0015409800000000 ] - [ 0.0088260000000000, 0.0005387700000000, 0.0010546400000000 ] - [ 0.0088260000000000, -0.0005387700000000, 0.0010546400000000 ] - [ 0.0065601600000000, 0.0000000000000000, 0.0009409600000000 ] - [ -0.0019215900000000, 0.0000000000000000, 0.0411652400000000 ] - [ 0.0022399200000000, 0.0009908300000000, 0.0036850700000000 ] - [ 0.0022399200000000, -0.0009908300000000, 0.0036850700000000 ] - [ 0.0033735900000000, 0.0000000000000000, 0.0054132100000000 ] - [ 0.0022314600000000, -0.0000273100000000, 0.0002204200000000 ] - [ 0.0022314600000000, 0.0000273100000000, 0.0002204200000000 ] - [ -0.0031227100000000, -0.0008013900000000, 0.0033951200000000 ] - [ -0.0031227100000000, 0.0008013900000000, 0.0033951200000000 ] - [ -0.0023380200000000, 0.0000000000000000, 0.0014550800000000 ] - [ -0.0014953800000000, -0.0006745600000000, -0.0058664900000000 ] - [ -0.0014953800000000, 0.0006745600000000, -0.0058664900000000 ] - [ -0.0018952200000000, 0.0000000000000000, -0.0023668300000000 ] - [ -0.0284700300000000, 0.0000000000000000, -0.0005345800000000 ] - [ -0.0064955200000000, 0.0029792500000000, -0.0007593300000000 ] - [ -0.0064955200000000, -0.0029792500000000, -0.0007593300000000 ] - [ -0.0048765300000000, 0.0000000000000000, -0.0014942300000000 ] - [ -0.0050112100000000, 0.0003216300000000, -0.0014131600000000 ] - [ -0.0050112100000000, -0.0003216300000000, -0.0014131600000000 ] - [ 0.0038874800000000, 0.0000000000000000, -0.0004537700000000 ] - [ 0.0048813500000000, -0.0007365000000000, 0.0006930800000000 ] - [ 0.0048813500000000, 0.0007365000000000, 0.0006930800000000 ] - [ 0.0016821900000000, 0.0000000000000000, 0.0018726500000000 ] - [ 0.0039370100000000, -0.0000902100000000, 0.0013020000000000 ] - [ 0.0039370100000000, 0.0000902100000000, 0.0013020000000000 ] - [ 0.0004962100000000, 0.0010065100000000, -0.0034448200000000 ] - [ 0.0004962100000000, -0.0010065100000000, -0.0034448200000000 ] - [ 0.0014738000000000, 0.0000000000000000, -0.0011098900000000 ] - [ 0.0014200100000000, 0.0001759500000000, -0.0015420600000000 ] - [ 0.0014200100000000, -0.0001759500000000, -0.0015420600000000 ] - [ 0.0016368600000000, 0.0000000000000000, -0.0008939400000000 ] - [ -0.0047740000000000, 0.0000000000000000, -0.0405943400000000 ] - [ -0.0011029900000000, -0.0012938400000000, -0.0036556000000000 ] - [ -0.0011029900000000, 0.0012938400000000, -0.0036556000000000 ] - [ -0.0033471300000000, 0.0000000000000000, 0.0062201100000000 ] - [ -0.0018893700000000, -0.0002394100000000, 0.0015532300000000 ] - [ -0.0018893700000000, 0.0002394100000000, 0.0015532300000000 ] - [ -0.0150962100000000, 0.0338021100000000, -0.0007279200000000 ] - [ -0.0150962100000000, -0.0338021100000000, -0.0007279200000000 ] - [ -0.0063992400000000, 0.0000000000000000, -0.0008227000000000 ] - [ -0.0050694900000000, 0.0007084200000000, -0.0009111300000000 ] - [ -0.0050694900000000, -0.0007084200000000, -0.0009111300000000 ] - [ -0.0050504200000000, 0.0000000000000000, -0.0010168100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018199600000000, 0.0005943700000000, -0.0000140900000000 ] - [ -0.0016121000000000, -0.0001570600000000, -0.0005583400000000 ] - [ -0.0020189900000000, -0.0001636700000000, 0.0004822900000000 ] - [ -0.0018003200000000, 0.0083678700000000, 0.0000695500000000 ] - [ -0.0025492800000000, -0.0049353500000000, 0.0007936900000000 ] - [ -0.0010992600000000, -0.0048970500000000, -0.0008508000000000 ] - [ -0.0013555000000000, 0.0236250800000000, -0.0084383500000000 ] - [ 0.0000737700000000, -0.0020234300000000, -0.0089573400000000 ] - [ -0.0038435700000000, -0.0020055300000000, -0.0078138400000000 ] - [ -0.0018980300000000, 0.0000426700000000, -0.0083886400000000 ] - [ -0.0018368100000000, -0.0002495300000000, -0.0074895500000000 ] - [ -0.0019525600000000, -0.0002546900000000, -0.0092615100000000 ] - [ 0.0019601200000000, 0.0001199300000000, 0.0085942700000000 ] - [ 0.0018315100000000, 0.0001298200000000, 0.0081790900000000 ] - [ 0.0018946100000000, -0.0002760800000000, 0.0083849600000000 ] - [ -0.0005725400000000, -0.0005012300000000, 0.0067567100000000 ] - [ 0.0043859500000000, -0.0004418200000000, 0.0100277600000000 ] - [ 0.0018987900000000, -0.0009660600000000, 0.0083852500000000 ] - [ 0.0012405100000000, 0.0003524900000000, 0.0004704400000000 ] - [ 0.0024176200000000, 0.0004188600000000, -0.0003974600000000 ] - [ 0.0018184100000000, -0.0005599900000000, 0.0000333000000000 ] - [ 0.0017825400000000, 0.0001527500000000, -0.0004303200000000 ] - [ 0.0018535300000000, 0.0001588900000000, 0.0004994500000000 ] - [ 0.0018179700000000, -0.0003267100000000, 0.0000360800000000 ] - [ -0.0018488400000000, 0.0001144000000000, 0.0002239100000000 ] - [ -0.0017877000000000, 0.0001202000000000, -0.0002896400000000 ] - [ -0.0018175200000000, -0.0002522300000000, -0.0000341000000000 ] - [ -0.0025103900000000, 0.0000881000000000, -0.0004163200000000 ] - [ -0.0011261500000000, 0.0001003700000000, 0.0003428200000000 ] - [ -0.0018156300000000, -0.0005283700000000, -0.0000343800000000 ] - [ -0.0009088200000000, 0.0002847200000000, -0.0087136900000000 ] - [ -0.0029011400000000, 0.0003601300000000, -0.0080353700000000 ] - [ -0.0018983200000000, -0.0007504300000000, -0.0083844800000000 ] - [ -0.0019896700000000, 0.0000854400000000, -0.0085135900000000 ] - [ -0.0018001200000000, 0.0000901800000000, -0.0082593300000000 ] - [ -0.0018947800000000, -0.0002001100000000, -0.0083855000000000 ] - [ 0.0018980600000000, 0.0005928100000000, 0.0083925200000000 ] - [ 0.0017372900000000, -0.0001776800000000, 0.0076006600000000 ] - [ 0.0020508200000000, -0.0001814400000000, 0.0091538400000000 ] - [ 0.0019057000000000, 0.0007357200000000, 0.0083537700000000 ] - [ 0.0011305500000000, -0.0003305100000000, 0.0086399200000000 ] - [ 0.0026449800000000, -0.0003368400000000, 0.0081312000000000 ] - [ 0.0013678200000000, 0.0109629700000000, -0.0001403400000000 ] - [ 0.0009263400000000, -0.0041695200000000, -0.0002423900000000 ] - [ 0.0027027100000000, -0.0041282400000000, 0.0003054400000000 ] - [ 0.0018198600000000, 0.0001945300000000, 0.0000326800000000 ] - [ 0.0016754100000000, -0.0000991500000000, 0.0000744500000000 ] - [ 0.0019551400000000, -0.0001033900000000, -0.0000059400000000 ] - [ -0.0015626600000000, -0.0342439500000000, 0.0025103300000000 ] - [ -0.0017663200000000, 0.0011116800000000, 0.0025518100000000 ] - [ -0.0011174800000000, 0.0011038200000000, 0.0022489000000000 ] - [ -0.0014386100000000, -0.0000354400000000, 0.0023986700000000 ] - [ -0.0013400700000000, 0.0000168600000000, 0.0023661100000000 ] - [ -0.0015400700000000, 0.0000174100000000, 0.0024326800000000 ] - [ -0.0105875700000000, -0.0001471600000000, -0.0018087900000000 ] - [ -0.0106894400000000, 0.0001382300000000, -0.0018735900000000 ] - [ -0.0104950800000000, 0.0001435200000000, -0.0017478400000000 ] - [ -0.0105333800000000, -0.0039368800000000, -0.0017612000000000 ] - [ -0.0111676100000000, 0.0005998300000000, -0.0016377400000000 ] - [ -0.0100263100000000, 0.0006069900000000, -0.0019880400000000 ] - [ 0.0161116800000000, -0.0017843900000000, 0.0021694500000000 ] - [ 0.0049932700000000, -0.0017497300000000, 0.0014311200000000 ] - [ 0.0105875400000000, 0.0009590100000000, 0.0018079200000000 ] - [ 0.0105629700000000, -0.0000795400000000, 0.0018338500000000 ] - [ 0.0106189800000000, -0.0000852900000000, 0.0017841600000000 ] - [ 0.0105913800000000, 0.0004368600000000, 0.0018086600000000 ] - [ 0.0014267700000000, 0.0000016000000000, -0.0023992900000000 ] - [ 0.0014543600000000, 0.0000007200000000, -0.0024007700000000 ] - [ 0.0014389400000000, 0.0000369800000000, -0.0024006900000000 ] - [ 0.0026601300000000, 0.0002550500000000, -0.0021317800000000 ] - [ 0.0002136300000000, 0.0002524100000000, -0.0026705000000000 ] - [ 0.0014373200000000, 0.0000985100000000, -0.0023986300000000 ] - [ -0.0013880700000000, 0.0002103800000000, 0.0026564400000000 ] - [ -0.0014962300000000, 0.0002033600000000, 0.0021393700000000 ] - [ -0.0014384100000000, 0.0000534900000000, 0.0024000500000000 ] - [ -0.0013301500000000, -0.0000224000000000, 0.0024255400000000 ] - [ -0.0015518400000000, -0.0000236500000000, 0.0023741400000000 ] - [ -0.0014411000000000, 0.0000391600000000, 0.0023998700000000 ] - [ -0.0105701900000000, -0.0002026700000000, -0.0018622100000000 ] - [ -0.0106123500000000, -0.0002083200000000, -0.0017560000000000 ] - [ -0.0105905200000000, 0.0002992900000000, -0.0018087300000000 ] - [ -0.0103618300000000, -0.0002738200000000, -0.0015436200000000 ] - [ -0.0108197600000000, -0.0002874000000000, -0.0020718000000000 ] - [ -0.0105918700000000, 0.0006927000000000, -0.0018100500000000 ] - [ 0.0104921200000000, 0.0011220800000000, 0.0018518000000000 ] - [ 0.0111841900000000, 0.0005603100000000, 0.0016359000000000 ] - [ 0.0100110500000000, 0.0005700500000000, 0.0019825100000000 ] - [ 0.0105892000000000, -0.0001969400000000, 0.0018086300000000 ] - [ 0.0106577000000000, 0.0000875600000000, 0.0018690500000000 ] - [ 0.0105273100000000, 0.0000893400000000, 0.0017513800000000 ] - [ 0.0014365700000000, -0.0002339200000000, -0.0024030400000000 ] - [ 0.0014549500000000, 0.0000453300000000, -0.0022703800000000 ] - [ 0.0014262800000000, 0.0000455000000000, -0.0025277300000000 ] - [ 0.0013991500000000, -0.0062920500000000, -0.0023435700000000 ] - [ 0.0023023000000000, 0.0002208200000000, -0.0025794200000000 ] - [ 0.0005952100000000, 0.0002205300000000, -0.0022235100000000 ] - [ 0.0051565800000000, -0.0003043400000000, 0.0010597100000000 ] - [ 0.0050299600000000, -0.0003127800000000, 0.0011057000000000 ] - [ 0.0050937600000000, 0.0003513800000000, 0.0010834400000000 ] - [ 0.0062096300000000, 0.0054344400000000, 0.0071136900000000 ] - [ 0.0039461200000000, 0.0055348300000000, -0.0050404300000000 ] - [ 0.0050923400000000, 0.0018873300000000, 0.0010817500000000 ] - [ 0.0018695300000000, -0.0021703200000000, -0.0000412900000000 ] - [ 0.0016782600000000, 0.0002494000000000, 0.0005725500000000 ] - [ 0.0020346300000000, 0.0002484200000000, -0.0005553000000000 ] - [ 0.0018583100000000, 0.0023928500000000, 0.0000366000000000 ] - [ 0.0020166400000000, 0.0005341100000000, -0.0013638200000000 ] - [ 0.0017022700000000, 0.0005300200000000, 0.0013416900000000 ] - [ -0.0018320200000000, -0.0000693500000000, -0.0004384900000000 ] - [ -0.0018840500000000, -0.0000746900000000, 0.0004279900000000 ] - [ -0.0018580200000000, 0.0000898800000000, -0.0000050000000000 ] - [ -0.0016394400000000, -0.0000928800000000, 0.0007519500000000 ] - [ -0.0020788100000000, -0.0000972700000000, -0.0007593700000000 ] - [ -0.0018582800000000, 0.0001639700000000, -0.0000059500000000 ] - [ -0.0050228800000000, -0.0015167700000000, -0.0010874100000000 ] - [ -0.0052788700000000, 0.0001995900000000, -0.0010312500000000 ] - [ -0.0049148600000000, 0.0002119100000000, -0.0011346300000000 ] - [ -0.0050928100000000, -0.0003204300000000, -0.0010828800000000 ] - [ -0.0051391900000000, 0.0001853400000000, -0.0011233800000000 ] - [ -0.0050504300000000, 0.0001881900000000, -0.0010438600000000 ] - [ 0.0050924100000000, -0.0002384000000000, 0.0010824400000000 ] - [ 0.0051419100000000, 0.0001226000000000, 0.0011191000000000 ] - [ 0.0050475300000000, 0.0001242300000000, 0.0010466600000000 ] - [ 0.0050874900000000, -0.0005352600000000, 0.0010875400000000 ] - [ 0.0051631500000000, 0.0003686200000000, 0.0010821300000000 ] - [ 0.0050277600000000, 0.0003760700000000, 0.0010850600000000 ] - [ 0.0017916600000000, -0.0000622100000000, -0.0003606900000000 ] - [ 0.0019267300000000, -0.0000666500000000, 0.0003608100000000 ] - [ 0.0018576500000000, 0.0000964100000000, 0.0000044800000000 ] - [ 0.0018992100000000, -0.0000273000000000, 0.0002408500000000 ] - [ 0.0018151400000000, -0.0000296100000000, -0.0002294600000000 ] - [ 0.0018577500000000, 0.0000571900000000, 0.0000041000000000 ] - [ -0.0018613500000000, -0.0020988900000000, -0.0000253500000000 ] - [ -0.0017833100000000, 0.0002961100000000, 0.0007945400000000 ] - [ -0.0019310400000000, 0.0002937500000000, -0.0007837100000000 ] - [ -0.0018603100000000, 0.0000451400000000, 0.0000016400000000 ] - [ -0.0018080000000000, 0.0000296400000000, -0.0001829600000000 ] - [ -0.0019067800000000, 0.0000313000000000, 0.0001752200000000 ] - [ -0.0114392500000000, 0.0033268100000000, -0.0021440000000000 ] - [ 0.0013665300000000, 0.0034137800000000, -0.0000150800000000 ] - [ -0.0050901600000000, 0.0021192900000000, -0.0010842600000000 ] - [ -0.0050706900000000, -0.0001059800000000, -0.0010793400000000 ] - [ -0.0051172100000000, -0.0001132700000000, -0.0010865600000000 ] - [ -0.0050932900000000, 0.0002217600000000, -0.0010833400000000 ]- atom: 49 displacement: [ -0.0030415166827246, 0.0000000000000000, 0.0095262362068504 ] forces: - [ -0.0012705300000000, 0.0000000000000000, -0.0210137800000000 ] - [ -0.0021817700000000, -0.0017634400000000, -0.0018070700000000 ] - [ -0.0021817700000000, 0.0017634400000000, -0.0018070700000000 ] - [ -0.0088697500000000, 0.0000000000000000, -0.0109285700000000 ] - [ -0.0013635000000000, 0.0070796900000000, 0.0006437900000000 ] - [ -0.0013635000000000, -0.0070796900000000, 0.0006437900000000 ] - [ -0.0758074500000000, 0.0000000000000000, 0.0176818300000000 ] - [ -0.0047517800000000, -0.0050879800000000, -0.0071145700000000 ] - [ -0.0047517800000000, 0.0050879800000000, -0.0071145700000000 ] - [ -0.0013647100000000, 0.0000000000000000, -0.0201341400000000 ] - [ -0.0015014800000000, 0.0005801800000000, -0.0105698400000000 ] - [ -0.0015014800000000, -0.0005801800000000, -0.0105698400000000 ] - [ 0.0030785800000000, 0.0003858000000000, 0.0058730300000000 ] - [ 0.0030785800000000, -0.0003858000000000, 0.0058730300000000 ] - [ 0.0023276600000000, 0.0000000000000000, 0.0074184800000000 ] - [ -0.0010482500000000, -0.0023610700000000, 0.0140363600000000 ] - [ -0.0010482500000000, 0.0023610700000000, 0.0140363600000000 ] - [ 0.0014741400000000, 0.0000000000000000, 0.0097808300000000 ] - [ 0.0081838500000000, 0.0051718400000000, 0.0008171400000000 ] - [ 0.0081838500000000, -0.0051718400000000, 0.0008171400000000 ] - [ 0.0034570600000000, 0.0000000000000000, 0.0001104400000000 ] - [ 0.0010010100000000, -0.0003781600000000, -0.0004989600000000 ] - [ 0.0010010100000000, 0.0003781600000000, -0.0004989600000000 ] - [ 0.0014834300000000, 0.0000000000000000, 0.0000206900000000 ] - [ -0.0018716500000000, 0.0003158200000000, 0.0003196500000000 ] - [ -0.0018716500000000, -0.0003158200000000, 0.0003196500000000 ] - [ -0.0017436500000000, 0.0000000000000000, 0.0000950300000000 ] - [ 0.0002129400000000, -0.0009523800000000, 0.0007058500000000 ] - [ 0.0002129400000000, 0.0009523800000000, 0.0007058500000000 ] - [ -0.0008340200000000, 0.0000000000000000, 0.0001642400000000 ] - [ 0.0010469300000000, -0.0006205500000000, -0.0069259700000000 ] - [ 0.0010469300000000, 0.0006205500000000, -0.0069259700000000 ] - [ -0.0008933900000000, 0.0000000000000000, -0.0078475600000000 ] - [ -0.0019134400000000, -0.0000310800000000, -0.0090278000000000 ] - [ -0.0019134400000000, 0.0000310800000000, -0.0090278000000000 ] - [ -0.0018795300000000, 0.0000000000000000, -0.0086035800000000 ] - [ -0.0023152100000000, 0.0000000000000000, 0.0068512500000000 ] - [ 0.0014307500000000, -0.0003061900000000, 0.0086421500000000 ] - [ 0.0014307500000000, 0.0003061900000000, 0.0086421500000000 ] - [ 0.0178291600000000, 0.0000000000000000, 0.0070577200000000 ] - [ 0.0026883900000000, 0.0011560700000000, 0.0082382000000000 ] - [ 0.0026883900000000, -0.0011560700000000, 0.0082382000000000 ] - [ -0.0011282100000000, 0.0000000000000000, 0.0181218700000000 ] - [ 0.0001253800000000, 0.0020925900000000, 0.0011958000000000 ] - [ 0.0001253800000000, -0.0020925900000000, 0.0011958000000000 ] - [ 0.0030711300000000, 0.0000000000000000, -0.0056461600000000 ] - [ 0.0019861700000000, 0.0001301500000000, -0.0010523800000000 ] - [ 0.0019861700000000, -0.0001301500000000, -0.0010523800000000 ] - [ 0.1058926600000000, 0.0000000000000000, -0.0880582200000000 ] - [ 0.0017298000000000, -0.0002441000000000, 0.0007696100000000 ] - [ 0.0017298000000000, 0.0002441000000000, 0.0007696100000000 ] - [ -0.0033473000000000, 0.0000000000000000, 0.0055785100000000 ] - [ -0.0017830400000000, 0.0000625400000000, 0.0031420600000000 ] - [ -0.0017830400000000, -0.0000625400000000, 0.0031420600000000 ] - [ -0.0117966800000000, 0.0000000000000000, 0.0016160200000000 ] - [ -0.0107681600000000, 0.0002145500000000, -0.0011052100000000 ] - [ -0.0107681600000000, -0.0002145500000000, -0.0011052100000000 ] - [ 0.0030775800000000, 0.0000000000000000, -0.0053081900000000 ] - [ -0.0096027500000000, -0.0000893600000000, -0.0036165300000000 ] - [ -0.0096027500000000, 0.0000893600000000, -0.0036165300000000 ] - [ 0.0069938700000000, -0.0146858500000000, -0.0029574200000000 ] - [ 0.0069938700000000, 0.0146858500000000, -0.0029574200000000 ] - [ 0.0094522600000000, 0.0000000000000000, 0.0005849100000000 ] - [ 0.0109774200000000, 0.0009696700000000, 0.0031083700000000 ] - [ 0.0109774200000000, -0.0009696700000000, 0.0031083700000000 ] - [ 0.0108397600000000, 0.0000000000000000, 0.0023607100000000 ] - [ 0.0010533300000000, 0.0000044400000000, -0.0020237100000000 ] - [ 0.0010533300000000, -0.0000044400000000, -0.0020237100000000 ] - [ 0.0012325800000000, 0.0000000000000000, -0.0022385700000000 ] - [ 0.0005512800000000, -0.0001124300000000, -0.0040841000000000 ] - [ 0.0005512800000000, 0.0001124300000000, -0.0040841000000000 ] - [ 0.0007185500000000, 0.0000000000000000, -0.0028733900000000 ] - [ -0.0056779400000000, -0.0002312400000000, 0.0012766700000000 ] - [ -0.0056779400000000, 0.0002312400000000, 0.0012766700000000 ] - [ -0.0029344400000000, 0.0000000000000000, 0.0021207500000000 ] - [ -0.0011750000000000, 0.0000089300000000, 0.0025907400000000 ] - [ -0.0011750000000000, -0.0000089300000000, 0.0025907400000000 ] - [ -0.0013468000000000, 0.0000000000000000, 0.0024703800000000 ] - [ -0.0103430500000000, -0.0004488900000000, -0.0014955100000000 ] - [ -0.0103430500000000, 0.0004488900000000, -0.0014955100000000 ] - [ -0.0105098700000000, 0.0000000000000000, -0.0017157300000000 ] - [ -0.0120930300000000, 0.0026049100000000, -0.0030080400000000 ] - [ -0.0120930300000000, -0.0026049100000000, -0.0030080400000000 ] - [ -0.0112566100000000, 0.0000000000000000, -0.0022317600000000 ] - [ 0.0117392600000000, 0.0000000000000000, -0.0021837100000000 ] - [ 0.0105970700000000, -0.0003033300000000, 0.0011941000000000 ] - [ 0.0105970700000000, 0.0003033300000000, 0.0011941000000000 ] - [ 0.0104730400000000, 0.0000000000000000, 0.0024594800000000 ] - [ 0.0105441000000000, -0.0000001800000000, 0.0019964100000000 ] - [ 0.0105441000000000, 0.0000001800000000, 0.0019964100000000 ] - [ 0.0063793000000000, 0.0000000000000000, 0.0028875100000000 ] - [ 0.0021566600000000, 0.0001182900000000, -0.0019785200000000 ] - [ 0.0021566600000000, -0.0001182900000000, -0.0019785200000000 ] - [ -0.0326125500000000, 0.0000000000000000, 0.0175662600000000 ] - [ 0.0005456500000000, -0.0004292700000000, -0.0027594400000000 ] - [ 0.0005456500000000, 0.0004292700000000, -0.0027594400000000 ] - [ 0.0044517900000000, -0.0024821100000000, 0.0022430100000000 ] - [ 0.0044517900000000, 0.0024821100000000, 0.0022430100000000 ] - [ 0.0047793700000000, 0.0000000000000000, 0.0013759100000000 ] - [ 0.0088069000000000, 0.0134223000000000, 0.0059660900000000 ] - [ 0.0088069000000000, -0.0134223000000000, 0.0059660900000000 ] - [ 0.0061866500000000, 0.0000000000000000, 0.0009281600000000 ] - [ -0.0085251600000000, 0.0000000000000000, 0.0297179300000000 ] - [ 0.0018825300000000, 0.0005825500000000, 0.0009652800000000 ] - [ 0.0018825300000000, -0.0005825500000000, 0.0009652800000000 ] - [ 0.0006186100000000, 0.0000000000000000, 0.0321546300000000 ] - [ 0.0016666000000000, -0.0008254400000000, 0.0022266200000000 ] - [ 0.0016666000000000, 0.0008254400000000, 0.0022266200000000 ] - [ -0.0025432500000000, -0.0004564600000000, 0.0020211000000000 ] - [ -0.0025432500000000, 0.0004564600000000, 0.0020211000000000 ] - [ -0.0020695800000000, 0.0000000000000000, 0.0007219700000000 ] - [ -0.0012311800000000, 0.0001799000000000, -0.0007391500000000 ] - [ -0.0012311800000000, -0.0001799000000000, -0.0007391500000000 ] - [ -0.0017500400000000, 0.0000000000000000, -0.0004465200000000 ] - [ -0.0161463100000000, 0.0000000000000000, -0.0004338000000000 ] - [ -0.0054672000000000, 0.0016331200000000, -0.0011113100000000 ] - [ -0.0054672000000000, -0.0016331200000000, -0.0011113100000000 ] - [ -0.0046659800000000, 0.0000000000000000, -0.0007002700000000 ] - [ -0.0049519700000000, -0.0001587800000000, -0.0009891700000000 ] - [ -0.0049519700000000, 0.0001587800000000, -0.0009891700000000 ] - [ 0.0057979100000000, 0.0000000000000000, 0.0012077300000000 ] - [ 0.0051249200000000, 0.0000466500000000, 0.0010444300000000 ] - [ 0.0051249200000000, -0.0000466500000000, 0.0010444300000000 ] - [ 0.0025901900000000, 0.0000000000000000, 0.0012573500000000 ] - [ 0.0048275200000000, -0.0003020100000000, 0.0010678200000000 ] - [ 0.0048275200000000, 0.0003020100000000, 0.0010678200000000 ] - [ 0.0016937600000000, 0.0001485800000000, -0.0008749500000000 ] - [ 0.0016937600000000, -0.0001485800000000, -0.0008749500000000 ] - [ 0.0018195300000000, 0.0000000000000000, -0.0003028300000000 ] - [ 0.0016687600000000, 0.0000768400000000, 0.0002986500000000 ] - [ 0.0016687600000000, -0.0000768400000000, 0.0002986500000000 ] - [ 0.0017799000000000, 0.0000000000000000, 0.0000760500000000 ] - [ 0.0051729300000000, 0.0000000000000000, -0.0016536000000000 ] - [ -0.0016177200000000, -0.0000508700000000, -0.0008918500000000 ] - [ -0.0016177200000000, 0.0000508700000000, -0.0008918500000000 ] - [ -0.0032039500000000, 0.0000000000000000, 0.0054556000000000 ] - [ -0.0019638600000000, -0.0001289200000000, 0.0009151000000000 ] - [ -0.0019638600000000, 0.0001289200000000, 0.0009151000000000 ] - [ -0.0067784000000000, 0.0038622000000000, -0.0026654500000000 ] - [ -0.0067784000000000, -0.0038622000000000, -0.0026654500000000 ] - [ -0.0050471000000000, 0.0000000000000000, -0.0012529400000000 ] - [ -0.0052424600000000, 0.0001560800000000, -0.0006703700000000 ] - [ -0.0052424600000000, -0.0001560800000000, -0.0006703700000000 ] - [ -0.0051840300000000, 0.0000000000000000, -0.0009303000000000 ]- atom: 49 displacement: [ 0.0030415166827246, 0.0000000000000000, -0.0095262362068504 ] forces: - [ -0.0024107000000000, 0.0000000000000000, 0.0209607500000000 ] - [ -0.0014613500000000, 0.0017607800000000, 0.0017521500000000 ] - [ -0.0014613500000000, -0.0017607800000000, 0.0017521500000000 ] - [ 0.0051555600000000, 0.0000000000000000, 0.0093100400000000 ] - [ -0.0022917600000000, -0.0071768400000000, -0.0007312300000000 ] - [ -0.0022917600000000, 0.0071768400000000, -0.0007312300000000 ] - [ 0.0698868100000000, 0.0000000000000000, -0.0348283200000000 ] - [ 0.0009551000000000, 0.0051098700000000, -0.0096517200000000 ] - [ 0.0009551000000000, -0.0051098700000000, -0.0096517200000000 ] - [ -0.0024281300000000, 0.0000000000000000, 0.0035508400000000 ] - [ -0.0022943900000000, -0.0005936100000000, -0.0061771300000000 ] - [ -0.0022943900000000, 0.0005936100000000, -0.0061771300000000 ] - [ 0.0007213400000000, -0.0003774500000000, 0.0109144700000000 ] - [ 0.0007213400000000, 0.0003774500000000, 0.0109144700000000 ] - [ 0.0014649300000000, 0.0000000000000000, 0.0093604200000000 ] - [ 0.0048744400000000, 0.0022921200000000, 0.0027003600000000 ] - [ 0.0048744400000000, -0.0022921200000000, 0.0027003600000000 ] - [ 0.0023180200000000, 0.0000000000000000, 0.0069742900000000 ] - [ -0.0045601200000000, -0.0051669400000000, -0.0007389300000000 ] - [ -0.0045601200000000, 0.0051669400000000, -0.0007389300000000 ] - [ 0.0001746600000000, 0.0000000000000000, -0.0000343500000000 ] - [ 0.0026560000000000, 0.0003828200000000, 0.0005670300000000 ] - [ 0.0026560000000000, -0.0003828200000000, 0.0005670300000000 ] - [ 0.0021606900000000, 0.0000000000000000, 0.0000469800000000 ] - [ -0.0017457200000000, -0.0003249900000000, -0.0003731500000000 ] - [ -0.0017457200000000, 0.0003249900000000, -0.0003731500000000 ] - [ -0.0018823600000000, 0.0000000000000000, -0.0001559700000000 ] - [ -0.0038685200000000, 0.0009589200000000, -0.0007842600000000 ] - [ -0.0038685200000000, -0.0009589200000000, -0.0007842600000000 ] - [ -0.0028043100000000, 0.0000000000000000, -0.0002380200000000 ] - [ -0.0047925500000000, 0.0006001300000000, -0.0098630400000000 ] - [ -0.0047925500000000, -0.0006001300000000, -0.0098630400000000 ] - [ -0.0028903700000000, 0.0000000000000000, -0.0089225900000000 ] - [ -0.0018754300000000, 0.0000302400000000, -0.0077338700000000 ] - [ -0.0018754300000000, -0.0000302400000000, -0.0077338700000000 ] - [ -0.0019088500000000, 0.0000000000000000, -0.0081638200000000 ] - [ 0.0061007600000000, 0.0000000000000000, 0.0100568300000000 ] - [ 0.0023528500000000, 0.0003142500000000, 0.0081426900000000 ] - [ 0.0023528500000000, -0.0003142500000000, 0.0081426900000000 ] - [ -0.0141537100000000, 0.0000000000000000, 0.0096917400000000 ] - [ 0.0010943000000000, -0.0011650300000000, 0.0085168700000000 ] - [ 0.0010943000000000, 0.0011650300000000, 0.0085168700000000 ] - [ 0.0047135200000000, 0.0000000000000000, -0.0181168800000000 ] - [ 0.0034955500000000, -0.0020201400000000, -0.0011434600000000 ] - [ 0.0034955500000000, 0.0020201400000000, -0.0011434600000000 ] - [ 0.0005349200000000, 0.0000000000000000, 0.0057515000000000 ] - [ 0.0016366900000000, -0.0001341100000000, 0.0011252700000000 ] - [ 0.0016366900000000, 0.0001341100000000, 0.0011252700000000 ] - [ -0.1066125900000000, 0.0000000000000000, 0.0952858300000000 ] - [ -0.0045961200000000, 0.0002423600000000, 0.0040518000000000 ] - [ -0.0045961200000000, -0.0002423600000000, 0.0040518000000000 ] - [ 0.0005139000000000, 0.0000000000000000, -0.0007980900000000 ] - [ -0.0010881000000000, -0.0000615300000000, 0.0016537400000000 ] - [ -0.0010881000000000, 0.0000615300000000, 0.0016537400000000 ] - [ -0.0093914500000000, 0.0000000000000000, -0.0052789900000000 ] - [ -0.0104116700000000, -0.0002122000000000, -0.0025200600000000 ] - [ -0.0104116700000000, 0.0002122000000000, -0.0025200600000000 ] - [ -0.0241983700000000, 0.0000000000000000, 0.0019016900000000 ] - [ -0.0115936200000000, 0.0000801400000000, 0.0000098100000000 ] - [ -0.0115936200000000, -0.0000801400000000, 0.0000098100000000 ] - [ 0.0142263300000000, 0.0146941800000000, 0.0065831100000000 ] - [ 0.0142263300000000, -0.0146941800000000, 0.0065831100000000 ] - [ 0.0117325300000000, 0.0000000000000000, 0.0030415800000000 ] - [ 0.0101928700000000, -0.0009960500000000, 0.0004952900000000 ] - [ 0.0101928700000000, 0.0009960500000000, 0.0004952900000000 ] - [ 0.0103371400000000, 0.0000000000000000, 0.0012537800000000 ] - [ 0.0018120600000000, -0.0000045700000000, -0.0027807100000000 ] - [ 0.0018120600000000, 0.0000045700000000, -0.0027807100000000 ] - [ 0.0016377700000000, 0.0000000000000000, -0.0025655600000000 ] - [ 0.0023398300000000, 0.0001190700000000, -0.0007099100000000 ] - [ 0.0023398300000000, -0.0001190700000000, -0.0007099100000000 ] - [ 0.0021666400000000, 0.0000000000000000, -0.0019242800000000 ] - [ 0.0027856300000000, 0.0002285000000000, 0.0035339500000000 ] - [ 0.0027856300000000, -0.0002285000000000, 0.0035339500000000 ] - [ 0.0000539200000000, 0.0000000000000000, 0.0026821100000000 ] - [ -0.0017164500000000, -0.0000082500000000, 0.0022061200000000 ] - [ -0.0017164500000000, 0.0000082500000000, 0.0022061200000000 ] - [ -0.0015405300000000, 0.0000000000000000, 0.0023284200000000 ] - [ -0.0108446300000000, 0.0004594400000000, -0.0021363300000000 ] - [ -0.0108446300000000, -0.0004594400000000, -0.0021363300000000 ] - [ -0.0106745700000000, 0.0000000000000000, -0.0019073700000000 ] - [ -0.0090795100000000, -0.0026304800000000, -0.0005901300000000 ] - [ -0.0090795100000000, 0.0026304800000000, -0.0005901300000000 ] - [ -0.0099247700000000, 0.0000000000000000, -0.0013817100000000 ] - [ 0.0092743200000000, 0.0000000000000000, 0.0058827000000000 ] - [ 0.0105771900000000, 0.0002930100000000, 0.0024377000000000 ] - [ 0.0105771900000000, -0.0002930100000000, 0.0024377000000000 ] - [ 0.0107157000000000, 0.0000000000000000, 0.0011433600000000 ] - [ 0.0106422200000000, 0.0000002000000000, 0.0016182400000000 ] - [ 0.0106422200000000, -0.0000002000000000, 0.0016182400000000 ] - [ -0.0034535300000000, 0.0000000000000000, -0.0077165400000000 ] - [ 0.0007338000000000, -0.0001181900000000, -0.0028268500000000 ] - [ 0.0007338000000000, 0.0001181900000000, -0.0028268500000000 ] - [ 0.0360044500000000, 0.0000000000000000, -0.0225168100000000 ] - [ 0.0023588500000000, 0.0004298100000000, -0.0020267700000000 ] - [ 0.0023588500000000, -0.0004298100000000, -0.0020267700000000 ] - [ 0.0057372500000000, 0.0024734200000000, -0.0000804600000000 ] - [ 0.0057372500000000, -0.0024734200000000, -0.0000804600000000 ] - [ 0.0054099300000000, 0.0000000000000000, 0.0007877400000000 ] - [ 0.0013061200000000, -0.0136834600000000, -0.0038518100000000 ] - [ 0.0013061200000000, 0.0136834600000000, -0.0038518100000000 ] - [ 0.0039868500000000, 0.0000000000000000, 0.0012406500000000 ] - [ 0.0121355200000000, 0.0000000000000000, -0.0295703600000000 ] - [ 0.0018345700000000, -0.0005851200000000, -0.0009709900000000 ] - [ 0.0018345700000000, 0.0005851200000000, -0.0009709900000000 ] - [ 0.0031809800000000, 0.0000000000000000, -0.0328326700000000 ] - [ 0.0020530200000000, 0.0008369600000000, -0.0022445000000000 ] - [ 0.0020530200000000, -0.0008369600000000, -0.0022445000000000 ] - [ -0.0011714000000000, 0.0004553600000000, -0.0020491400000000 ] - [ -0.0011714000000000, -0.0004553600000000, -0.0020491400000000 ] - [ -0.0016463100000000, 0.0000000000000000, -0.0007417400000000 ] - [ -0.0024943400000000, -0.0001753700000000, 0.0007449800000000 ] - [ -0.0024943400000000, 0.0001753700000000, 0.0007449800000000 ] - [ -0.0019687600000000, 0.0000000000000000, 0.0004465600000000 ] - [ 0.0059172300000000, 0.0000000000000000, -0.0017192400000000 ] - [ -0.0047174400000000, -0.0016356500000000, -0.0010567100000000 ] - [ -0.0047174400000000, 0.0016356500000000, -0.0010567100000000 ] - [ -0.0055314100000000, 0.0000000000000000, -0.0014691900000000 ] - [ -0.0052397600000000, 0.0001615300000000, -0.0011773200000000 ] - [ -0.0052397600000000, -0.0001615300000000, -0.0011773200000000 ] - [ 0.0043791000000000, 0.0000000000000000, 0.0009519500000000 ] - [ 0.0050610200000000, -0.0000477500000000, 0.0011197900000000 ] - [ 0.0050610200000000, 0.0000477500000000, 0.0011197900000000 ] - [ 0.0076249400000000, 0.0000000000000000, 0.0009095000000000 ] - [ 0.0053626900000000, 0.0003021100000000, 0.0010996400000000 ] - [ 0.0053626900000000, -0.0003021100000000, 0.0010996400000000 ] - [ 0.0020177200000000, -0.0001460600000000, 0.0008718300000000 ] - [ 0.0020177200000000, 0.0001460600000000, 0.0008718300000000 ] - [ 0.0018944900000000, 0.0000000000000000, 0.0003058000000000 ] - [ 0.0020487500000000, -0.0000765200000000, -0.0002924700000000 ] - [ 0.0020487500000000, 0.0000765200000000, -0.0002924700000000 ] - [ 0.0019370800000000, 0.0000000000000000, -0.0000664500000000 ] - [ -0.0088930600000000, 0.0000000000000000, 0.0015241800000000 ] - [ -0.0020966200000000, 0.0000459300000000, 0.0008710500000000 ] - [ -0.0020966200000000, -0.0000459300000000, 0.0008710500000000 ] - [ -0.0005083300000000, 0.0000000000000000, -0.0054993400000000 ] - [ -0.0017516600000000, 0.0001299800000000, -0.0009194600000000 ] - [ -0.0017516600000000, -0.0001299800000000, -0.0009194600000000 ] - [ -0.0034669100000000, -0.0037168600000000, 0.0005158700000000 ] - [ -0.0034669100000000, 0.0037168600000000, 0.0005158700000000 ] - [ -0.0051472300000000, 0.0000000000000000, -0.0009087600000000 ] - [ -0.0049400400000000, -0.0001599500000000, -0.0014987900000000 ] - [ -0.0049400400000000, 0.0001599500000000, -0.0014987900000000 ] - [ -0.0049992000000000, 0.0000000000000000, -0.0012373400000000 ]- atom: 55 displacement: [ 0.0099999556214383, 0.0000000000000000, -0.0000297921007044 ] forces: - [ -0.0004773700000000, 0.0000000000000000, -0.0153027400000000 ] - [ 0.0015509400000000, -0.0089639100000000, -0.0012310600000000 ] - [ 0.0015509400000000, 0.0089639100000000, -0.0012310600000000 ] - [ -0.0010196300000000, 0.0000000000000000, 0.0005260600000000 ] - [ -0.0016171700000000, -0.0005231700000000, 0.0010945800000000 ] - [ -0.0016171700000000, 0.0005231700000000, 0.0010945800000000 ] - [ -0.0010097100000000, 0.0000000000000000, 0.0021655600000000 ] - [ -0.0013651600000000, -0.0006976700000000, -0.0075081400000000 ] - [ -0.0013651600000000, 0.0006976700000000, -0.0075081400000000 ] - [ 0.0210246200000000, 0.0000000000000000, -0.0054262800000000 ] - [ -0.0002597000000000, -0.0004366400000000, -0.0053828700000000 ] - [ -0.0002597000000000, 0.0004366400000000, -0.0053828700000000 ] - [ 0.0303658000000000, 0.0049187700000000, 0.0128604800000000 ] - [ 0.0303658000000000, -0.0049187700000000, 0.0128604800000000 ] - [ -0.0021255000000000, 0.0000000000000000, 0.0066029300000000 ] - [ 0.0022830700000000, 0.0005914900000000, 0.0102122200000000 ] - [ 0.0022830700000000, -0.0005914900000000, 0.0102122200000000 ] - [ 0.0021084400000000, 0.0000000000000000, 0.0093204400000000 ] - [ 0.0029908600000000, 0.0002146800000000, -0.0048364100000000 ] - [ 0.0029908600000000, -0.0002146800000000, -0.0048364100000000 ] - [ 0.0019313900000000, 0.0000000000000000, -0.0017904400000000 ] - [ -0.0009433900000000, -0.0019356800000000, 0.0042025000000000 ] - [ -0.0009433900000000, 0.0019356800000000, 0.0042025000000000 ] - [ 0.0002052700000000, 0.0000000000000000, 0.0011012800000000 ] - [ -0.0107533100000000, -0.0000644900000000, -0.0017627300000000 ] - [ -0.0107533100000000, 0.0000644900000000, -0.0017627300000000 ] - [ -0.0043274000000000, 0.0000000000000000, -0.0005987400000000 ] - [ -0.0023342200000000, 0.0002950800000000, -0.0009182700000000 ] - [ -0.0023342200000000, -0.0002950800000000, -0.0009182700000000 ] - [ -0.0022580600000000, 0.0000000000000000, -0.0003624200000000 ] - [ -0.0029050900000000, 0.0005694200000000, -0.0098302600000000 ] - [ -0.0029050900000000, -0.0005694200000000, -0.0098302600000000 ] - [ -0.0025109700000000, 0.0000000000000000, -0.0091977900000000 ] - [ -0.0048311200000000, 0.0032092400000000, -0.0090522100000000 ] - [ -0.0048311200000000, -0.0032092400000000, -0.0090522100000000 ] - [ -0.0034968000000000, 0.0000000000000000, -0.0085394600000000 ] - [ -0.0151709300000000, 0.0000000000000000, 0.0101666200000000 ] - [ 0.0007449600000000, -0.0011888800000000, 0.0086094400000000 ] - [ 0.0007449600000000, 0.0011888800000000, 0.0086094400000000 ] - [ 0.0012231400000000, 0.0000000000000000, 0.0060804600000000 ] - [ 0.0019043500000000, -0.0002986400000000, 0.0079049000000000 ] - [ 0.0019043500000000, 0.0002986400000000, 0.0079049000000000 ] - [ -0.0001330800000000, 0.0000000000000000, 0.0028011900000000 ] - [ 0.0016357100000000, -0.0006607600000000, 0.0003031200000000 ] - [ 0.0016357100000000, 0.0006607600000000, 0.0003031200000000 ] - [ -0.0017655400000000, 0.0000000000000000, -0.0061153000000000 ] - [ 0.0033224000000000, -0.0018604300000000, -0.0001734600000000 ] - [ 0.0033224000000000, 0.0018604300000000, -0.0001734600000000 ] - [ -0.0003994000000000, 0.0000000000000000, 0.0014365600000000 ] - [ -0.0015448500000000, 0.0000972200000000, 0.0021756600000000 ] - [ -0.0015448500000000, -0.0000972200000000, 0.0021756600000000 ] - [ 0.0086769200000000, 0.0000000000000000, 0.0200665400000000 ] - [ -0.0043023200000000, 0.0005724300000000, 0.0025439700000000 ] - [ -0.0043023200000000, -0.0005724300000000, 0.0025439700000000 ] - [ -0.1292943800000000, 0.0000000000000000, -0.0078751600000000 ] - [ -0.0179884400000000, -0.0117454600000000, -0.0046960600000000 ] - [ -0.0179884400000000, 0.0117454600000000, -0.0046960600000000 ] - [ -0.0112006100000000, 0.0000000000000000, -0.0031611200000000 ] - [ -0.0107218000000000, 0.0002254600000000, -0.0021431900000000 ] - [ -0.0107218000000000, -0.0002254600000000, -0.0021431900000000 ] - [ 0.0096400600000000, -0.0011505600000000, 0.0009654100000000 ] - [ 0.0096400600000000, 0.0011505600000000, 0.0009654100000000 ] - [ 0.0100447700000000, 0.0000000000000000, 0.0015643800000000 ] - [ 0.0080600100000000, 0.0030759000000000, -0.0040122500000000 ] - [ 0.0080600100000000, -0.0030759000000000, -0.0040122500000000 ] - [ 0.0116652300000000, 0.0000000000000000, 0.0001835100000000 ] - [ 0.0103386400000000, 0.0055103100000000, -0.0033282600000000 ] - [ 0.0103386400000000, -0.0055103100000000, -0.0033282600000000 ] - [ 0.0040442100000000, 0.0000000000000000, -0.0027641700000000 ] - [ 0.0014817900000000, -0.0000277800000000, -0.0019784200000000 ] - [ 0.0014817900000000, 0.0000277800000000, -0.0019784200000000 ] - [ 0.0015206900000000, 0.0000000000000000, -0.0021117100000000 ] - [ -0.0006108400000000, -0.0000219300000000, 0.0029265700000000 ] - [ -0.0006108400000000, 0.0000219300000000, 0.0029265700000000 ] - [ -0.0008359700000000, 0.0000000000000000, 0.0026785400000000 ] - [ 0.0018248500000000, -0.0002300200000000, 0.0018646300000000 ] - [ 0.0018248500000000, 0.0002300200000000, 0.0018646300000000 ] - [ 0.0002818900000000, 0.0000000000000000, 0.0022525200000000 ] - [ -0.0084175000000000, -0.0025499600000000, -0.0014074600000000 ] - [ -0.0084175000000000, 0.0025499600000000, -0.0014074600000000 ] - [ -0.0094524300000000, 0.0000000000000000, -0.0017536900000000 ] - [ -0.0103160100000000, -0.0004713300000000, -0.0014251500000000 ] - [ -0.0103160100000000, 0.0004713300000000, -0.0014251500000000 ] - [ -0.0103685000000000, 0.0000000000000000, -0.0015938000000000 ] - [ 0.0118601200000000, 0.0000000000000000, 0.0022934200000000 ] - [ 0.0108071700000000, 0.0001776000000000, 0.0020412100000000 ] - [ 0.0108071700000000, -0.0001776000000000, 0.0020412100000000 ] - [ 0.0154859800000000, 0.0000000000000000, 0.0050590100000000 ] - [ 0.0104687600000000, 0.0009862200000000, 0.0018710100000000 ] - [ 0.0104687600000000, -0.0009862200000000, 0.0018710100000000 ] - [ 0.0377336500000000, 0.0000000000000000, 0.0105226100000000 ] - [ 0.0017902700000000, 0.0005892700000000, -0.0022741500000000 ] - [ 0.0017902700000000, -0.0005892700000000, -0.0022741500000000 ] - [ 0.0015918200000000, 0.0000000000000000, -0.0024852100000000 ] - [ 0.0012348300000000, 0.0000649000000000, -0.0025196300000000 ] - [ 0.0012348300000000, -0.0000649000000000, -0.0025196300000000 ] - [ 0.0112306800000000, -0.0222383200000000, -0.0003277500000000 ] - [ 0.0112306800000000, 0.0222383200000000, -0.0003277500000000 ] - [ 0.0023280100000000, 0.0000000000000000, 0.0016926700000000 ] - [ 0.0049539900000000, -0.0008151900000000, 0.0008952500000000 ] - [ 0.0049539900000000, 0.0008151900000000, 0.0008952500000000 ] - [ 0.0050149400000000, 0.0000000000000000, 0.0009033400000000 ] - [ 0.0059639600000000, 0.0000000000000000, -0.0163901600000000 ] - [ 0.0016386700000000, 0.0006451900000000, -0.0009860700000000 ] - [ 0.0016386700000000, -0.0006451900000000, -0.0009860700000000 ] - [ 0.0014923400000000, 0.0000000000000000, 0.0030639800000000 ] - [ 0.0017975100000000, -0.0000633500000000, -0.0016830800000000 ] - [ 0.0017975100000000, 0.0000633500000000, -0.0016830800000000 ] - [ -0.0037000100000000, 0.0025083700000000, 0.0076607200000000 ] - [ -0.0037000100000000, -0.0025083700000000, 0.0076607200000000 ] - [ -0.0020148600000000, 0.0000000000000000, 0.0022193300000000 ] - [ -0.0016766800000000, 0.0001547500000000, -0.0026404500000000 ] - [ -0.0016766800000000, -0.0001547500000000, -0.0026404500000000 ] - [ -0.0017354800000000, 0.0000000000000000, -0.0012159100000000 ] - [ -0.0066626600000000, 0.0000000000000000, -0.0006582200000000 ] - [ -0.0055790400000000, -0.0004856600000000, -0.0005634500000000 ] - [ -0.0055790400000000, 0.0004856600000000, -0.0005634500000000 ] - [ -0.0033328100000000, 0.0000000000000000, -0.0040908100000000 ] - [ -0.0049369100000000, -0.0005052500000000, -0.0017641500000000 ] - [ -0.0049369100000000, 0.0005052500000000, -0.0017641500000000 ] - [ 0.0106652600000000, 0.0000000000000000, 0.0016254700000000 ] - [ 0.0067796800000000, -0.0005603400000000, 0.0010923900000000 ] - [ 0.0067796800000000, 0.0005603400000000, 0.0010923900000000 ] - [ 0.0053832900000000, 0.0000000000000000, 0.0012832100000000 ] - [ 0.0051677200000000, 0.0001931800000000, 0.0011711400000000 ] - [ 0.0051677200000000, -0.0001931800000000, 0.0011711400000000 ] - [ 0.0023101800000000, -0.0000566000000000, 0.0015878300000000 ] - [ 0.0023101800000000, 0.0000566000000000, 0.0015878300000000 ] - [ 0.0020001700000000, 0.0000000000000000, 0.0008938900000000 ] - [ 0.0020422400000000, -0.0002060000000000, 0.0008414500000000 ] - [ 0.0020422400000000, 0.0002060000000000, 0.0008414500000000 ] - [ 0.0019701900000000, 0.0000000000000000, 0.0001848000000000 ] - [ -0.0004176600000000, 0.0000000000000000, -0.0047515900000000 ] - [ -0.0017178200000000, 0.0001839800000000, -0.0001430400000000 ] - [ -0.0017178200000000, -0.0001839800000000, -0.0001430400000000 ] - [ -0.0012878100000000, 0.0000000000000000, 0.0037749600000000 ] - [ -0.0019867200000000, 0.0001836100000000, 0.0005224600000000 ] - [ -0.0019867200000000, -0.0001836100000000, 0.0005224600000000 ] - [ -0.0046972500000000, -0.0009580200000000, -0.0012230900000000 ] - [ -0.0046972500000000, 0.0009580200000000, -0.0012230900000000 ] - [ -0.0048701000000000, 0.0000000000000000, -0.0010973900000000 ] - [ -0.0047352700000000, -0.0027421700000000, -0.0006377700000000 ] - [ -0.0047352700000000, 0.0027421700000000, -0.0006377700000000 ] - [ -0.0048976800000000, 0.0000000000000000, -0.0009774400000000 ]- atom: 55 displacement: [ -0.0099999556214383, 0.0000000000000000, 0.0000297921007044 ] forces: - [ -0.0006050400000000, 0.0000000000000000, 0.0143081200000000 ] - [ -0.0051600400000000, 0.0089013200000000, 0.0011537900000000 ] - [ -0.0051600400000000, -0.0089013200000000, 0.0011537900000000 ] - [ -0.0026121200000000, 0.0000000000000000, -0.0005030600000000 ] - [ -0.0020125000000000, 0.0005284800000000, -0.0011450500000000 ] - [ -0.0020125000000000, -0.0005284800000000, -0.0011450500000000 ] - [ -0.0027883700000000, 0.0000000000000000, -0.0187628200000000 ] - [ -0.0024227300000000, 0.0006892700000000, -0.0092495200000000 ] - [ -0.0024227300000000, -0.0006892700000000, -0.0092495200000000 ] - [ -0.0248672900000000, 0.0000000000000000, -0.0110449400000000 ] - [ -0.0034984600000000, 0.0004804300000000, -0.0113692100000000 ] - [ -0.0034984600000000, -0.0004804300000000, -0.0113692100000000 ] - [ -0.0262491700000000, -0.0052059800000000, 0.0038570200000000 ] - [ -0.0262491700000000, 0.0052059800000000, 0.0038570200000000 ] - [ 0.0058875000000000, 0.0000000000000000, 0.0101448900000000 ] - [ 0.0015046000000000, -0.0005892200000000, 0.0065740400000000 ] - [ 0.0015046000000000, 0.0005892200000000, 0.0065740400000000 ] - [ 0.0016780400000000, 0.0000000000000000, 0.0074551700000000 ] - [ 0.0006502600000000, -0.0002097600000000, 0.0048638800000000 ] - [ 0.0006502600000000, 0.0002097600000000, 0.0048638800000000 ] - [ 0.0017018200000000, 0.0000000000000000, 0.0018499600000000 ] - [ 0.0045210100000000, 0.0019286200000000, -0.0041373100000000 ] - [ 0.0045210100000000, -0.0019286200000000, -0.0041373100000000 ] - [ 0.0034092300000000, 0.0000000000000000, -0.0010312100000000 ] - [ 0.0071551600000000, 0.0000914200000000, 0.0017093700000000 ] - [ 0.0071551600000000, -0.0000914200000000, 0.0017093700000000 ] - [ 0.0006777300000000, 0.0000000000000000, 0.0005274300000000 ] - [ -0.0013024100000000, -0.0002948300000000, 0.0008481400000000 ] - [ -0.0013024100000000, 0.0002948300000000, 0.0008481400000000 ] - [ -0.0013768500000000, 0.0000000000000000, 0.0002926600000000 ] - [ -0.0008917600000000, -0.0005654100000000, -0.0069276000000000 ] - [ -0.0008917600000000, 0.0005654100000000, -0.0069276000000000 ] - [ -0.0012828100000000, 0.0000000000000000, -0.0075670900000000 ] - [ 0.0010302600000000, -0.0032067600000000, -0.0077343000000000 ] - [ 0.0010302600000000, 0.0032067600000000, -0.0077343000000000 ] - [ -0.0002973700000000, 0.0000000000000000, -0.0082346000000000 ] - [ 0.0188546400000000, 0.0000000000000000, 0.0065761100000000 ] - [ 0.0030514100000000, 0.0011765700000000, 0.0081535700000000 ] - [ 0.0030514100000000, -0.0011765700000000, 0.0081535700000000 ] - [ 0.0025703700000000, 0.0000000000000000, 0.0106898100000000 ] - [ 0.0018864400000000, 0.0002976900000000, 0.0088653700000000 ] - [ 0.0018864400000000, -0.0002976900000000, 0.0088653700000000 ] - [ 0.0037455200000000, 0.0000000000000000, -0.0026954700000000 ] - [ 0.0020002600000000, 0.0006546200000000, -0.0002259900000000 ] - [ 0.0020002600000000, -0.0006546200000000, -0.0002259900000000 ] - [ 0.0054512100000000, 0.0000000000000000, 0.0061439700000000 ] - [ 0.0003295300000000, 0.0018527900000000, 0.0002384500000000 ] - [ 0.0003295300000000, -0.0018527900000000, 0.0002384500000000 ] - [ -0.0024521800000000, 0.0000000000000000, 0.0033274000000000 ] - [ -0.0013367300000000, -0.0000970700000000, 0.0026206500000000 ] - [ -0.0013367300000000, 0.0000970700000000, 0.0026206500000000 ] - [ -0.0115660400000000, 0.0000000000000000, -0.0150523900000000 ] - [ 0.0013878500000000, -0.0005695100000000, 0.0022594600000000 ] - [ 0.0013878500000000, 0.0005695100000000, 0.0022594600000000 ] - [ 0.1044846400000000, 0.0000000000000000, 0.0049935600000000 ] - [ -0.0032616300000000, 0.0117628500000000, 0.0010981800000000 ] - [ -0.0032616300000000, -0.0117628500000000, 0.0010981800000000 ] - [ -0.0099762300000000, 0.0000000000000000, -0.0004778700000000 ] - [ -0.0104598100000000, -0.0002245500000000, -0.0014795000000000 ] - [ -0.0104598100000000, 0.0002245500000000, -0.0014795000000000 ] - [ 0.0115349400000000, 0.0011359300000000, 0.0026423800000000 ] - [ 0.0115349400000000, -0.0011359300000000, 0.0026423800000000 ] - [ 0.0111324500000000, 0.0000000000000000, 0.0020518300000000 ] - [ 0.0131707600000000, -0.0029480100000000, 0.0075489400000000 ] - [ 0.0131707600000000, 0.0029480100000000, 0.0075489400000000 ] - [ 0.0095305700000000, 0.0000000000000000, 0.0034351700000000 ] - [ -0.0075012400000000, -0.0056061700000000, -0.0014615500000000 ] - [ -0.0075012400000000, 0.0056061700000000, -0.0014615500000000 ] - [ -0.0011445100000000, 0.0000000000000000, -0.0020348700000000 ] - [ 0.0013985800000000, 0.0000278100000000, -0.0028204000000000 ] - [ 0.0013985800000000, -0.0000278100000000, -0.0028204000000000 ] - [ 0.0013616800000000, 0.0000000000000000, -0.0026863200000000 ] - [ -0.0022603900000000, 0.0000208400000000, 0.0018753300000000 ] - [ -0.0022603900000000, -0.0000208400000000, 0.0018753300000000 ] - [ -0.0020375200000000, 0.0000000000000000, 0.0021226100000000 ] - [ -0.0046771300000000, 0.0002255700000000, 0.0029443100000000 ] - [ -0.0046771300000000, -0.0002255700000000, 0.0029443100000000 ] - [ -0.0031499600000000, 0.0000000000000000, 0.0025517200000000 ] - [ -0.0127530600000000, 0.0025205100000000, -0.0021977900000000 ] - [ -0.0127530600000000, -0.0025205100000000, -0.0021977900000000 ] - [ -0.0117243400000000, 0.0000000000000000, -0.0018591000000000 ] - [ -0.0108647900000000, 0.0004688500000000, -0.0021952100000000 ] - [ -0.0108647900000000, -0.0004688500000000, -0.0021952100000000 ] - [ -0.0108147100000000, 0.0000000000000000, -0.0020272800000000 ] - [ 0.0093343700000000, 0.0000000000000000, 0.0013214100000000 ] - [ 0.0103741900000000, -0.0001768500000000, 0.0015748100000000 ] - [ 0.0103741900000000, 0.0001768500000000, 0.0015748100000000 ] - [ 0.0056840400000000, 0.0000000000000000, -0.0014119400000000 ] - [ 0.0107101500000000, -0.0009832200000000, 0.0017532600000000 ] - [ 0.0107101500000000, 0.0009832200000000, 0.0017532600000000 ] - [ -0.0343584200000000, 0.0000000000000000, -0.0151067500000000 ] - [ 0.0010873400000000, -0.0005846900000000, -0.0025234500000000 ] - [ 0.0010873400000000, 0.0005846900000000, -0.0025234500000000 ] - [ 0.0012750700000000, 0.0000000000000000, -0.0023276900000000 ] - [ 0.0016420700000000, -0.0000650300000000, -0.0022853000000000 ] - [ 0.0016420700000000, 0.0000650300000000, -0.0022853000000000 ] - [ -0.0010071000000000, 0.0219015100000000, 0.0024860100000000 ] - [ -0.0010071000000000, -0.0219015100000000, 0.0024860100000000 ] - [ 0.0078360400000000, 0.0000000000000000, 0.0004784000000000 ] - [ 0.0052347500000000, 0.0008211400000000, 0.0012654500000000 ] - [ 0.0052347500000000, -0.0008211400000000, 0.0012654500000000 ] - [ 0.0051755200000000, 0.0000000000000000, 0.0012598100000000 ] - [ -0.0022072300000000, 0.0000000000000000, 0.0160859600000000 ] - [ 0.0020771500000000, -0.0006419100000000, 0.0009828100000000 ] - [ 0.0020771500000000, 0.0006419100000000, 0.0009828100000000 ] - [ 0.0022507200000000, 0.0000000000000000, -0.0032809300000000 ] - [ 0.0019182500000000, 0.0000584600000000, 0.0016688000000000 ] - [ 0.0019182500000000, -0.0000584600000000, 0.0016688000000000 ] - [ 0.0000060700000000, -0.0024673000000000, -0.0076064500000000 ] - [ 0.0000060700000000, 0.0024673000000000, -0.0076064500000000 ] - [ -0.0017015200000000, 0.0000000000000000, -0.0022190600000000 ] - [ -0.0020346000000000, -0.0001529200000000, 0.0026159200000000 ] - [ -0.0020346000000000, 0.0001529200000000, 0.0026159200000000 ] - [ -0.0019792300000000, 0.0000000000000000, 0.0012015600000000 ] - [ -0.0035404500000000, 0.0000000000000000, -0.0015077600000000 ] - [ -0.0046109100000000, 0.0004817800000000, -0.0015993100000000 ] - [ -0.0046109100000000, -0.0004817800000000, -0.0015993100000000 ] - [ -0.0068502500000000, 0.0000000000000000, 0.0019455300000000 ] - [ -0.0052436600000000, 0.0005033800000000, -0.0004009600000000 ] - [ -0.0052436600000000, -0.0005033800000000, -0.0004009600000000 ] - [ -0.0005367300000000, 0.0000000000000000, 0.0005332500000000 ] - [ 0.0033942100000000, 0.0005818400000000, 0.0010732600000000 ] - [ 0.0033942100000000, -0.0005818400000000, 0.0010732600000000 ] - [ 0.0048037900000000, 0.0000000000000000, 0.0008827400000000 ] - [ 0.0050200900000000, -0.0001929200000000, 0.0009953800000000 ] - [ 0.0050200900000000, 0.0001929200000000, 0.0009953800000000 ] - [ 0.0014092900000000, 0.0000555500000000, -0.0015906300000000 ] - [ 0.0014092900000000, -0.0000555500000000, -0.0015906300000000 ] - [ 0.0017165200000000, 0.0000000000000000, -0.0008876600000000 ] - [ 0.0016734700000000, 0.0002062800000000, -0.0008294600000000 ] - [ 0.0016734700000000, -0.0002062800000000, -0.0008294600000000 ] - [ 0.0017466900000000, 0.0000000000000000, -0.0001759000000000 ] - [ -0.0032970900000000, 0.0000000000000000, 0.0046927300000000 ] - [ -0.0019982300000000, -0.0001814600000000, 0.0001321400000000 ] - [ -0.0019982300000000, 0.0001814600000000, 0.0001321400000000 ] - [ -0.0024325700000000, 0.0000000000000000, -0.0037704900000000 ] - [ -0.0017309700000000, -0.0001831200000000, -0.0005283400000000 ] - [ -0.0017309700000000, 0.0001831200000000, -0.0005283400000000 ] - [ -0.0054868500000000, 0.0009491500000000, -0.0009468500000000 ] - [ -0.0054868500000000, -0.0009491500000000, -0.0009468500000000 ] - [ -0.0053151800000000, 0.0000000000000000, -0.0010695100000000 ] - [ -0.0054555300000000, 0.0027322900000000, -0.0015213500000000 ] - [ -0.0054555300000000, -0.0027322900000000, -0.0015213500000000 ] - [ -0.0052908600000000, 0.0000000000000000, -0.0011874400000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014627100000000, 0.0197104300000000, -0.0000289200000000 ] - [ -0.0085370100000000, -0.0095614400000000, 0.0014742000000000 ] - [ 0.0048734000000000, -0.0096514100000000, -0.0015413200000000 ] - [ -0.0018291200000000, 0.0015442200000000, 0.0000447100000000 ] - [ -0.0015921800000000, -0.0009024100000000, -0.0022687900000000 ] - [ -0.0020384100000000, -0.0009353900000000, 0.0021907600000000 ] - [ -0.0019122900000000, 0.0024683000000000, -0.0084593000000000 ] - [ -0.0024185600000000, -0.0011768000000000, -0.0058241500000000 ] - [ -0.0013905900000000, -0.0011900400000000, -0.0109463300000000 ] - [ -0.0020047100000000, 0.0239593500000000, -0.0080684300000000 ] - [ -0.0035066100000000, -0.0098867400000000, -0.0147451100000000 ] - [ -0.0003150600000000, -0.0099057300000000, -0.0020619000000000 ] - [ 0.0162504300000000, 0.0455852000000000, 0.0200588200000000 ] - [ -0.0139457000000000, 0.0501646900000000, -0.0040951400000000 ] - [ 0.0019164400000000, -0.0220644300000000, 0.0083826500000000 ] - [ 0.0026046800000000, 0.0007243100000000, 0.0099622500000000 ] - [ 0.0011609300000000, 0.0007462200000000, 0.0067965500000000 ] - [ 0.0018883100000000, -0.0013440300000000, 0.0083794300000000 ] - [ 0.0032314400000000, 0.0023522700000000, -0.0142424700000000 ] - [ 0.0003802900000000, 0.0023527300000000, 0.0144666400000000 ] - [ 0.0018171400000000, -0.0053191700000000, 0.0000543700000000 ] - [ -0.0023712400000000, 0.0030785800000000, 0.0082214100000000 ] - [ 0.0059769200000000, 0.0031514800000000, -0.0082572100000000 ] - [ 0.0018194600000000, -0.0060129700000000, 0.0000139600000000 ] - [ -0.0181712000000000, 0.0031970900000000, -0.0037934300000000 ] - [ 0.0147483800000000, 0.0031969200000000, 0.0037559700000000 ] - [ -0.0017912800000000, -0.0061149000000000, -0.0000304700000000 ] - [ -0.0026288500000000, 0.0005434100000000, -0.0003660100000000 ] - [ -0.0009963800000000, 0.0005508700000000, 0.0003194400000000 ] - [ -0.0018124700000000, -0.0011397300000000, -0.0000300800000000 ] - [ -0.0034673400000000, 0.0006757400000000, -0.0108466000000000 ] - [ -0.0002977200000000, 0.0006891400000000, -0.0058773900000000 ] - [ -0.0018878400000000, -0.0013721600000000, -0.0083717800000000 ] - [ -0.0045403100000000, 0.0011265800000000, -0.0075261200000000 ] - [ 0.0007990500000000, 0.0011884400000000, -0.0092385200000000 ] - [ -0.0018830300000000, -0.0024921300000000, -0.0083853800000000 ] - [ 0.0020387000000000, 0.0034078200000000, 0.0083664800000000 ] - [ 0.0004057800000000, -0.0016857200000000, 0.0087181000000000 ] - [ 0.0034112800000000, -0.0017046600000000, 0.0080470900000000 ] - [ 0.0019137200000000, 0.0011680700000000, 0.0084126000000000 ] - [ 0.0015099600000000, -0.0005898800000000, 0.0078484800000000 ] - [ 0.0022857900000000, -0.0005978100000000, 0.0089333700000000 ] - [ 0.0018380300000000, 0.0012214300000000, 0.0000218900000000 ] - [ 0.0013950500000000, -0.0006225000000000, 0.0005813000000000 ] - [ 0.0022485100000000, -0.0006358700000000, -0.0005090300000000 ] - [ 0.0019035300000000, 0.0028430000000000, 0.0000965500000000 ] - [ -0.0012674000000000, -0.0011228500000000, -0.0017665200000000 ] - [ 0.0048843400000000, -0.0011590800000000, 0.0018337800000000 ] - [ -0.0014452600000000, -0.0001474300000000, 0.0023902000000000 ] - [ -0.0010415200000000, 0.0001391500000000, 0.0023010600000000 ] - [ -0.0018355700000000, 0.0001425000000000, 0.0024963500000000 ] - [ -0.0015876600000000, -0.0039370900000000, 0.0023025800000000 ] - [ 0.0027328400000000, 0.0006052600000000, 0.0038193800000000 ] - [ -0.0055793900000000, 0.0006020700000000, 0.0009874400000000 ] - [ -0.0089900300000000, -0.2372075200000000, -0.0011445500000000 ] - [ 0.0012240100000000, 0.0304699400000000, 0.0035282100000000 ] - [ -0.0223180900000000, 0.0302234700000000, -0.0071159300000000 ] - [ -0.0105761500000000, -0.0015884700000000, -0.0018032900000000 ] - [ -0.0108153100000000, 0.0007785900000000, -0.0019939900000000 ] - [ -0.0103637200000000, 0.0007880500000000, -0.0016245200000000 ] - [ 0.0094608700000000, -0.0008436700000000, 0.0020816900000000 ] - [ 0.0117462100000000, -0.0008666800000000, 0.0015461100000000 ] - [ 0.0105975500000000, 0.0017364200000000, 0.0018103100000000 ] - [ 0.0135207100000000, 0.0157119800000000, -0.0207525300000000 ] - [ 0.0076329800000000, 0.0157207600000000, 0.0246750200000000 ] - [ 0.0106041800000000, 0.0088381900000000, 0.0018321200000000 ] - [ 0.0323627300000000, -0.0017289100000000, -0.0078078400000000 ] - [ -0.0299882800000000, -0.0018064200000000, 0.0031283400000000 ] - [ 0.0014112100000000, 0.0009587400000000, -0.0023921400000000 ] - [ 0.0014316200000000, -0.0000826900000000, -0.0013816000000000 ] - [ 0.0014561800000000, -0.0000822500000000, -0.0034379400000000 ] - [ 0.0014415700000000, 0.0004367000000000, -0.0024041500000000 ] - [ 0.0005956300000000, -0.0002045600000000, 0.0035234800000000 ] - [ -0.0035031800000000, -0.0002066600000000, 0.0012612700000000 ] - [ -0.0014470400000000, 0.0002992600000000, 0.0023953900000000 ] - [ 0.0025953600000000, -0.0002794300000000, 0.0009661700000000 ] - [ -0.0055273100000000, -0.0002820300000000, 0.0038705600000000 ] - [ -0.0014489600000000, 0.0006927300000000, 0.0024061800000000 ] - [ -0.0080823300000000, -0.0012840700000000, -0.0019790000000000 ] - [ -0.0131518000000000, -0.0013292300000000, -0.0016388400000000 ] - [ -0.0106017000000000, 0.0025795500000000, -0.0018083600000000 ] - [ -0.0101238200000000, -0.0004315800000000, -0.0014261700000000 ] - [ -0.0110669300000000, -0.0004440300000000, -0.0022070600000000 ] - [ -0.0105953500000000, 0.0008975300000000, -0.0018143000000000 ] - [ 0.0105788300000000, -0.0015697000000000, 0.0018014600000000 ] - [ 0.0107645100000000, 0.0007889800000000, 0.0016803200000000 ] - [ 0.0104105600000000, 0.0007927200000000, 0.0019303500000000 ] - [ 0.0105381200000000, -0.0027340300000000, 0.0017844700000000 ] - [ 0.0115785000000000, 0.0012822600000000, 0.0021976900000000 ] - [ 0.0096065300000000, 0.0012963300000000, 0.0014232200000000 ] - [ 0.0011785500000000, 0.0011215700000000, -0.0024698400000000 ] - [ 0.0050329600000000, 0.0005619200000000, -0.0015613800000000 ] - [ -0.0021564700000000, 0.0005685300000000, -0.0032309200000000 ] - [ 0.0014197600000000, -0.0001970400000000, -0.0024067100000000 ] - [ 0.0018657200000000, 0.0000872600000000, -0.0022639900000000 ] - [ 0.0010109000000000, 0.0000897900000000, -0.0025373200000000 ] - [ -0.0132221100000000, 0.0160319800000000, 0.0042369000000000 ] - [ 0.0236260400000000, 0.0160442900000000, -0.0021355400000000 ] - [ 0.0051085500000000, 0.0097372000000000, 0.0010810900000000 ] - [ 0.0049203700000000, -0.0007740200000000, 0.0008855000000000 ] - [ 0.0052746200000000, -0.0008210000000000, 0.0012740800000000 ] - [ 0.0050965800000000, 0.0018422100000000, 0.0010833800000000 ] - [ 0.0018283200000000, -0.0017999300000000, 0.0001146000000000 ] - [ 0.0024888100000000, 0.0008486200000000, -0.0031802100000000 ] - [ 0.0012282800000000, 0.0008582400000000, 0.0031918700000000 ] - [ 0.0019040700000000, 0.0002273600000000, -0.0002302500000000 ] - [ 0.0017821100000000, 0.0011566800000000, 0.0040506900000000 ] - [ 0.0019320900000000, 0.0011622100000000, -0.0040161000000000 ] - [ -0.0010587600000000, 0.0053705700000000, 0.0244201800000000 ] - [ -0.0026482300000000, 0.0053809700000000, -0.0247793000000000 ] - [ -0.0018562400000000, 0.0021081100000000, -0.0000256800000000 ] - [ -0.0016197900000000, -0.0003250300000000, -0.0031564100000000 ] - [ -0.0020920100000000, -0.0003360000000000, 0.0031810100000000 ] - [ -0.0018570700000000, 0.0006527300000000, 0.0000061400000000 ] - [ -0.0050792000000000, -0.0070056200000000, -0.0010898200000000 ] - [ -0.0047926300000000, 0.0037473700000000, -0.0021586400000000 ] - [ -0.0053779800000000, 0.0037273900000000, -0.0000187900000000 ] - [ -0.0050443500000000, -0.0063549900000000, -0.0011070200000000 ] - [ -0.0061772600000000, 0.0044452700000000, -0.0002606800000000 ] - [ -0.0040103100000000, 0.0044484200000000, -0.0018938700000000 ] - [ 0.0050622900000000, -0.0093796100000000, 0.0010850200000000 ] - [ 0.0040086500000000, 0.0047547000000000, 0.0010474700000000 ] - [ 0.0061418400000000, 0.0047163700000000, 0.0011226300000000 ] - [ 0.0050885800000000, -0.0013600500000000, 0.0010806300000000 ] - [ 0.0051678500000000, 0.0006894100000000, 0.0010808000000000 ] - [ 0.0050174000000000, 0.0006936200000000, 0.0010837700000000 ] - [ 0.0025625000000000, -0.0003121900000000, 0.0031203700000000 ] - [ 0.0011452000000000, -0.0003147800000000, -0.0031679000000000 ] - [ 0.0018554200000000, 0.0005906000000000, -0.0000094500000000 ] - [ 0.0021105200000000, -0.0001473300000000, -0.0005745000000000 ] - [ 0.0015994500000000, -0.0001523200000000, 0.0005659500000000 ] - [ 0.0018564300000000, 0.0002964400000000, 0.0000014900000000 ] - [ -0.0018701200000000, -0.0003477700000000, 0.0000275200000000 ] - [ -0.0017695200000000, 0.0002059900000000, -0.0009197000000000 ] - [ -0.0019476000000000, 0.0002084300000000, 0.0009102900000000 ] - [ -0.0018663300000000, -0.0001797600000000, -0.0000426600000000 ] - [ -0.0016462100000000, 0.0001645100000000, 0.0009438300000000 ] - [ -0.0020679400000000, 0.0001698100000000, -0.0009590500000000 ] - [ -0.0047504100000000, -0.0005167300000000, -0.0009585600000000 ] - [ -0.0054458700000000, -0.0005364700000000, -0.0012084800000000 ] - [ -0.0050955500000000, 0.0010731600000000, -0.0010835400000000 ] - [ -0.0046858600000000, -0.0014231300000000, -0.0012325000000000 ] - [ -0.0055149900000000, -0.0014866100000000, -0.0009395400000000 ] - [ -0.0050958500000000, 0.0028054900000000, -0.0010844500000000 ]- atom: 55 displacement: [ -0.0030415166827246, 0.0000000000000000, 0.0095262362068504 ] forces: - [ -0.0007010400000000, 0.0000000000000000, 0.0319357300000000 ] - [ -0.0015447100000000, 0.0053166400000000, 0.0020159200000000 ] - [ -0.0015447100000000, -0.0053166400000000, 0.0020159200000000 ] - [ -0.0012712100000000, 0.0000000000000000, -0.0106617600000000 ] - [ -0.0019954000000000, -0.0010183900000000, -0.0021446200000000 ] - [ -0.0019954000000000, 0.0010183900000000, -0.0021446200000000 ] - [ 0.0004843700000000, 0.0000000000000000, -0.0158536900000000 ] - [ -0.0009882100000000, 0.0006192000000000, -0.0096637700000000 ] - [ -0.0009882100000000, -0.0006192000000000, -0.0096637700000000 ] - [ 0.0033263500000000, 0.0000000000000000, 0.0056905600000000 ] - [ -0.0050122400000000, -0.0063422800000000, -0.0070303500000000 ] - [ -0.0050122400000000, 0.0063422800000000, -0.0070303500000000 ] - [ -0.0049526300000000, -0.0022678300000000, 0.0232042300000000 ] - [ -0.0049526300000000, 0.0022678300000000, 0.0232042300000000 ] - [ 0.0012159300000000, 0.0000000000000000, 0.0106212100000000 ] - [ 0.0031811800000000, 0.0003767000000000, 0.0057680300000000 ] - [ 0.0031811800000000, -0.0003767000000000, 0.0057680300000000 ] - [ 0.0024597700000000, 0.0000000000000000, 0.0072885500000000 ] - [ 0.0015140600000000, -0.0014037200000000, -0.0073631900000000 ] - [ 0.0015140600000000, 0.0014037200000000, -0.0073631900000000 ] - [ 0.0012639500000000, 0.0000000000000000, 0.0001104400000000 ] - [ 0.0081171100000000, 0.0023086700000000, 0.0013183600000000 ] - [ 0.0081171100000000, -0.0023086700000000, 0.0013183600000000 ] - [ 0.0036721800000000, 0.0000000000000000, 0.0005327500000000 ] - [ -0.0024371000000000, -0.0002160000000000, 0.0011186000000000 ] - [ -0.0024371000000000, 0.0002160000000000, 0.0011186000000000 ] - [ -0.0015590800000000, 0.0000000000000000, 0.0005348400000000 ] - [ -0.0020367700000000, 0.0000656600000000, -0.0010979000000000 ] - [ -0.0020367700000000, -0.0000656600000000, -0.0010979000000000 ] - [ -0.0019436000000000, 0.0000000000000000, -0.0005195100000000 ] - [ -0.0029896000000000, -0.0001530500000000, -0.0089828100000000 ] - [ -0.0029896000000000, 0.0001530500000000, -0.0089828100000000 ] - [ -0.0022079900000000, 0.0000000000000000, -0.0085812200000000 ] - [ -0.0013569600000000, 0.0005057000000000, -0.0079104200000000 ] - [ -0.0013569600000000, -0.0005057000000000, -0.0079104200000000 ] - [ -0.0015861000000000, 0.0000000000000000, -0.0082571600000000 ] - [ 0.0074057500000000, 0.0000000000000000, 0.0082725200000000 ] - [ 0.0023615400000000, 0.0004748800000000, 0.0086721400000000 ] - [ 0.0023615400000000, -0.0004748800000000, 0.0086721400000000 ] - [ 0.0006289100000000, 0.0000000000000000, 0.0064833600000000 ] - [ 0.0014451300000000, -0.0000971200000000, 0.0077341300000000 ] - [ 0.0014451300000000, 0.0000971200000000, 0.0077341300000000 ] - [ 0.0020838000000000, 0.0000000000000000, -0.0023572200000000 ] - [ 0.0017657500000000, 0.0001526700000000, -0.0005110000000000 ] - [ 0.0017657500000000, -0.0001526700000000, -0.0005110000000000 ] - [ -0.0083647500000000, 0.0000000000000000, 0.0018765900000000 ] - [ 0.0003665700000000, -0.0001444400000000, 0.0004771000000000 ] - [ 0.0003665700000000, 0.0001444400000000, 0.0004771000000000 ] - [ -0.0031397600000000, 0.0000000000000000, 0.0057019500000000 ] - [ -0.0018426500000000, 0.0000307900000000, 0.0030401400000000 ] - [ -0.0018426500000000, -0.0000307900000000, 0.0030401400000000 ] - [ 0.0220248400000000, 0.0000000000000000, 0.0018358800000000 ] - [ 0.0013418200000000, -0.0003414100000000, 0.0011496300000000 ] - [ 0.0013418200000000, 0.0003414100000000, 0.0011496300000000 ] - [ 0.0177055200000000, 0.0000000000000000, -0.1142516000000000 ] - [ -0.0111591600000000, -0.0015556600000000, -0.0029528700000000 ] - [ -0.0111591600000000, 0.0015556600000000, -0.0029528700000000 ] - [ -0.0116911400000000, 0.0000000000000000, -0.0005374100000000 ] - [ -0.0108668700000000, 0.0001103000000000, -0.0011768900000000 ] - [ -0.0108668700000000, -0.0001103000000000, -0.0011768900000000 ] - [ 0.0100804400000000, 0.0005984800000000, 0.0030195400000000 ] - [ 0.0100804400000000, -0.0005984800000000, 0.0030195400000000 ] - [ 0.0105228300000000, 0.0000000000000000, 0.0023090800000000 ] - [ 0.0058672000000000, -0.0226789000000000, 0.0106629700000000 ] - [ 0.0058672000000000, 0.0226789000000000, 0.0106629700000000 ] - [ 0.0087104300000000, 0.0000000000000000, 0.0010662000000000 ] - [ 0.0051198800000000, -0.0013360500000000, -0.0048762800000000 ] - [ 0.0051198800000000, 0.0013360500000000, -0.0048762800000000 ] - [ 0.0016348300000000, 0.0000000000000000, -0.0032115700000000 ] - [ 0.0009973000000000, 0.0000316200000000, -0.0013538000000000 ] - [ 0.0009973000000000, -0.0000316200000000, -0.0013538000000000 ] - [ 0.0012841200000000, 0.0000000000000000, -0.0019733300000000 ] - [ 0.0002863900000000, 0.0000563700000000, 0.0031953500000000 ] - [ 0.0002863900000000, -0.0000563700000000, 0.0031953500000000 ] - [ -0.0009528400000000, 0.0000000000000000, 0.0026265900000000 ] - [ -0.0033818000000000, -0.0001831200000000, 0.0010458200000000 ] - [ -0.0033818000000000, 0.0001831200000000, 0.0010458200000000 ] - [ -0.0024182100000000, 0.0000000000000000, 0.0018728800000000 ] - [ -0.0108707900000000, 0.0009281800000000, -0.0026095700000000 ] - [ -0.0108707900000000, -0.0009281800000000, -0.0026095700000000 ] - [ -0.0108846700000000, 0.0000000000000000, -0.0022076100000000 ] - [ -0.0103036700000000, -0.0002327100000000, -0.0012708100000000 ] - [ -0.0103036700000000, 0.0002327100000000, -0.0012708100000000 ] - [ -0.0104512400000000, 0.0000000000000000, -0.0015439600000000 ] - [ 0.0106763700000000, 0.0000000000000000, 0.0024596300000000 ] - [ 0.0107487400000000, -0.0001730400000000, 0.0021328500000000 ] - [ 0.0107487400000000, 0.0001730400000000, 0.0021328500000000 ] - [ 0.0121923400000000, 0.0000000000000000, 0.0002976400000000 ] - [ 0.0106822400000000, 0.0000712800000000, 0.0013344700000000 ] - [ 0.0106822400000000, -0.0000712800000000, 0.0013344700000000 ] - [ -0.0170635800000000, 0.0000000000000000, -0.0127757200000000 ] - [ 0.0003703600000000, -0.0003433600000000, -0.0033703200000000 ] - [ 0.0003703600000000, 0.0003433600000000, -0.0033703200000000 ] - [ 0.0034205300000000, 0.0000000000000000, -0.0010700500000000 ] - [ 0.0020704300000000, 0.0000367600000000, -0.0019947200000000 ] - [ 0.0020704300000000, -0.0000367600000000, -0.0019947200000000 ] - [ -0.0016830800000000, 0.0138945300000000, -0.0013457600000000 ] - [ -0.0016830800000000, -0.0138945300000000, -0.0013457600000000 ] - [ 0.0055659000000000, 0.0000000000000000, 0.0006905000000000 ] - [ 0.0046037500000000, -0.0015020600000000, 0.0018310900000000 ] - [ 0.0046037500000000, 0.0015020600000000, 0.0018310900000000 ] - [ 0.0047836400000000, 0.0000000000000000, 0.0014213300000000 ] - [ -0.0017135100000000, 0.0000000000000000, 0.0078863700000000 ] - [ 0.0017034100000000, -0.0003813000000000, 0.0007749400000000 ] - [ 0.0017034100000000, 0.0003813000000000, 0.0007749400000000 ] - [ -0.0024117800000000, 0.0000000000000000, 0.0300032700000000 ] - [ 0.0020666700000000, 0.0007974700000000, 0.0017403900000000 ] - [ 0.0020666700000000, -0.0007974700000000, 0.0017403900000000 ] - [ 0.0007139200000000, 0.0062737500000000, 0.0080697700000000 ] - [ 0.0007139200000000, -0.0062737500000000, 0.0080697700000000 ] - [ -0.0017813600000000, 0.0000000000000000, -0.0012840600000000 ] - [ -0.0024993300000000, -0.0002854600000000, 0.0021357500000000 ] - [ -0.0024993300000000, 0.0002854600000000, 0.0021357500000000 ] - [ -0.0020687000000000, 0.0000000000000000, 0.0008377600000000 ] - [ -0.0051731500000000, 0.0000000000000000, 0.0003843500000000 ] - [ -0.0055473400000000, -0.0017139100000000, -0.0005153000000000 ] - [ -0.0055473400000000, 0.0017139100000000, -0.0005153000000000 ] - [ -0.0099303700000000, 0.0000000000000000, 0.0013399400000000 ] - [ -0.0060490600000000, 0.0013598200000000, -0.0013931000000000 ] - [ -0.0060490600000000, -0.0013598200000000, -0.0013931000000000 ] - [ 0.0032261600000000, 0.0000000000000000, 0.0004544000000000 ] - [ 0.0050662500000000, -0.0005276400000000, 0.0009085900000000 ] - [ 0.0050662500000000, 0.0005276400000000, 0.0009085900000000 ] - [ 0.0053875700000000, 0.0000000000000000, 0.0012923600000000 ] - [ 0.0051768800000000, -0.0000460300000000, 0.0012027300000000 ] - [ 0.0051768800000000, 0.0000460300000000, 0.0012027300000000 ] - [ 0.0019483600000000, 0.0001020100000000, 0.0000205700000000 ] - [ 0.0019483600000000, -0.0001020100000000, 0.0000205700000000 ] - [ 0.0018574200000000, 0.0000000000000000, -0.0000834200000000 ] - [ 0.0018733900000000, -0.0000247200000000, 0.0005867300000000 ] - [ 0.0018733900000000, 0.0000247200000000, 0.0005867300000000 ] - [ 0.0018567500000000, 0.0000000000000000, 0.0003555200000000 ] - [ -0.0022359100000000, 0.0000000000000000, 0.0024364800000000 ] - [ -0.0018794000000000, -0.0000611600000000, 0.0002486200000000 ] - [ -0.0018794000000000, 0.0000611600000000, 0.0002486200000000 ] - [ -0.0009627700000000, 0.0000000000000000, 0.0013812100000000 ] - [ -0.0017685300000000, 0.0000564300000000, 0.0003572700000000 ] - [ -0.0017685300000000, -0.0000564300000000, 0.0003572700000000 ] - [ -0.0050154200000000, 0.0001290000000000, -0.0008940900000000 ] - [ -0.0050154200000000, -0.0001290000000000, -0.0008940900000000 ] - [ -0.0050943400000000, 0.0000000000000000, -0.0010053500000000 ] - [ -0.0047746900000000, -0.0006133700000000, -0.0015931400000000 ] - [ -0.0047746900000000, 0.0006133700000000, -0.0015931400000000 ] - [ -0.0048098900000000, 0.0000000000000000, -0.0012553200000000 ]- atom: 55 displacement: [ 0.0030415166827246, 0.0000000000000000, -0.0095262362068504 ] forces: - [ -0.0021937100000000, 0.0000000000000000, -0.0319274700000000 ] - [ -0.0020445600000000, -0.0053215000000000, -0.0020784700000000 ] - [ -0.0020445600000000, 0.0053215000000000, -0.0020784700000000 ] - [ -0.0023511000000000, 0.0000000000000000, 0.0104317600000000 ] - [ -0.0016413800000000, 0.0009965100000000, 0.0020702300000000 ] - [ -0.0016413800000000, -0.0009965100000000, 0.0020702300000000 ] - [ -0.0042372000000000, 0.0000000000000000, -0.0009011200000000 ] - [ -0.0027936000000000, -0.0006227100000000, -0.0071165200000000 ] - [ -0.0027936000000000, 0.0006227100000000, -0.0071165200000000 ] - [ -0.0065667500000000, 0.0000000000000000, -0.0200523500000000 ] - [ 0.0012032400000000, 0.0062851000000000, -0.0096915600000000 ] - [ 0.0012032400000000, -0.0062851000000000, -0.0096915600000000 ] - [ 0.0088505200000000, 0.0023134500000000, -0.0063519200000000 ] - [ 0.0088505200000000, -0.0023134500000000, -0.0063519200000000 ] - [ 0.0025324200000000, 0.0000000000000000, 0.0061463800000000 ] - [ 0.0006280300000000, -0.0003643700000000, 0.0109890000000000 ] - [ 0.0006280300000000, 0.0003643700000000, 0.0109890000000000 ] - [ 0.0013357500000000, 0.0000000000000000, 0.0094784300000000 ] - [ 0.0021256500000000, 0.0013983300000000, 0.0073597300000000 ] - [ 0.0021256500000000, -0.0013983300000000, 0.0073597300000000 ] - [ 0.0023687900000000, 0.0000000000000000, -0.0000644900000000 ] - [ -0.0044511500000000, -0.0022751100000000, -0.0012032200000000 ] - [ -0.0044511500000000, 0.0022751100000000, -0.0012032200000000 ] - [ -0.0000352900000000, 0.0000000000000000, -0.0004491900000000 ] - [ -0.0012728100000000, 0.0002086100000000, -0.0011959400000000 ] - [ -0.0012728100000000, -0.0002086100000000, -0.0011959400000000 ] - [ -0.0020890900000000, 0.0000000000000000, -0.0006048500000000 ] - [ -0.0016015000000000, -0.0000616400000000, 0.0010231600000000 ] - [ -0.0016015000000000, 0.0000616400000000, 0.0010231600000000 ] - [ -0.0016917500000000, 0.0000000000000000, 0.0004478300000000 ] - [ -0.0008093100000000, 0.0001548000000000, -0.0078048400000000 ] - [ -0.0008093100000000, -0.0001548000000000, -0.0078048400000000 ] - [ -0.0015874700000000, 0.0000000000000000, -0.0081973700000000 ] - [ -0.0024380900000000, -0.0004947300000000, -0.0088526900000000 ] - [ -0.0024380900000000, 0.0004947300000000, -0.0088526900000000 ] - [ -0.0022070000000000, 0.0000000000000000, -0.0085064400000000 ] - [ -0.0036377400000000, 0.0000000000000000, 0.0084990100000000 ] - [ 0.0014271200000000, -0.0004766700000000, 0.0080951400000000 ] - [ 0.0014271200000000, 0.0004766700000000, 0.0080951400000000 ] - [ 0.0031363300000000, 0.0000000000000000, 0.0102622800000000 ] - [ 0.0023390400000000, 0.0000924600000000, 0.0090304400000000 ] - [ 0.0023390400000000, -0.0000924600000000, 0.0090304400000000 ] - [ 0.0015341200000000, 0.0000000000000000, 0.0024131200000000 ] - [ 0.0018671600000000, -0.0001568300000000, 0.0005726500000000 ] - [ 0.0018671600000000, 0.0001568300000000, 0.0005726500000000 ] - [ 0.0118817200000000, 0.0000000000000000, -0.0018538900000000 ] - [ 0.0032633100000000, 0.0001342700000000, -0.0004009500000000 ] - [ 0.0032633100000000, -0.0001342700000000, -0.0004009500000000 ] - [ 0.0002542900000000, 0.0000000000000000, -0.0008778600000000 ] - [ -0.0010405800000000, -0.0000294700000000, 0.0017668200000000 ] - [ -0.0010405800000000, 0.0000294700000000, 0.0017668200000000 ] - [ -0.0246069900000000, 0.0000000000000000, 0.0028660800000000 ] - [ -0.0042169500000000, 0.0003398200000000, 0.0036360000000000 ] - [ -0.0042169500000000, -0.0003398200000000, 0.0036360000000000 ] - [ -0.0404386700000000, 0.0000000000000000, 0.1076105900000000 ] - [ -0.0101121200000000, 0.0014246800000000, -0.0007148500000000 ] - [ -0.0101121200000000, -0.0014246800000000, -0.0007148500000000 ] - [ -0.0095152800000000, 0.0000000000000000, -0.0030768900000000 ] - [ -0.0103184400000000, -0.0001046100000000, -0.0024378400000000 ] - [ -0.0103184400000000, 0.0001046100000000, -0.0024378400000000 ] - [ 0.0110947300000000, -0.0006064500000000, 0.0006038900000000 ] - [ 0.0110947300000000, 0.0006064500000000, 0.0006038900000000 ] - [ 0.0106538000000000, 0.0000000000000000, 0.0013142500000000 ] - [ 0.0152740000000000, 0.0223889200000000, -0.0070278800000000 ] - [ 0.0152740000000000, -0.0223889200000000, -0.0070278800000000 ] - [ 0.0124622300000000, 0.0000000000000000, 0.0025285600000000 ] - [ -0.0021217200000000, 0.0013424300000000, 0.0000438200000000 ] - [ -0.0021217200000000, -0.0013424300000000, 0.0000438200000000 ] - [ 0.0012670100000000, 0.0000000000000000, -0.0015999900000000 ] - [ 0.0018751800000000, -0.0000315300000000, -0.0034355600000000 ] - [ 0.0018751800000000, 0.0000315300000000, -0.0034355600000000 ] - [ 0.0015941000000000, 0.0000000000000000, -0.0028202300000000 ] - [ -0.0031570400000000, -0.0000569100000000, 0.0016146000000000 ] - [ -0.0031570400000000, 0.0000569100000000, 0.0016146000000000 ] - [ -0.0019195100000000, 0.0000000000000000, 0.0021781200000000 ] - [ 0.0004984200000000, 0.0001808300000000, 0.0037397400000000 ] - [ 0.0004984200000000, -0.0001808300000000, 0.0037397400000000 ] - [ -0.0004628700000000, 0.0000000000000000, 0.0029213100000000 ] - [ -0.0103007000000000, -0.0009369500000000, -0.0010145500000000 ] - [ -0.0103007000000000, 0.0009369500000000, -0.0010145500000000 ] - [ -0.0102921100000000, 0.0000000000000000, -0.0014146400000000 ] - [ -0.0108740400000000, 0.0002241600000000, -0.0023414100000000 ] - [ -0.0108740400000000, -0.0002241600000000, -0.0023414100000000 ] - [ -0.0107304200000000, 0.0000000000000000, -0.0020732300000000 ] - [ 0.0105149200000000, 0.0000000000000000, 0.0011688900000000 ] - [ 0.0104345500000000, 0.0001724200000000, 0.0014900300000000 ] - [ 0.0104345500000000, -0.0001724200000000, 0.0014900300000000 ] - [ 0.0090186900000000, 0.0000000000000000, 0.0033199900000000 ] - [ 0.0104999400000000, -0.0000669300000000, 0.0022797700000000 ] - [ 0.0104999400000000, 0.0000669300000000, 0.0022797700000000 ] - [ 0.0201128200000000, 0.0000000000000000, 0.0079467600000000 ] - [ 0.0025005600000000, 0.0003436100000000, -0.0014396900000000 ] - [ 0.0025005600000000, -0.0003436100000000, -0.0014396900000000 ] - [ -0.0005006400000000, 0.0000000000000000, -0.0037151700000000 ] - [ 0.0008179900000000, -0.0000357700000000, -0.0028036400000000 ] - [ 0.0008179900000000, 0.0000357700000000, -0.0028036400000000 ] - [ 0.0118374200000000, -0.0139398700000000, 0.0035676800000000 ] - [ 0.0118374200000000, 0.0139398700000000, 0.0035676800000000 ] - [ 0.0046058100000000, 0.0000000000000000, 0.0014782400000000 ] - [ 0.0055750400000000, 0.0014659900000000, 0.0003437700000000 ] - [ 0.0055750400000000, -0.0014659900000000, 0.0003437700000000 ] - [ 0.0054016700000000, 0.0000000000000000, 0.0007457100000000 ] - [ 0.0054814500000000, 0.0000000000000000, -0.0079600900000000 ] - [ 0.0020088500000000, 0.0003805800000000, -0.0007593300000000 ] - [ 0.0020088500000000, -0.0003805800000000, -0.0007593300000000 ] - [ 0.0060221900000000, 0.0000000000000000, -0.0294185100000000 ] - [ 0.0016516300000000, -0.0007930600000000, -0.0017435100000000 ] - [ 0.0016516300000000, 0.0007930600000000, -0.0017435100000000 ] - [ -0.0044487100000000, -0.0062884400000000, -0.0080335600000000 ] - [ -0.0044487100000000, 0.0062884400000000, -0.0080335600000000 ] - [ -0.0019338100000000, 0.0000000000000000, 0.0012960600000000 ] - [ -0.0012208400000000, 0.0002800000000000, -0.0021415100000000 ] - [ -0.0012208400000000, -0.0002800000000000, -0.0021415100000000 ] - [ -0.0016482400000000, 0.0000000000000000, -0.0008477300000000 ] - [ -0.0050376900000000, 0.0000000000000000, -0.0025288600000000 ] - [ -0.0046434100000000, 0.0017082500000000, -0.0016425600000000 ] - [ -0.0046434100000000, -0.0017082500000000, -0.0016425600000000 ] - [ -0.0003606100000000, 0.0000000000000000, -0.0034474100000000 ] - [ -0.0041467200000000, -0.0013418300000000, -0.0007778400000000 ] - [ -0.0041467200000000, 0.0013418300000000, -0.0007778400000000 ] - [ 0.0069979700000000, 0.0000000000000000, 0.0017148800000000 ] - [ 0.0051325300000000, 0.0005209000000000, 0.0012570500000000 ] - [ 0.0051325300000000, -0.0005209000000000, 0.0012570500000000 ] - [ 0.0048046900000000, 0.0000000000000000, 0.0008750900000000 ] - [ 0.0050114300000000, 0.0000475600000000, 0.0009644300000000 ] - [ 0.0050114300000000, -0.0000475600000000, 0.0009644300000000 ] - [ 0.0017709700000000, -0.0001026500000000, 0.0000039200000000 ] - [ 0.0017709700000000, 0.0001026500000000, 0.0000039200000000 ] - [ 0.0018579500000000, 0.0000000000000000, 0.0001016600000000 ] - [ 0.0018429500000000, 0.0000241700000000, -0.0005781900000000 ] - [ 0.0018429500000000, -0.0000241700000000, -0.0005781900000000 ] - [ 0.0018600700000000, 0.0000000000000000, -0.0003493200000000 ] - [ -0.0014786000000000, 0.0000000000000000, -0.0024378300000000 ] - [ -0.0018356700000000, 0.0000624600000000, -0.0002471800000000 ] - [ -0.0018356700000000, -0.0000624600000000, -0.0002471800000000 ] - [ -0.0027451000000000, 0.0000000000000000, -0.0013643700000000 ] - [ -0.0019476900000000, -0.0000550800000000, -0.0003626600000000 ] - [ -0.0019476900000000, 0.0000550800000000, -0.0003626600000000 ] - [ -0.0051686500000000, -0.0001359400000000, -0.0012702300000000 ] - [ -0.0051686500000000, 0.0001359400000000, -0.0012702300000000 ] - [ -0.0050907500000000, 0.0000000000000000, -0.0011590100000000 ] - [ -0.0054079200000000, 0.0005979300000000, -0.0005755700000000 ] - [ -0.0054079200000000, -0.0005979300000000, -0.0005755700000000 ] - [ -0.0053737500000000, 0.0000000000000000, -0.0009131400000000 ]- atom: 97 displacement: [ 0.0099999556214383, 0.0000000000000000, -0.0000297921007044 ] forces: - [ 0.0146741500000000, 0.0098176900000000, -0.0005293500000000 ] - [ -0.0011511000000000, 0.0000000000000000, -0.0005925600000000 ] - [ 0.0146741500000000, -0.0098176900000000, -0.0005293500000000 ] - [ -0.0017009400000000, 0.0001082100000000, 0.0010458300000000 ] - [ -0.0017090800000000, 0.0000000000000000, 0.0005736600000000 ] - [ -0.0017009400000000, -0.0001082100000000, 0.0010458300000000 ] - [ -0.0012414900000000, 0.0002297400000000, -0.0039106400000000 ] - [ -0.0017649100000000, 0.0000000000000000, -0.0069930300000000 ] - [ -0.0012414900000000, -0.0002297400000000, -0.0039106400000000 ] - [ 0.0023813500000000, 0.0014265800000000, -0.0050020400000000 ] - [ -0.0002779500000000, 0.0000000000000000, -0.0075600700000000 ] - [ 0.0023813500000000, -0.0014265800000000, -0.0050020400000000 ] - [ -0.0186456200000000, 0.0000000000000000, 0.0154113400000000 ] - [ 0.0034891300000000, 0.0045819500000000, 0.0076349700000000 ] - [ 0.0034891300000000, -0.0045819500000000, 0.0076349700000000 ] - [ 0.0021589600000000, 0.0000000000000000, 0.0098288300000000 ] - [ 0.0019906300000000, 0.0001149700000000, 0.0091641700000000 ] - [ 0.0019906300000000, -0.0001149700000000, 0.0091641700000000 ] - [ 0.0030393100000000, 0.0000000000000000, -0.0070633800000000 ] - [ 0.0022832100000000, 0.0006158800000000, -0.0008873900000000 ] - [ 0.0022832100000000, -0.0006158800000000, -0.0008873900000000 ] - [ 0.0008465200000000, 0.0000000000000000, 0.0037301800000000 ] - [ 0.0007511500000000, 0.0008618100000000, 0.0005866900000000 ] - [ 0.0007511500000000, -0.0008618100000000, 0.0005866900000000 ] - [ -0.0111104300000000, 0.0000000000000000, -0.0021687000000000 ] - [ -0.0038666700000000, 0.0007840900000000, -0.0002112700000000 ] - [ -0.0038666700000000, -0.0007840900000000, -0.0002112700000000 ] - [ -0.0020817200000000, 0.0000000000000000, -0.0007258800000000 ] - [ -0.0019332800000000, 0.0001668600000000, -0.0003135700000000 ] - [ -0.0019332800000000, -0.0001668600000000, -0.0003135700000000 ] - [ -0.0031438600000000, 0.0000000000000000, -0.0103521300000000 ] - [ -0.0022325500000000, 0.0001694600000000, -0.0085751200000000 ] - [ -0.0022325500000000, -0.0001694600000000, -0.0085751200000000 ] - [ -0.0046613900000000, 0.0000000000000000, -0.0089838400000000 ] - [ -0.0028363700000000, 0.0000727900000000, -0.0093033000000000 ] - [ -0.0028363700000000, -0.0000727900000000, -0.0093033000000000 ] - [ -0.0062854400000000, -0.0006428800000000, 0.0100013700000000 ] - [ 0.0003593600000000, 0.0000000000000000, 0.0085517000000000 ] - [ -0.0062854400000000, 0.0006428800000000, 0.0100013700000000 ] - [ 0.0017270800000000, 0.0001936000000000, 0.0077566800000000 ] - [ 0.0017951000000000, 0.0000000000000000, 0.0079840900000000 ] - [ 0.0017270800000000, -0.0001936000000000, 0.0077566800000000 ] - [ 0.0010766700000000, 0.0000486500000000, 0.0012124800000000 ] - [ 0.0014896300000000, 0.0000000000000000, 0.0005881100000000 ] - [ 0.0010766700000000, -0.0000486500000000, 0.0012124800000000 ] - [ 0.0019938500000000, -0.0001316700000000, -0.0025135500000000 ] - [ 0.0021590700000000, 0.0000000000000000, -0.0008852500000000 ] - [ 0.0019938500000000, 0.0001316700000000, -0.0025135500000000 ] - [ -0.0011565600000000, 0.0000641300000000, 0.0018209600000000 ] - [ -0.0012876500000000, 0.0000000000000000, 0.0021222000000000 ] - [ -0.0011565600000000, -0.0000641300000000, 0.0018209600000000 ] - [ -0.0051308400000000, 0.0010941400000000, 0.0051117300000000 ] - [ -0.0028936500000000, 0.0000000000000000, 0.0030898600000000 ] - [ -0.0051308400000000, -0.0010941400000000, 0.0051117300000000 ] - [ -0.0044805600000000, -0.0183678400000000, -0.0069302900000000 ] - [ -0.0133414000000000, 0.0000000000000000, -0.0021837100000000 ] - [ -0.0044805600000000, 0.0183678400000000, -0.0069302900000000 ] - [ -0.0107318800000000, -0.0001745400000000, -0.0023626900000000 ] - [ -0.0106731100000000, 0.0000000000000000, -0.0021593200000000 ] - [ -0.0107318800000000, 0.0001745400000000, -0.0023626900000000 ] - [ 0.0090411000000000, 0.0000000000000000, 0.0012458000000000 ] - [ 0.0101083200000000, 0.0002932800000000, 0.0011827000000000 ] - [ 0.0101083200000000, -0.0002932800000000, 0.0011827000000000 ] - [ 0.0123309700000000, 0.0000000000000000, -0.0026080100000000 ] - [ 0.0107484700000000, -0.0010832100000000, 0.0008632300000000 ] - [ 0.0107484700000000, 0.0010832100000000, 0.0008632300000000 ] - [ 0.0244245300000000, 0.0000000000000000, -0.0064884100000000 ] - [ 0.0028498000000000, -0.0001810100000000, -0.0023472400000000 ] - [ 0.0028498000000000, 0.0001810100000000, -0.0023472400000000 ] - [ 0.0012303200000000, 0.0000000000000000, -0.0020202500000000 ] - [ 0.0013614800000000, -0.0000435000000000, -0.0022771800000000 ] - [ 0.0013614800000000, 0.0000435000000000, -0.0022771800000000 ] - [ -0.0002332400000000, 0.0000000000000000, 0.0035267700000000 ] - [ -0.0012266700000000, -0.0000465900000000, 0.0025039500000000 ] - [ -0.0012266700000000, 0.0000465900000000, 0.0025039500000000 ] - [ 0.0019382100000000, 0.0000000000000000, 0.0008628200000000 ] - [ -0.0002865800000000, -0.0000669400000000, 0.0024928400000000 ] - [ -0.0002865800000000, 0.0000669400000000, 0.0024928400000000 ] - [ -0.0050078500000000, 0.0000000000000000, -0.0020034300000000 ] - [ -0.0089008000000000, 0.0010683200000000, -0.0013044600000000 ] - [ -0.0089008000000000, -0.0010683200000000, -0.0013044600000000 ] - [ -0.0103026900000000, 0.0000000000000000, -0.0014164200000000 ] - [ -0.0105188700000000, -0.0000734100000000, -0.0017017100000000 ] - [ -0.0105188700000000, 0.0000734100000000, -0.0017017100000000 ] - [ 0.0109855900000000, -0.0003433800000000, 0.0020136500000000 ] - [ 0.0108127900000000, 0.0000000000000000, 0.0018780200000000 ] - [ 0.0109855900000000, 0.0003433800000000, 0.0020136500000000 ] - [ 0.0109482200000000, -0.0004090900000000, 0.0022556200000000 ] - [ 0.0107888100000000, 0.0000000000000000, 0.0021681900000000 ] - [ 0.0109482200000000, 0.0004090900000000, 0.0022556200000000 ] - [ 0.0114507900000000, 0.0064327700000000, -0.0009356000000000 ] - [ 0.0027487500000000, 0.0000000000000000, -0.0019312000000000 ] - [ 0.0114507900000000, -0.0064327700000000, -0.0009356000000000 ] - [ 0.0014122600000000, -0.0000225300000000, -0.0025720600000000 ] - [ 0.0013961300000000, 0.0000000000000000, -0.0025144800000000 ] - [ 0.0014122600000000, 0.0000225300000000, -0.0025720600000000 ] - [ -0.0503501900000000, 0.0000000000000000, 0.0061048700000000 ] - [ 0.0024514000000000, 0.0121003500000000, 0.0014547200000000 ] - [ 0.0024514000000000, -0.0121003500000000, 0.0014547200000000 ] - [ 0.0050418300000000, 0.0000000000000000, 0.0008820300000000 ] - [ 0.0050994700000000, -0.0000705700000000, 0.0009429500000000 ] - [ 0.0050994700000000, 0.0000705700000000, 0.0009429500000000 ] - [ -0.0002008100000000, 0.0026803800000000, -0.0073992600000000 ] - [ 0.0018136000000000, 0.0000000000000000, -0.0016356700000000 ] - [ -0.0002008100000000, -0.0026803800000000, -0.0073992600000000 ] - [ 0.0017213200000000, -0.0001173400000000, -0.0013989300000000 ] - [ 0.0017496600000000, 0.0000000000000000, -0.0006185200000000 ] - [ 0.0017213200000000, 0.0001173400000000, -0.0013989300000000 ] - [ 0.0032880800000000, 0.0000000000000000, 0.0101406700000000 ] - [ -0.0021245200000000, -0.0003864900000000, 0.0013039200000000 ] - [ -0.0021245200000000, 0.0003864900000000, 0.0013039200000000 ] - [ -0.0017053800000000, 0.0000000000000000, -0.0020595400000000 ] - [ -0.0017412300000000, -0.0000904800000000, -0.0008143600000000 ] - [ -0.0017412300000000, 0.0000904800000000, -0.0008143600000000 ] - [ -0.0056060700000000, -0.0009359600000000, -0.0007693600000000 ] - [ -0.0054245100000000, 0.0000000000000000, -0.0009919900000000 ] - [ -0.0056060700000000, 0.0009359600000000, -0.0007693600000000 ] - [ -0.0047559900000000, -0.0011137800000000, -0.0015587200000000 ] - [ -0.0050249700000000, 0.0000000000000000, -0.0011790400000000 ] - [ -0.0047559900000000, 0.0011137800000000, -0.0015587200000000 ] - [ 0.0062239700000000, -0.0013228900000000, 0.0010390500000000 ] - [ 0.0057064900000000, 0.0000000000000000, 0.0010444100000000 ] - [ 0.0062239700000000, 0.0013228900000000, 0.0010390500000000 ] - [ 0.0051804000000000, -0.0002459600000000, 0.0011646200000000 ] - [ 0.0051481100000000, 0.0000000000000000, 0.0011262900000000 ] - [ 0.0051804000000000, 0.0002459600000000, 0.0011646200000000 ] - [ 0.0024449900000000, 0.0000000000000000, 0.0027070600000000 ] - [ 0.0020056200000000, -0.0000850700000000, 0.0001734200000000 ] - [ 0.0020056200000000, 0.0000850700000000, 0.0001734200000000 ] - [ 0.0020236300000000, 0.0000000000000000, 0.0004204100000000 ] - [ 0.0019084400000000, -0.0000238200000000, 0.0004090800000000 ] - [ 0.0019084400000000, 0.0000238200000000, 0.0004090800000000 ] - [ -0.0013632600000000, 0.0000215500000000, -0.0012726900000000 ] - [ -0.0017079800000000, 0.0000000000000000, -0.0005684200000000 ] - [ -0.0013632600000000, -0.0000215500000000, -0.0012726900000000 ] - [ -0.0019207700000000, -0.0000252800000000, 0.0010310300000000 ] - [ -0.0018975400000000, 0.0000000000000000, 0.0005937100000000 ] - [ -0.0019207700000000, 0.0000252800000000, 0.0010310300000000 ] - [ -0.0046088600000000, 0.0000000000000000, -0.0011622600000000 ] - [ -0.0048941800000000, 0.0000665600000000, -0.0011946700000000 ] - [ -0.0048941800000000, -0.0000665600000000, -0.0011946700000000 ] - [ -0.0043835200000000, 0.0000000000000000, -0.0006032300000000 ] - [ -0.0048800800000000, 0.0003970800000000, -0.0006363700000000 ] - [ -0.0048800800000000, -0.0003970800000000, -0.0006363700000000 ]- atom: 97 displacement: [ -0.0099999556214383, 0.0000000000000000, 0.0000297921007044 ] forces: - [ -0.0184870000000000, -0.0097034000000000, 0.0004658700000000 ] - [ -0.0024748200000000, 0.0000000000000000, 0.0005307100000000 ] - [ -0.0184870000000000, 0.0097034000000000, 0.0004658700000000 ] - [ -0.0019364300000000, -0.0001095300000000, -0.0011174600000000 ] - [ -0.0019292300000000, 0.0000000000000000, -0.0006416100000000 ] - [ -0.0019364300000000, 0.0001095300000000, -0.0011174600000000 ] - [ -0.0025509000000000, -0.0002328000000000, -0.0129504600000000 ] - [ -0.0020217600000000, 0.0000000000000000, -0.0097972700000000 ] - [ -0.0025509000000000, 0.0002328000000000, -0.0129504600000000 ] - [ -0.0062301800000000, -0.0014586500000000, -0.0117657400000000 ] - [ -0.0035263100000000, 0.0000000000000000, -0.0092168400000000 ] - [ -0.0062301800000000, 0.0014586500000000, -0.0117657400000000 ] - [ 0.0217424600000000, 0.0000000000000000, 0.0012451200000000 ] - [ 0.0002882400000000, -0.0045976300000000, 0.0091387900000000 ] - [ 0.0002882400000000, 0.0045976300000000, 0.0091387900000000 ] - [ 0.0016240800000000, 0.0000000000000000, 0.0069232600000000 ] - [ 0.0017987400000000, -0.0001159100000000, 0.0076042800000000 ] - [ 0.0017987400000000, 0.0001159100000000, 0.0076042800000000 ] - [ 0.0005707100000000, 0.0000000000000000, 0.0072280100000000 ] - [ 0.0013459900000000, -0.0006266300000000, 0.0009572300000000 ] - [ 0.0013459900000000, 0.0006266300000000, 0.0009572300000000 ] - [ 0.0027808800000000, 0.0000000000000000, -0.0037274300000000 ] - [ 0.0028882300000000, -0.0008719900000000, -0.0005227600000000 ] - [ 0.0028882300000000, 0.0008719900000000, -0.0005227600000000 ] - [ 0.0075950200000000, 0.0000000000000000, 0.0021306100000000 ] - [ 0.0002294800000000, -0.0008024300000000, 0.0001448200000000 ] - [ 0.0002294800000000, 0.0008024300000000, 0.0001448200000000 ] - [ -0.0015535300000000, 0.0000000000000000, 0.0006671200000000 ] - [ -0.0017068800000000, -0.0001701900000000, 0.0002474400000000 ] - [ -0.0017068800000000, 0.0001701900000000, 0.0002474400000000 ] - [ -0.0006338900000000, 0.0000000000000000, -0.0063772400000000 ] - [ -0.0015575800000000, -0.0001752400000000, -0.0081974700000000 ] - [ -0.0015575800000000, 0.0001752400000000, -0.0081974700000000 ] - [ 0.0009132300000000, 0.0000000000000000, -0.0078082800000000 ] - [ -0.0009464000000000, -0.0000756700000000, -0.0074720000000000 ] - [ -0.0009464000000000, 0.0000756700000000, -0.0074720000000000 ] - [ 0.0101210500000000, 0.0006217200000000, 0.0067881100000000 ] - [ 0.0034438900000000, 0.0000000000000000, 0.0082251900000000 ] - [ 0.0101210500000000, -0.0006217200000000, 0.0067881100000000 ] - [ 0.0020666200000000, -0.0001964800000000, 0.0090334900000000 ] - [ 0.0019997000000000, 0.0000000000000000, 0.0087998800000000 ] - [ 0.0020666200000000, 0.0001964800000000, 0.0090334900000000 ] - [ 0.0025769100000000, -0.0000534900000000, -0.0011421900000000 ] - [ 0.0021545100000000, 0.0000000000000000, -0.0005212900000000 ] - [ 0.0025769100000000, 0.0000534900000000, -0.0011421900000000 ] - [ 0.0016802500000000, 0.0001363200000000, 0.0026101100000000 ] - [ 0.0014827800000000, 0.0000000000000000, 0.0009574000000000 ] - [ 0.0016802500000000, -0.0001363200000000, 0.0026101100000000 ] - [ -0.0017380600000000, -0.0000622300000000, 0.0029915000000000 ] - [ -0.0015973000000000, 0.0000000000000000, 0.0026866500000000 ] - [ -0.0017380600000000, 0.0000622300000000, 0.0029915000000000 ] - [ 0.0022663600000000, -0.0011326600000000, -0.0003692500000000 ] - [ 0.0000158100000000, 0.0000000000000000, 0.0017086000000000 ] - [ 0.0022663600000000, 0.0011326600000000, -0.0003692500000000 ] - [ -0.0166951100000000, 0.0184988300000000, 0.0033475700000000 ] - [ -0.0078276500000000, 0.0000000000000000, -0.0014328100000000 ] - [ -0.0166951100000000, -0.0184988300000000, 0.0033475700000000 ] - [ -0.0104490300000000, 0.0001787100000000, -0.0012480100000000 ] - [ -0.0105115200000000, 0.0000000000000000, -0.0014562800000000 ] - [ -0.0104490300000000, -0.0001787100000000, -0.0012480100000000 ] - [ 0.0121685800000000, 0.0000000000000000, 0.0023945300000000 ] - [ 0.0110825500000000, -0.0002990500000000, 0.0024456300000000 ] - [ 0.0110825500000000, 0.0002990500000000, 0.0024456300000000 ] - [ 0.0088214800000000, 0.0000000000000000, 0.0063312000000000 ] - [ 0.0104421500000000, 0.0010878900000000, 0.0027598100000000 ] - [ 0.0104421500000000, -0.0010878900000000, 0.0027598100000000 ] - [ -0.0220898900000000, 0.0000000000000000, 0.0018276400000000 ] - [ 0.0000357300000000, 0.0001831300000000, -0.0024583600000000 ] - [ 0.0000357300000000, -0.0001831300000000, -0.0024583600000000 ] - [ 0.0016542800000000, 0.0000000000000000, -0.0027905600000000 ] - [ 0.0015224000000000, 0.0000443100000000, -0.0025270400000000 ] - [ 0.0015224000000000, -0.0000443100000000, -0.0025270400000000 ] - [ -0.0026599300000000, 0.0000000000000000, 0.0012628700000000 ] - [ -0.0016503100000000, 0.0000477200000000, 0.0023010300000000 ] - [ -0.0016503100000000, -0.0000477200000000, 0.0023010300000000 ] - [ -0.0048566900000000, 0.0000000000000000, 0.0039797700000000 ] - [ -0.0026003100000000, 0.0000686300000000, 0.0023149700000000 ] - [ -0.0026003100000000, -0.0000686300000000, 0.0023149700000000 ] - [ -0.0162051200000000, 0.0000000000000000, -0.0016221000000000 ] - [ -0.0122890100000000, -0.0010638300000000, -0.0023169900000000 ] - [ -0.0122890100000000, 0.0010638300000000, -0.0023169900000000 ] - [ -0.0108838000000000, 0.0000000000000000, -0.0022116200000000 ] - [ -0.0106664500000000, 0.0000764200000000, -0.0019209900000000 ] - [ -0.0106664500000000, -0.0000764200000000, -0.0019209900000000 ] - [ 0.0101929700000000, 0.0003512900000000, 0.0016003400000000 ] - [ 0.0103666700000000, 0.0000000000000000, 0.0017392500000000 ] - [ 0.0101929700000000, -0.0003512900000000, 0.0016003400000000 ] - [ 0.0102266000000000, 0.0004203700000000, 0.0013568200000000 ] - [ 0.0103932900000000, 0.0000000000000000, 0.0014484900000000 ] - [ 0.0102266000000000, -0.0004203700000000, 0.0013568200000000 ] - [ -0.0085741000000000, -0.0063668300000000, -0.0038620900000000 ] - [ 0.0001127200000000, 0.0000000000000000, -0.0028790400000000 ] - [ -0.0085741000000000, 0.0063668300000000, -0.0038620900000000 ] - [ 0.0014639400000000, 0.0000232700000000, -0.0022351600000000 ] - [ 0.0014841300000000, 0.0000000000000000, -0.0022911500000000 ] - [ 0.0014639400000000, -0.0000232700000000, -0.0022351600000000 ] - [ 0.0621325100000000, 0.0000000000000000, -0.0040314500000000 ] - [ 0.0077803100000000, -0.0121763500000000, 0.0007087700000000 ] - [ 0.0077803100000000, 0.0121763500000000, 0.0007087700000000 ] - [ 0.0051487200000000, 0.0000000000000000, 0.0012858500000000 ] - [ 0.0050886200000000, 0.0000704200000000, 0.0012240800000000 ] - [ 0.0050886200000000, -0.0000704200000000, 0.0012240800000000 ] - [ 0.0038784900000000, -0.0027461700000000, 0.0075216400000000 ] - [ 0.0018993100000000, 0.0000000000000000, 0.0016564300000000 ] - [ 0.0038784900000000, 0.0027461700000000, 0.0075216400000000 ] - [ 0.0019949000000000, 0.0001201500000000, 0.0014094800000000 ] - [ 0.0019650300000000, 0.0000000000000000, 0.0006250900000000 ] - [ 0.0019949000000000, -0.0001201500000000, 0.0014094800000000 ] - [ -0.0070877800000000, 0.0000000000000000, -0.0103710300000000 ] - [ -0.0015857600000000, 0.0003887500000000, -0.0013167700000000 ] - [ -0.0015857600000000, -0.0003887500000000, -0.0013167700000000 ] - [ -0.0020087900000000, 0.0000000000000000, 0.0020824200000000 ] - [ -0.0019723000000000, 0.0000917700000000, 0.0008135800000000 ] - [ -0.0019723000000000, -0.0000917700000000, 0.0008135800000000 ] - [ -0.0045763000000000, 0.0009516600000000, -0.0013988700000000 ] - [ -0.0047592900000000, 0.0000000000000000, -0.0011745200000000 ] - [ -0.0045763000000000, -0.0009516600000000, -0.0013988700000000 ] - [ -0.0054295600000000, 0.0011336500000000, -0.0006053600000000 ] - [ -0.0051632700000000, 0.0000000000000000, -0.0009866200000000 ] - [ -0.0054295600000000, -0.0011336500000000, -0.0006053600000000 ] - [ 0.0039517700000000, 0.0013545100000000, 0.0011284000000000 ] - [ 0.0044801400000000, 0.0000000000000000, 0.0011213300000000 ] - [ 0.0039517700000000, -0.0013545100000000, 0.0011284000000000 ] - [ 0.0050071100000000, 0.0002503700000000, 0.0009999500000000 ] - [ 0.0050390100000000, 0.0000000000000000, 0.0010397900000000 ] - [ 0.0050071100000000, -0.0002503700000000, 0.0009999500000000 ] - [ 0.0012623700000000, 0.0000000000000000, -0.0027635600000000 ] - [ 0.0017067200000000, 0.0000881200000000, -0.0001708400000000 ] - [ 0.0017067200000000, -0.0000881200000000, -0.0001708400000000 ] - [ 0.0016840200000000, 0.0000000000000000, -0.0004070300000000 ] - [ 0.0018040700000000, 0.0000238700000000, -0.0004027100000000 ] - [ 0.0018040700000000, -0.0000238700000000, -0.0004027100000000 ] - [ -0.0023538400000000, -0.0000189800000000, 0.0012618000000000 ] - [ -0.0020053800000000, 0.0000000000000000, 0.0005607600000000 ] - [ -0.0023538400000000, 0.0000189800000000, 0.0012618000000000 ] - [ -0.0017934300000000, 0.0000250300000000, -0.0010551600000000 ] - [ -0.0018158100000000, 0.0000000000000000, -0.0006089100000000 ] - [ -0.0017934300000000, -0.0000250300000000, -0.0010551600000000 ] - [ -0.0055872300000000, 0.0000000000000000, -0.0010061700000000 ] - [ -0.0052954600000000, -0.0000648400000000, -0.0009713200000000 ] - [ -0.0052954600000000, 0.0000648400000000, -0.0009713200000000 ] - [ -0.0058199400000000, 0.0000000000000000, -0.0015692200000000 ] - [ -0.0053139700000000, -0.0004041700000000, -0.0015314800000000 ] - [ -0.0053139700000000, 0.0004041700000000, -0.0015314800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0191023700000000, 0.0467285000000000, -0.0027461100000000 ] - [ -0.0018307800000000, -0.0390772800000000, -0.0000393300000000 ] - [ -0.0211001100000000, 0.0398778500000000, 0.0026860300000000 ] - [ -0.0013968600000000, 0.0008951700000000, -0.0009160300000000 ] - [ -0.0018159400000000, -0.0018023900000000, -0.0000275100000000 ] - [ -0.0022400700000000, 0.0008863400000000, 0.0008815800000000 ] - [ -0.0008787900000000, 0.0025023700000000, 0.0149420300000000 ] - [ -0.0018964700000000, -0.0051003300000000, -0.0083487500000000 ] - [ -0.0029022300000000, 0.0024734300000000, -0.0315846200000000 ] - [ 0.0053613000000000, 0.0041349600000000, -0.0140994800000000 ] - [ -0.0018725400000000, -0.0051612100000000, -0.0083847700000000 ] - [ -0.0091729700000000, 0.0040143700000000, -0.0026002300000000 ] - [ 0.0012695600000000, 0.0230521400000000, 0.0084891200000000 ] - [ 0.0068302600000000, -0.0082247500000000, 0.0077935400000000 ] - [ -0.0029796900000000, -0.0083048300000000, 0.0089464400000000 ] - [ 0.0019024100000000, 0.0019468600000000, 0.0083945300000000 ] - [ 0.0016292100000000, -0.0010441200000000, 0.0089929700000000 ] - [ 0.0021644900000000, -0.0010484600000000, 0.0077971600000000 ] - [ 0.0018242000000000, 0.0030516300000000, -0.0000779600000000 ] - [ 0.0029671800000000, -0.0016031900000000, 0.0024690900000000 ] - [ 0.0006821700000000, -0.0016300200000000, -0.0024024800000000 ] - [ 0.0017976300000000, 0.0029374900000000, 0.0000728800000000 ] - [ 0.0024188400000000, -0.0014693400000000, -0.0009950300000000 ] - [ 0.0011905600000000, -0.0014979600000000, 0.0010699900000000 ] - [ -0.0019058300000000, 0.0030933500000000, -0.0000557400000000 ] - [ -0.0010345900000000, -0.0015433700000000, 0.0005459500000000 ] - [ -0.0026212600000000, -0.0015704900000000, -0.0006151100000000 ] - [ -0.0018215600000000, 0.0011004700000000, -0.0000403000000000 ] - [ -0.0013981400000000, -0.0005306700000000, -0.0002318800000000 ] - [ -0.0022356100000000, -0.0005396700000000, 0.0001593900000000 ] - [ -0.0019134500000000, 0.0016603300000000, -0.0084072000000000 ] - [ -0.0014990400000000, -0.0008354200000000, -0.0077672700000000 ] - [ -0.0022951000000000, -0.0008449700000000, -0.0090043200000000 ] - [ -0.0019197900000000, 0.0039647700000000, -0.0083882200000000 ] - [ -0.0022826700000000, -0.0021615600000000, -0.0097705200000000 ] - [ -0.0015276400000000, -0.0021735400000000, -0.0070159600000000 ] - [ -0.0159064600000000, 0.0029060100000000, 0.0098918200000000 ] - [ 0.0018689700000000, -0.0053635800000000, 0.0083867400000000 ] - [ 0.0196021000000000, 0.0028762400000000, 0.0068771800000000 ] - [ 0.0009842300000000, 0.0005820500000000, 0.0062627000000000 ] - [ 0.0018929500000000, -0.0011920700000000, 0.0083774500000000 ] - [ 0.0028030700000000, 0.0005724900000000, 0.0104985700000000 ] - [ -0.0008111700000000, 0.0009625400000000, 0.0019811300000000 ] - [ 0.0018089600000000, -0.0018986900000000, 0.0000424200000000 ] - [ 0.0044259600000000, 0.0009518900000000, -0.0019018800000000 ] - [ -0.0059139200000000, 0.0029641500000000, -0.0091776200000000 ] - [ 0.0018154600000000, -0.0066361900000000, 0.0000180900000000 ] - [ 0.0096206100000000, 0.0029162100000000, 0.0092137400000000 ] - [ 0.0011313800000000, -0.0003109700000000, 0.0006096600000000 ] - [ -0.0014323300000000, 0.0003516300000000, 0.0023956200000000 ] - [ -0.0039872400000000, -0.0003054800000000, 0.0041785500000000 ] - [ -0.0018011900000000, 0.0054561500000000, 0.0165507500000000 ] - [ -0.0014526000000000, 0.0018874800000000, 0.0024203800000000 ] - [ -0.0011088700000000, 0.0055120100000000, -0.0116782600000000 ] - [ -0.0327573600000000, 0.0160086500000000, 0.0057795400000000 ] - [ -0.0106227900000000, 0.0097364400000000, -0.0018068300000000 ] - [ 0.0113335500000000, 0.0160676800000000, -0.0093600500000000 ] - [ -0.0114161900000000, -0.0008012800000000, -0.0036420600000000 ] - [ -0.0105931700000000, 0.0018415500000000, -0.0018163300000000 ] - [ -0.0097696700000000, -0.0007919800000000, -0.0000001300000000 ] - [ 0.0105756000000000, -0.0070043700000000, 0.0018225300000000 ] - [ 0.0100947400000000, 0.0037413100000000, -0.0001487600000000 ] - [ 0.0110723900000000, 0.0037333400000000, 0.0037567000000000 ] - [ 0.0106314400000000, -0.0063550600000000, 0.0017531700000000 ] - [ 0.0100966200000000, 0.0044262600000000, 0.0030680100000000 ] - [ 0.0110984300000000, 0.0044687600000000, 0.0005531300000000 ] - [ 0.0016610500000000, -0.0015161800000000, -0.0024420400000000 ] - [ -0.0015263100000000, 0.0002044200000000, -0.0016280400000000 ] - [ 0.0044048900000000, 0.0002071400000000, -0.0031656200000000 ] - [ 0.0014359900000000, -0.0003202100000000, -0.0023932400000000 ] - [ 0.0011151400000000, 0.0001860900000000, -0.0026708400000000 ] - [ 0.0017601800000000, 0.0001882000000000, -0.0021279400000000 ] - [ -0.0014183000000000, -0.0002383000000000, 0.0024162000000000 ] - [ -0.0021843500000000, 0.0001230500000000, 0.0021138300000000 ] - [ -0.0006972100000000, 0.0001248900000000, 0.0026871100000000 ] - [ -0.0014037500000000, -0.0005340200000000, 0.0023856400000000 ] - [ -0.0015177000000000, 0.0003709400000000, 0.0026911700000000 ] - [ -0.0013400800000000, 0.0003736300000000, 0.0021132200000000 ] - [ -0.0105720700000000, -0.0093782900000000, -0.0018005800000000 ] - [ -0.0100107700000000, 0.0047390000000000, -0.0010674200000000 ] - [ -0.0111564600000000, 0.0047321100000000, -0.0025344400000000 ] - [ -0.0105862100000000, -0.0013595100000000, -0.0018049200000000 ] - [ -0.0107842700000000, 0.0006894400000000, -0.0018214300000000 ] - [ -0.0103988900000000, 0.0006944200000000, -0.0017972100000000 ] - [ 0.0115505500000000, -0.0005323400000000, 0.0019775400000000 ] - [ 0.0105946800000000, 0.0010725700000000, 0.0018103400000000 ] - [ 0.0096412100000000, -0.0005191800000000, 0.0016460200000000 ] - [ 0.0133328200000000, -0.0014623100000000, 0.0033307500000000 ] - [ 0.0105969900000000, 0.0028063400000000, 0.0018169400000000 ] - [ 0.0078507200000000, -0.0014471400000000, 0.0003083300000000 ] - [ 0.0356722100000000, 0.0033273300000000, 0.0045347400000000 ] - [ 0.0014860200000000, 0.0021198100000000, -0.0023864900000000 ] - [ -0.0323722800000000, 0.0034121800000000, -0.0092335300000000 ] - [ 0.0021503600000000, -0.0001099200000000, -0.0023412700000000 ] - [ 0.0014415300000000, 0.0002222400000000, -0.0024014300000000 ] - [ 0.0007313900000000, -0.0001087100000000, -0.0024643800000000 ] - [ 0.0038625500000000, -0.2473950400000000, 0.0011654300000000 ] - [ -0.0071560600000000, 0.0498767700000000, 0.0024336700000000 ] - [ 0.0171146600000000, 0.0493264800000000, -0.0002544700000000 ] - [ 0.0050923900000000, -0.0023120500000000, 0.0010804500000000 ] - [ 0.0051641600000000, 0.0011679800000000, 0.0011028800000000 ] - [ 0.0050246800000000, 0.0011750600000000, 0.0010593600000000 ] - [ 0.0057252100000000, 0.0105997600000000, -0.0393479600000000 ] - [ 0.0018586800000000, 0.0034567800000000, -0.0000438000000000 ] - [ -0.0019893600000000, 0.0106609800000000, 0.0388420900000000 ] - [ 0.0012585400000000, -0.0004032200000000, 0.0033172200000000 ] - [ 0.0018568600000000, 0.0006859200000000, -0.0000005000000000 ] - [ 0.0024596900000000, -0.0003973200000000, -0.0033481300000000 ] - [ -0.0017802600000000, -0.0020993800000000, 0.0001223500000000 ] - [ -0.0025337000000000, 0.0008664500000000, -0.0027270700000000 ] - [ -0.0011909100000000, 0.0008773500000000, 0.0027243500000000 ] - [ -0.0018569800000000, -0.0004309400000000, -0.0000276200000000 ] - [ -0.0017644800000000, 0.0002136400000000, -0.0000426700000000 ] - [ -0.0019484600000000, 0.0002163000000000, 0.0000166800000000 ] - [ -0.0060478300000000, -0.0010335300000000, -0.0017796800000000 ] - [ -0.0050988400000000, 0.0023211000000000, -0.0010835200000000 ] - [ -0.0041541500000000, -0.0009949800000000, -0.0003766800000000 ] - [ -0.0062114300000000, -0.0012791800000000, -0.0006569500000000 ] - [ -0.0050952700000000, 0.0024568500000000, -0.0010831300000000 ] - [ -0.0039671200000000, -0.0012412500000000, -0.0015162200000000 ] - [ 0.0064437700000000, -0.0012705200000000, 0.0010241700000000 ] - [ 0.0050999800000000, 0.0025851500000000, 0.0010825100000000 ] - [ 0.0037677300000000, -0.0012317800000000, 0.0011423900000000 ] - [ 0.0053424700000000, -0.0005059600000000, 0.0011675600000000 ] - [ 0.0050946800000000, 0.0009867900000000, 0.0010839200000000 ] - [ 0.0048461300000000, -0.0004937700000000, 0.0010000800000000 ] - [ 0.0018648000000000, -0.0003987800000000, 0.0000352500000000 ] - [ 0.0017959900000000, 0.0001872300000000, -0.0007528600000000 ] - [ 0.0019207600000000, 0.0001898600000000, 0.0007616800000000 ] - [ 0.0018585900000000, -0.0004147400000000, 0.0000041700000000 ] - [ 0.0018298000000000, 0.0002004800000000, 0.0007067200000000 ] - [ 0.0018868100000000, 0.0002032500000000, -0.0006926600000000 ] - [ -0.0009246600000000, -0.0002955000000000, -0.0028430600000000 ] - [ -0.0018551100000000, 0.0006796000000000, -0.0000122800000000 ] - [ -0.0027899900000000, -0.0002908000000000, 0.0028205300000000 ] - [ -0.0013999200000000, -0.0003323400000000, 0.0037126400000000 ] - [ -0.0018584200000000, 0.0007010100000000, 0.0000094000000000 ] - [ -0.0023186100000000, -0.0003291300000000, -0.0037023700000000 ] - [ -0.0050879100000000, -0.0023334300000000, -0.0010828800000000 ] - [ -0.0050261600000000, 0.0011630000000000, -0.0012373200000000 ] - [ -0.0051561400000000, 0.0011688000000000, -0.0009304400000000 ] - [ -0.0051043100000000, -0.0081993000000000, -0.0010872700000000 ] - [ -0.0046941600000000, 0.0050898000000000, -0.0003671400000000 ] - [ -0.0054982800000000, 0.0050991700000000, -0.0017977200000000 ]- atom: 97 displacement: [ -0.0030415166827246, 0.0000000000000000, 0.0095262362068504 ] forces: - [ -0.0058399000000000, -0.0036980600000000, 0.0087247500000000 ] - [ -0.0022089500000000, 0.0000000000000000, 0.0015368500000000 ] - [ -0.0058399000000000, 0.0036980600000000, 0.0087247500000000 ] - [ -0.0015059100000000, -0.0000000300000000, -0.0021937600000000 ] - [ -0.0016121400000000, 0.0000000000000000, -0.0010151300000000 ] - [ -0.0015059100000000, 0.0000000300000000, -0.0021937600000000 ] - [ -0.0016343700000000, 0.0005401100000000, -0.0163337200000000 ] - [ -0.0014435700000000, 0.0000000000000000, -0.0085784100000000 ] - [ -0.0016343700000000, -0.0005401100000000, -0.0163337200000000 ] - [ -0.0008299700000000, -0.0013535500000000, -0.0096216200000000 ] - [ -0.0024658300000000, 0.0000000000000000, -0.0091438700000000 ] - [ -0.0008299700000000, 0.0013535500000000, -0.0096216200000000 ] - [ 0.0082433200000000, 0.0000000000000000, 0.0132751200000000 ] - [ 0.0008541400000000, -0.0014751300000000, 0.0095886800000000 ] - [ 0.0008541400000000, 0.0014751300000000, 0.0095886800000000 ] - [ 0.0020899700000000, 0.0000000000000000, 0.0061535300000000 ] - [ 0.0018633800000000, 0.0000531500000000, 0.0071055900000000 ] - [ 0.0018633800000000, -0.0000531500000000, 0.0071055900000000 ] - [ 0.0000272500000000, 0.0000000000000000, -0.0013094400000000 ] - [ 0.0008765300000000, 0.0004408000000000, 0.0005588100000000 ] - [ 0.0008765300000000, -0.0004408000000000, 0.0005588100000000 ] - [ 0.0035506600000000, 0.0000000000000000, -0.0015789000000000 ] - [ 0.0027599500000000, -0.0005853600000000, -0.0006326700000000 ] - [ 0.0027599500000000, 0.0005853600000000, -0.0006326700000000 ] - [ 0.0017029900000000, 0.0000000000000000, 0.0016427700000000 ] - [ -0.0009951100000000, -0.0002735300000000, 0.0004639300000000 ] - [ -0.0009951100000000, 0.0002735300000000, 0.0004639300000000 ] - [ -0.0021602300000000, 0.0000000000000000, -0.0008143600000000 ] - [ -0.0020625600000000, -0.0000137900000000, -0.0004519100000000 ] - [ -0.0020625600000000, 0.0000137900000000, -0.0004519100000000 ] - [ -0.0023029600000000, 0.0000000000000000, -0.0073707100000000 ] - [ -0.0019201400000000, 0.0000654700000000, -0.0080909400000000 ] - [ -0.0019201400000000, -0.0000654700000000, -0.0080909400000000 ] - [ -0.0011595900000000, 0.0000000000000000, -0.0084588400000000 ] - [ -0.0016777100000000, -0.0001146500000000, -0.0083539300000000 ] - [ -0.0016777100000000, 0.0001146500000000, -0.0083539300000000 ] - [ 0.0044647000000000, 0.0000828200000000, 0.0089407500000000 ] - [ 0.0024914000000000, 0.0000000000000000, 0.0087850500000000 ] - [ 0.0044647000000000, -0.0000828200000000, 0.0089407500000000 ] - [ 0.0019681100000000, -0.0000119300000000, 0.0074829700000000 ] - [ 0.0019211300000000, 0.0000000000000000, 0.0080069300000000 ] - [ 0.0019681100000000, 0.0000119300000000, 0.0074829700000000 ] - [ 0.0030016300000000, 0.0001391900000000, -0.0002089600000000 ] - [ 0.0021944400000000, 0.0000000000000000, 0.0000487200000000 ] - [ 0.0030016300000000, -0.0001391900000000, -0.0002089600000000 ] - [ -0.0018607200000000, -0.0005549700000000, 0.0002959600000000 ] - [ 0.0014624300000000, 0.0000000000000000, 0.0001483600000000 ] - [ -0.0018607200000000, 0.0005549700000000, 0.0002959600000000 ] - [ -0.0029242800000000, -0.0000410700000000, 0.0032929100000000 ] - [ -0.0019194500000000, 0.0000000000000000, 0.0026448200000000 ] - [ -0.0029242800000000, 0.0000410700000000, 0.0032929100000000 ] - [ -0.0001885000000000, 0.0054869100000000, 0.0065363500000000 ] - [ -0.0008640100000000, 0.0000000000000000, 0.0020744600000000 ] - [ -0.0001885000000000, -0.0054869100000000, 0.0065363500000000 ] - [ -0.0137742400000000, 0.0086229700000000, -0.0031664100000000 ] - [ -0.0091693700000000, 0.0000000000000000, -0.0019085900000000 ] - [ -0.0137742400000000, -0.0086229700000000, -0.0031664100000000 ] - [ -0.0107224000000000, -0.0001289500000000, -0.0009540200000000 ] - [ -0.0107359800000000, 0.0000000000000000, -0.0014199700000000 ] - [ -0.0107224000000000, 0.0001289500000000, -0.0009540200000000 ] - [ 0.0114777400000000, 0.0000000000000000, 0.0035876200000000 ] - [ 0.0112316000000000, -0.0010998500000000, 0.0027220400000000 ] - [ 0.0112316000000000, 0.0010998500000000, 0.0027220400000000 ] - [ 0.0071262700000000, 0.0000000000000000, 0.0046916000000000 ] - [ 0.0098971600000000, 0.0011092700000000, 0.0015768400000000 ] - [ 0.0098971600000000, -0.0011092700000000, 0.0015768400000000 ] - [ -0.0061796700000000, 0.0000000000000000, -0.0006459600000000 ] - [ 0.0007057000000000, 0.0001054300000000, -0.0025473800000000 ] - [ 0.0007057000000000, -0.0001054300000000, -0.0025473800000000 ] - [ 0.0018983900000000, 0.0000000000000000, -0.0020094400000000 ] - [ 0.0017796100000000, -0.0000243900000000, -0.0022442300000000 ] - [ 0.0017796100000000, 0.0000243900000000, -0.0022442300000000 ] - [ -0.0003413000000000, 0.0000000000000000, 0.0026560700000000 ] - [ -0.0011327400000000, -0.0000197700000000, 0.0024528000000000 ] - [ -0.0011327400000000, 0.0000197700000000, 0.0024528000000000 ] - [ -0.0032346100000000, 0.0000000000000000, 0.0028074600000000 ] - [ -0.0020029600000000, 0.0000219600000000, 0.0022912700000000 ] - [ -0.0020029600000000, -0.0000219600000000, 0.0022912700000000 ] - [ -0.0117804300000000, 0.0000000000000000, -0.0022216500000000 ] - [ -0.0111004900000000, -0.0002902000000000, -0.0021375000000000 ] - [ -0.0111004900000000, 0.0002902000000000, -0.0021375000000000 ] - [ -0.0104878600000000, 0.0000000000000000, -0.0016615200000000 ] - [ -0.0105306800000000, 0.0000258900000000, -0.0016978000000000 ] - [ -0.0105306800000000, -0.0000258900000000, -0.0016978000000000 ] - [ 0.0103408500000000, -0.0000123500000000, 0.0018930800000000 ] - [ 0.0105098100000000, 0.0000000000000000, 0.0018611900000000 ] - [ 0.0103408500000000, 0.0000123500000000, 0.0018930800000000 ] - [ 0.0109022600000000, 0.0002686700000000, 0.0012947300000000 ] - [ 0.0106314700000000, 0.0000000000000000, 0.0015588800000000 ] - [ 0.0109022600000000, -0.0002686700000000, 0.0012947300000000 ] - [ -0.0019998900000000, -0.0009436100000000, -0.0045574900000000 ] - [ 0.0007732900000000, 0.0000000000000000, -0.0028035800000000 ] - [ -0.0019998900000000, 0.0009436100000000, -0.0045574900000000 ] - [ 0.0012885600000000, 0.0000039300000000, -0.0019881400000000 ] - [ 0.0013935200000000, 0.0000000000000000, -0.0022342300000000 ] - [ 0.0012885600000000, -0.0000039300000000, -0.0019881400000000 ] - [ 0.0270540800000000, 0.0000000000000000, -0.0418406400000000 ] - [ 0.0062900600000000, -0.0050402500000000, 0.0026034200000000 ] - [ 0.0062900600000000, 0.0050402500000000, 0.0026034200000000 ] - [ 0.0049197400000000, 0.0000000000000000, 0.0014694000000000 ] - [ 0.0049593400000000, 0.0000021400000000, 0.0013432600000000 ] - [ 0.0049593400000000, -0.0000021400000000, 0.0013432600000000 ] - [ -0.0000470300000000, -0.0105185300000000, 0.0111294300000000 ] - [ 0.0018364000000000, 0.0000000000000000, -0.0002978100000000 ] - [ -0.0000470300000000, 0.0105185300000000, 0.0111294300000000 ] - [ 0.0018032400000000, -0.0000326800000000, 0.0022177000000000 ] - [ 0.0018439400000000, 0.0000000000000000, 0.0010200200000000 ] - [ 0.0018032400000000, 0.0000326800000000, 0.0022177000000000 ] - [ 0.0013835800000000, 0.0000000000000000, -0.0002156700000000 ] - [ -0.0016035100000000, -0.0000089500000000, -0.0013112600000000 ] - [ -0.0016035100000000, 0.0000089500000000, -0.0013112600000000 ] - [ -0.0021241000000000, 0.0000000000000000, 0.0022988100000000 ] - [ -0.0019888700000000, 0.0000430300000000, 0.0012346800000000 ] - [ -0.0019888700000000, -0.0000430300000000, 0.0012346800000000 ] - [ -0.0046393100000000, -0.0003783900000000, -0.0008860800000000 ] - [ -0.0049065900000000, 0.0000000000000000, -0.0010922000000000 ] - [ -0.0046393100000000, 0.0003783900000000, -0.0008860800000000 ] - [ -0.0056501600000000, 0.0007568500000000, -0.0007421500000000 ] - [ -0.0052063100000000, 0.0000000000000000, -0.0009478500000000 ] - [ -0.0056501600000000, -0.0007568500000000, -0.0007421500000000 ] - [ 0.0047047800000000, 0.0004659900000000, 0.0010143400000000 ] - [ 0.0048714000000000, 0.0000000000000000, 0.0010277500000000 ] - [ 0.0047047800000000, -0.0004659900000000, 0.0010143400000000 ] - [ 0.0051469900000000, -0.0000042100000000, 0.0011789300000000 ] - [ 0.0051185300000000, 0.0000000000000000, 0.0011377100000000 ] - [ 0.0051469900000000, 0.0000042100000000, 0.0011789300000000 ] - [ 0.0016859500000000, 0.0000000000000000, -0.0017490600000000 ] - [ 0.0018146900000000, 0.0000206800000000, -0.0005092200000000 ] - [ 0.0018146900000000, -0.0000206800000000, -0.0005092200000000 ] - [ 0.0018425900000000, 0.0000000000000000, 0.0007464900000000 ] - [ 0.0018617700000000, 0.0000162600000000, 0.0003991600000000 ] - [ 0.0018617700000000, -0.0000162600000000, 0.0003991600000000 ] - [ -0.0021062700000000, -0.0000410500000000, -0.0002229700000000 ] - [ -0.0019102100000000, 0.0000000000000000, -0.0002510800000000 ] - [ -0.0021062700000000, 0.0000410500000000, -0.0002229700000000 ] - [ -0.0016997200000000, -0.0000513900000000, 0.0008222800000000 ] - [ -0.0018309000000000, 0.0000000000000000, 0.0003131500000000 ] - [ -0.0016997200000000, 0.0000513900000000, 0.0008222800000000 ] - [ -0.0053174800000000, 0.0000000000000000, -0.0010478200000000 ] - [ -0.0052611000000000, -0.0001648600000000, -0.0010547200000000 ] - [ -0.0052611000000000, 0.0001648600000000, -0.0010547200000000 ] - [ -0.0048557100000000, 0.0000000000000000, -0.0009926200000000 ] - [ -0.0047330600000000, 0.0005641900000000, -0.0011994800000000 ] - [ -0.0047330600000000, -0.0005641900000000, -0.0011994800000000 ]- atom: 97 displacement: [ 0.0030415166827246, 0.0000000000000000, -0.0095262362068504 ] forces: - [ 0.0020186600000000, 0.0031118800000000, -0.0086944000000000 ] - [ -0.0014050000000000, 0.0000000000000000, -0.0016113300000000 ] - [ 0.0020186600000000, -0.0031118800000000, -0.0086944000000000 ] - [ -0.0021334900000000, -0.0000019800000000, 0.0021292600000000 ] - [ -0.0020302600000000, 0.0000000000000000, 0.0009545700000000 ] - [ -0.0021334900000000, 0.0000019800000000, 0.0021292600000000 ] - [ -0.0021537500000000, -0.0005422700000000, -0.0004048000000000 ] - [ -0.0023505800000000, 0.0000000000000000, -0.0082225900000000 ] - [ -0.0021537500000000, 0.0005422700000000, -0.0004048000000000 ] - [ -0.0029612200000000, 0.0013329900000000, -0.0071100900000000 ] - [ -0.0013259100000000, 0.0000000000000000, -0.0076182700000000 ] - [ -0.0029612200000000, -0.0013329900000000, -0.0071100900000000 ] - [ -0.0044176500000000, 0.0000000000000000, 0.0034408500000000 ] - [ 0.0029131300000000, 0.0014762200000000, 0.0071787300000000 ] - [ 0.0029131300000000, -0.0014762200000000, 0.0071787300000000 ] - [ 0.0016987700000000, 0.0000000000000000, 0.0106129500000000 ] - [ 0.0019293900000000, -0.0000534300000000, 0.0096800300000000 ] - [ 0.0019293900000000, 0.0000534300000000, 0.0096800300000000 ] - [ 0.0036139800000000, 0.0000000000000000, 0.0013804300000000 ] - [ 0.0027683900000000, -0.0004465400000000, -0.0005027500000000 ] - [ 0.0027683900000000, 0.0004465400000000, -0.0005027500000000 ] - [ 0.0001115700000000, 0.0000000000000000, 0.0016645600000000 ] - [ 0.0008794100000000, 0.0005799900000000, 0.0007076800000000 ] - [ 0.0008794100000000, -0.0005799900000000, 0.0007076800000000 ] - [ -0.0053156800000000, 0.0000000000000000, -0.0017050300000000 ] - [ -0.0026426600000000, 0.0002717100000000, -0.0005328800000000 ] - [ -0.0026426600000000, -0.0002717100000000, -0.0005328800000000 ] - [ -0.0014754200000000, 0.0000000000000000, 0.0007529200000000 ] - [ -0.0015750800000000, 0.0000127900000000, 0.0003886200000000 ] - [ -0.0015750800000000, -0.0000127900000000, 0.0003886200000000 ] - [ -0.0014862300000000, 0.0000000000000000, -0.0094076700000000 ] - [ -0.0018694600000000, -0.0000685900000000, -0.0086931900000000 ] - [ -0.0018694600000000, 0.0000685900000000, -0.0086931900000000 ] - [ -0.0026210600000000, 0.0000000000000000, -0.0083093800000000 ] - [ -0.0021111500000000, 0.0001132300000000, -0.0084147300000000 ] - [ -0.0021111500000000, -0.0001132300000000, -0.0084147300000000 ] - [ -0.0006381600000000, -0.0000848200000000, 0.0078306800000000 ] - [ 0.0013096000000000, 0.0000000000000000, 0.0079884400000000 ] - [ -0.0006381600000000, 0.0000848200000000, 0.0078306800000000 ] - [ 0.0018192300000000, 0.0000114400000000, 0.0092941300000000 ] - [ 0.0018705600000000, 0.0000000000000000, 0.0087749900000000 ] - [ 0.0018192300000000, -0.0000114400000000, 0.0092941300000000 ] - [ 0.0006293600000000, -0.0001418400000000, 0.0002669400000000 ] - [ 0.0014411600000000, 0.0000000000000000, 0.0000100900000000 ] - [ 0.0006293600000000, 0.0001418400000000, 0.0002669400000000 ] - [ 0.0054727300000000, 0.0005505700000000, -0.0002089600000000 ] - [ 0.0021824900000000, 0.0000000000000000, -0.0000668600000000 ] - [ 0.0054727300000000, -0.0005505700000000, -0.0002089600000000 ] - [ 0.0000546500000000, 0.0000410800000000, 0.0015107700000000 ] - [ -0.0009559500000000, 0.0000000000000000, 0.0021631400000000 ] - [ 0.0000546500000000, -0.0000410800000000, 0.0015107700000000 ] - [ -0.0026589500000000, -0.0054033600000000, -0.0016754900000000 ] - [ -0.0020219200000000, 0.0000000000000000, 0.0027199000000000 ] - [ -0.0026589500000000, 0.0054033600000000, -0.0016754900000000 ] - [ -0.0073646100000000, -0.0086540400000000, -0.0005229800000000 ] - [ -0.0120012100000000, 0.0000000000000000, -0.0017185100000000 ] - [ -0.0073646100000000, 0.0086540400000000, -0.0005229800000000 ] - [ -0.0104604800000000, 0.0001332600000000, -0.0026676200000000 ] - [ -0.0104477700000000, 0.0000000000000000, -0.0022007400000000 ] - [ -0.0104604800000000, -0.0001332600000000, -0.0026676200000000 ] - [ 0.0097086500000000, 0.0000000000000000, 0.0000660400000000 ] - [ 0.0099450500000000, 0.0011167000000000, 0.0008952900000000 ] - [ 0.0099450500000000, -0.0011167000000000, 0.0008952900000000 ] - [ 0.0139315900000000, 0.0000000000000000, -0.0009794800000000 ] - [ 0.0112907400000000, -0.0011052300000000, 0.0020296300000000 ] - [ 0.0112907400000000, 0.0011052300000000, 0.0020296300000000 ] - [ 0.0090374200000000, 0.0000000000000000, -0.0041179300000000 ] - [ 0.0021821100000000, -0.0001037700000000, -0.0022617400000000 ] - [ 0.0021821100000000, 0.0001037700000000, -0.0022617400000000 ] - [ 0.0009763400000000, 0.0000000000000000, -0.0027968300000000 ] - [ 0.0010972200000000, 0.0000247800000000, -0.0025590500000000 ] - [ 0.0010972200000000, -0.0000247800000000, -0.0025590500000000 ] - [ -0.0025429800000000, 0.0000000000000000, 0.0021507400000000 ] - [ -0.0017482000000000, 0.0000204800000000, 0.0023525700000000 ] - [ -0.0017482000000000, -0.0000204800000000, 0.0023525700000000 ] - [ 0.0003307600000000, 0.0000000000000000, 0.0019911200000000 ] - [ -0.0008817200000000, -0.0000221300000000, 0.0025110600000000 ] - [ -0.0008817200000000, 0.0000221300000000, 0.0025110600000000 ] - [ -0.0094115200000000, 0.0000000000000000, -0.0014090500000000 ] - [ -0.0100874000000000, 0.0002869700000000, -0.0014867000000000 ] - [ -0.0100874000000000, -0.0002869700000000, -0.0014867000000000 ] - [ -0.0106943500000000, 0.0000000000000000, -0.0019583600000000 ] - [ -0.0106541400000000, -0.0000228400000000, -0.0019225500000000 ] - [ -0.0106541400000000, 0.0000228400000000, -0.0019225500000000 ] - [ 0.0108439000000000, 0.0000143100000000, 0.0017265600000000 ] - [ 0.0106717400000000, 0.0000000000000000, 0.0017580400000000 ] - [ 0.0108439000000000, -0.0000143100000000, 0.0017265600000000 ] - [ 0.0102832500000000, -0.0002626500000000, 0.0023167000000000 ] - [ 0.0105527800000000, 0.0000000000000000, 0.0020556500000000 ] - [ 0.0102832500000000, 0.0002626500000000, 0.0023167000000000 ] - [ 0.0048121000000000, 0.0009232300000000, -0.0002595300000000 ] - [ 0.0020822000000000, 0.0000000000000000, -0.0020099100000000 ] - [ 0.0048121000000000, -0.0009232300000000, -0.0002595300000000 ] - [ 0.0015936400000000, -0.0000033600000000, -0.0028166900000000 ] - [ 0.0014901600000000, 0.0000000000000000, -0.0025700800000000 ] - [ 0.0015936400000000, 0.0000033600000000, -0.0028166900000000 ] - [ -0.0165586500000000, 0.0000000000000000, 0.0439525200000000 ] - [ 0.0039496900000000, 0.0049013200000000, -0.0004535100000000 ] - [ 0.0039496900000000, -0.0049013200000000, -0.0004535100000000 ] - [ 0.0052695500000000, 0.0000000000000000, 0.0006970600000000 ] - [ 0.0052292000000000, 0.0000002700000000, 0.0008221400000000 ] - [ 0.0052292000000000, -0.0000002700000000, 0.0008221400000000 ] - [ 0.0037822300000000, 0.0106981400000000, -0.0112600200000000 ] - [ 0.0018739400000000, 0.0000000000000000, 0.0003363000000000 ] - [ 0.0037822300000000, -0.0106981400000000, -0.0112600200000000 ] - [ 0.0019089600000000, 0.0000336200000000, -0.0022137000000000 ] - [ 0.0018692600000000, 0.0000000000000000, -0.0010237900000000 ] - [ 0.0019089600000000, -0.0000336200000000, -0.0022137000000000 ] - [ -0.0051153200000000, 0.0000000000000000, 0.0001914200000000 ] - [ -0.0021082000000000, 0.0000090100000000, 0.0013178200000000 ] - [ -0.0021082000000000, -0.0000090100000000, 0.0013178200000000 ] - [ -0.0015897100000000, 0.0000000000000000, -0.0023008000000000 ] - [ -0.0017233700000000, -0.0000423200000000, -0.0012494600000000 ] - [ -0.0017233700000000, 0.0000423200000000, -0.0012494600000000 ] - [ -0.0055532800000000, 0.0003831500000000, -0.0012807600000000 ] - [ -0.0052834100000000, 0.0000000000000000, -0.0010734800000000 ] - [ -0.0055532800000000, -0.0003831500000000, -0.0012807600000000 ] - [ -0.0045393200000000, -0.0007446800000000, -0.0014257900000000 ] - [ -0.0049821400000000, 0.0000000000000000, -0.0012196000000000 ] - [ -0.0045393200000000, 0.0007446800000000, -0.0014257900000000 ] - [ 0.0054817500000000, -0.0004614900000000, 0.0011526600000000 ] - [ 0.0053182000000000, 0.0000000000000000, 0.0011381600000000 ] - [ 0.0054817500000000, 0.0004614900000000, 0.0011526600000000 ] - [ 0.0050421900000000, 0.0000044900000000, 0.0009865800000000 ] - [ 0.0050692600000000, 0.0000000000000000, 0.0010285300000000 ] - [ 0.0050421900000000, -0.0000044900000000, 0.0009865800000000 ] - [ 0.0020257600000000, 0.0000000000000000, 0.0017582400000000 ] - [ 0.0018962800000000, -0.0000193800000000, 0.0005225700000000 ] - [ 0.0018962800000000, 0.0000193800000000, 0.0005225700000000 ] - [ 0.0018676200000000, 0.0000000000000000, -0.0007403100000000 ] - [ 0.0018508100000000, -0.0000165200000000, -0.0003976200000000 ] - [ 0.0018508100000000, 0.0000165200000000, -0.0003976200000000 ] - [ -0.0016067300000000, 0.0000424600000000, 0.0002278200000000 ] - [ -0.0018020600000000, 0.0000000000000000, 0.0002528900000000 ] - [ -0.0016067300000000, -0.0000424600000000, 0.0002278200000000 ] - [ -0.0020107400000000, 0.0000500900000000, -0.0008304600000000 ] - [ -0.0018818500000000, 0.0000000000000000, -0.0003269900000000 ] - [ -0.0020107400000000, -0.0000500900000000, -0.0008304600000000 ] - [ -0.0048715800000000, 0.0000000000000000, -0.0011181800000000 ] - [ -0.0049264100000000, 0.0001668800000000, -0.0011104000000000 ] - [ -0.0049264100000000, -0.0001668800000000, -0.0011104000000000 ] - [ -0.0053400000000000, 0.0000000000000000, -0.0011761900000000 ] - [ -0.0054531300000000, -0.0005533000000000, -0.0009714500000000 ] - [ -0.0054531300000000, 0.0005533000000000, -0.0009714500000000 ]- atom: 103 displacement: [ 0.0099999556214383, 0.0000000000000000, -0.0000297921007044 ] forces: - [ 0.0111290300000000, 0.0000000000000000, -0.0113136100000000 ] - [ -0.0005537600000000, 0.0016084600000000, -0.0004552700000000 ] - [ -0.0005537600000000, -0.0016084600000000, -0.0004552700000000 ] - [ -0.0028299800000000, 0.0000000000000000, 0.0035095000000000 ] - [ -0.0017632900000000, -0.0004714200000000, 0.0003657200000000 ] - [ -0.0017632900000000, 0.0004714200000000, 0.0003657200000000 ] - [ 0.0092365000000000, 0.0000000000000000, -0.0041971400000000 ] - [ -0.0010206500000000, 0.0001047500000000, -0.0083316400000000 ] - [ -0.0010206500000000, -0.0001047500000000, -0.0083316400000000 ] - [ -0.0024973500000000, 0.0000000000000000, -0.0057694200000000 ] - [ -0.0018962600000000, 0.0001231500000000, -0.0077577900000000 ] - [ -0.0018962600000000, -0.0001231500000000, -0.0077577900000000 ] - [ 0.0002196400000000, -0.0025619900000000, 0.0100968100000000 ] - [ 0.0002196400000000, 0.0025619900000000, 0.0100968100000000 ] - [ 0.0014486300000000, 0.0000000000000000, 0.0084635300000000 ] - [ 0.0031846200000000, 0.0020834300000000, 0.0082361600000000 ] - [ 0.0031846200000000, -0.0020834300000000, 0.0082361600000000 ] - [ 0.0020142000000000, 0.0000000000000000, 0.0084133100000000 ] - [ 0.0006528900000000, -0.0038318700000000, -0.0025445400000000 ] - [ 0.0006528900000000, 0.0038318700000000, -0.0025445400000000 ] - [ 0.0016018800000000, 0.0000000000000000, -0.0003164400000000 ] - [ 0.0013378500000000, 0.0000684000000000, 0.0009521700000000 ] - [ 0.0013378500000000, -0.0000684000000000, 0.0009521700000000 ] - [ 0.0015813400000000, 0.0000000000000000, 0.0001888500000000 ] - [ -0.0030177400000000, 0.0002314400000000, -0.0001748000000000 ] - [ -0.0030177400000000, -0.0002314400000000, -0.0001748000000000 ] - [ -0.0022448400000000, 0.0000000000000000, -0.0001366800000000 ] - [ -0.0020350600000000, 0.0000555500000000, -0.0004297700000000 ] - [ -0.0020350600000000, -0.0000555500000000, -0.0004297700000000 ] - [ -0.0019810800000000, 0.0000000000000000, -0.0001251000000000 ] - [ -0.0030973500000000, 0.0005214700000000, -0.0084616100000000 ] - [ -0.0030973500000000, -0.0005214700000000, -0.0084616100000000 ] - [ -0.0022803400000000, 0.0000000000000000, -0.0084946800000000 ] - [ -0.0021524600000000, 0.0006276000000000, -0.0087051000000000 ] - [ -0.0021524600000000, -0.0006276000000000, -0.0087051000000000 ] - [ -0.0020370500000000, 0.0000000000000000, -0.0084302500000000 ] - [ -0.0026037800000000, 0.0000000000000000, 0.0072622700000000 ] - [ 0.0021368400000000, -0.0004768500000000, 0.0080244900000000 ] - [ 0.0021368400000000, 0.0004768500000000, 0.0080244900000000 ] - [ 0.0008073700000000, 0.0000000000000000, 0.0087448700000000 ] - [ 0.0017795400000000, -0.0001333700000000, 0.0084795400000000 ] - [ 0.0017795400000000, 0.0001333700000000, 0.0084795400000000 ] - [ -0.0030923500000000, 0.0000000000000000, 0.0010969900000000 ] - [ 0.0017309000000000, -0.0007548500000000, 0.0001523600000000 ] - [ 0.0017309000000000, 0.0007548500000000, 0.0001523600000000 ] - [ 0.0035057600000000, 0.0000000000000000, -0.0012616300000000 ] - [ 0.0023048100000000, -0.0002878800000000, 0.0001945700000000 ] - [ 0.0023048100000000, 0.0002878800000000, 0.0001945700000000 ] - [ 0.0025353000000000, 0.0000000000000000, -0.0073535100000000 ] - [ -0.0018143600000000, 0.0001804200000000, 0.0023043200000000 ] - [ -0.0018143600000000, -0.0001804200000000, 0.0023043200000000 ] - [ -0.0029381500000000, 0.0000000000000000, 0.0003639600000000 ] - [ -0.0018206300000000, -0.0001618100000000, 0.0020704000000000 ] - [ -0.0018206300000000, 0.0001618100000000, 0.0020704000000000 ] - [ -0.0064764700000000, 0.0000000000000000, -0.0042618200000000 ] - [ -0.0108064600000000, -0.0006398600000000, -0.0020408800000000 ] - [ -0.0108064600000000, 0.0006398600000000, -0.0020408800000000 ] - [ -0.0109722700000000, 0.0000000000000000, -0.0063573400000000 ] - [ -0.0106493500000000, 0.0000814700000000, -0.0016157200000000 ] - [ -0.0106493500000000, -0.0000814700000000, -0.0016157200000000 ] - [ 0.0087339800000000, 0.0007347100000000, 0.0038968500000000 ] - [ 0.0087339800000000, -0.0007347100000000, 0.0038968500000000 ] - [ 0.0104296500000000, 0.0000000000000000, 0.0018417200000000 ] - [ 0.0107789500000000, 0.0002486100000000, 0.0011959200000000 ] - [ 0.0107789500000000, -0.0002486100000000, 0.0011959200000000 ] - [ 0.0107181400000000, 0.0000000000000000, 0.0016282900000000 ] - [ 0.0027152200000000, 0.0000280100000000, -0.0027164100000000 ] - [ 0.0027152200000000, -0.0000280100000000, -0.0027164100000000 ] - [ 0.0019242300000000, 0.0000000000000000, -0.0024697800000000 ] - [ 0.0010770900000000, 0.0002163300000000, -0.0018582900000000 ] - [ 0.0010770900000000, -0.0002163300000000, -0.0018582900000000 ] - [ 0.0014756000000000, 0.0000000000000000, -0.0022737700000000 ] - [ -0.0000844400000000, 0.0000653400000000, 0.0026645700000000 ] - [ -0.0000844400000000, -0.0000653400000000, 0.0026645700000000 ] - [ -0.0010565700000000, 0.0000000000000000, 0.0024837800000000 ] - [ -0.0010038200000000, -0.0000416100000000, 0.0023407800000000 ] - [ -0.0010038200000000, 0.0000416100000000, 0.0023407800000000 ] - [ -0.0012200800000000, 0.0000000000000000, 0.0023885500000000 ] - [ -0.0101430700000000, -0.0007037200000000, -0.0015715500000000 ] - [ -0.0101430700000000, 0.0007037200000000, -0.0015715500000000 ] - [ -0.0104507800000000, 0.0000000000000000, -0.0017646900000000 ] - [ -0.0104082200000000, -0.0002586500000000, -0.0017396300000000 ] - [ -0.0104082200000000, 0.0002586500000000, -0.0017396300000000 ] - [ -0.0104804200000000, 0.0000000000000000, -0.0017788800000000 ] - [ 0.0120590200000000, 0.0000000000000000, 0.0018675200000000 ] - [ 0.0107311700000000, 0.0000932200000000, 0.0018299200000000 ] - [ 0.0107311700000000, -0.0000932200000000, 0.0018299200000000 ] - [ 0.0111518700000000, 0.0000000000000000, 0.0029303300000000 ] - [ 0.0104623700000000, 0.0002088800000000, 0.0018627000000000 ] - [ 0.0104623700000000, -0.0002088800000000, 0.0018627000000000 ] - [ 0.0042424900000000, 0.0000000000000000, 0.0059043100000000 ] - [ 0.0006694300000000, 0.0000720700000000, -0.0023910500000000 ] - [ 0.0006694300000000, -0.0000720700000000, -0.0023910500000000 ] - [ 0.0029414800000000, 0.0000000000000000, -0.0033653600000000 ] - [ 0.0014731000000000, 0.0000499200000000, -0.0025054900000000 ] - [ 0.0014731000000000, -0.0000499200000000, -0.0025054900000000 ] - [ 0.0030809800000000, 0.0039933200000000, -0.0016116900000000 ] - [ 0.0030809800000000, -0.0039933200000000, -0.0016116900000000 ] - [ 0.0050570400000000, 0.0000000000000000, 0.0010531300000000 ] - [ 0.0049574200000000, -0.0006095600000000, 0.0009766800000000 ] - [ 0.0049574200000000, 0.0006095600000000, 0.0009766800000000 ] - [ 0.0049882100000000, 0.0000000000000000, 0.0010326400000000 ] - [ -0.0250649800000000, 0.0000000000000000, 0.0123999200000000 ] - [ 0.0015871800000000, 0.0000497600000000, 0.0006555400000000 ] - [ 0.0015871800000000, -0.0000497600000000, 0.0006555400000000 ] - [ 0.0025142900000000, 0.0000000000000000, -0.0017731900000000 ] - [ 0.0018858200000000, 0.0000295600000000, -0.0005779900000000 ] - [ 0.0018858200000000, -0.0000295600000000, -0.0005779900000000 ] - [ -0.0010064900000000, 0.0009792600000000, 0.0000626100000000 ] - [ -0.0010064900000000, -0.0009792600000000, 0.0000626100000000 ] - [ -0.0018255100000000, 0.0000000000000000, 0.0001213700000000 ] - [ -0.0019965100000000, -0.0002400200000000, -0.0008006800000000 ] - [ -0.0019965100000000, 0.0002400200000000, -0.0008006800000000 ] - [ -0.0018498100000000, 0.0000000000000000, -0.0000798900000000 ] - [ 0.0000320600000000, 0.0000000000000000, 0.0039326000000000 ] - [ -0.0053635500000000, -0.0006602300000000, -0.0009022300000000 ] - [ -0.0053635500000000, 0.0006602300000000, -0.0009022300000000 ] - [ -0.0049337700000000, 0.0000000000000000, -0.0013191500000000 ] - [ -0.0049771000000000, 0.0000898200000000, -0.0011879500000000 ] - [ -0.0049771000000000, -0.0000898200000000, -0.0011879500000000 ] - [ 0.0056801700000000, 0.0000000000000000, 0.0010960200000000 ] - [ 0.0052438300000000, 0.0000621700000000, 0.0010896700000000 ] - [ 0.0052438300000000, -0.0000621700000000, 0.0010896700000000 ] - [ 0.0052632500000000, 0.0000000000000000, 0.0011203500000000 ] - [ 0.0051459900000000, 0.0000305200000000, 0.0011038100000000 ] - [ 0.0051459900000000, -0.0000305200000000, 0.0011038100000000 ] - [ 0.0020185600000000, -0.0000546600000000, 0.0001564500000000 ] - [ 0.0020185600000000, 0.0000546600000000, 0.0001564500000000 ] - [ 0.0019099800000000, 0.0000000000000000, 0.0001319800000000 ] - [ 0.0018629400000000, -0.0000589700000000, 0.0003087900000000 ] - [ 0.0018629400000000, 0.0000589700000000, 0.0003087900000000 ] - [ 0.0018689100000000, 0.0000000000000000, 0.0000621000000000 ] - [ -0.0008851000000000, 0.0000000000000000, -0.0001559200000000 ] - [ -0.0018172400000000, 0.0001599100000000, 0.0002159100000000 ] - [ -0.0018172400000000, -0.0001599100000000, 0.0002159100000000 ] - [ -0.0017486800000000, 0.0000000000000000, -0.0000529600000000 ] - [ -0.0018702000000000, 0.0000473200000000, -0.0001402200000000 ] - [ -0.0018702000000000, -0.0000473200000000, -0.0001402200000000 ] - [ -0.0045935300000000, -0.0009483700000000, -0.0011868100000000 ] - [ -0.0045935300000000, 0.0009483700000000, -0.0011868100000000 ] - [ -0.0049431800000000, 0.0000000000000000, -0.0010910300000000 ] - [ -0.0051629100000000, -0.0004449900000000, -0.0009419500000000 ] - [ -0.0051629100000000, 0.0004449900000000, -0.0009419500000000 ] - [ -0.0051371300000000, 0.0000000000000000, -0.0010709200000000 ]- atom: 103 displacement: [ -0.0099999556214383, 0.0000000000000000, 0.0000297921007044 ] forces: - [ -0.0146751000000000, 0.0000000000000000, 0.0101978400000000 ] - [ -0.0030716000000000, -0.0015944500000000, 0.0003842200000000 ] - [ -0.0030716000000000, 0.0015944500000000, 0.0003842200000000 ] - [ -0.0007270300000000, 0.0000000000000000, -0.0034964500000000 ] - [ -0.0018611100000000, 0.0004741400000000, -0.0004319500000000 ] - [ -0.0018611100000000, -0.0004741400000000, -0.0004319500000000 ] - [ -0.0131578800000000, 0.0000000000000000, -0.0115979000000000 ] - [ -0.0027603800000000, -0.0001015300000000, -0.0084336600000000 ] - [ -0.0027603800000000, 0.0001015300000000, -0.0084336600000000 ] - [ -0.0014063000000000, 0.0000000000000000, -0.0110089800000000 ] - [ -0.0018899600000000, -0.0001179900000000, -0.0090137300000000 ] - [ -0.0018899600000000, 0.0001179900000000, -0.0090137300000000 ] - [ 0.0035679800000000, 0.0025761000000000, 0.0066525000000000 ] - [ 0.0035679800000000, -0.0025761000000000, 0.0066525000000000 ] - [ 0.0023397600000000, 0.0000000000000000, 0.0083007600000000 ] - [ 0.0005820500000000, -0.0021589700000000, 0.0085298500000000 ] - [ 0.0005820500000000, 0.0021589700000000, 0.0085298500000000 ] - [ 0.0017674900000000, 0.0000000000000000, 0.0083559300000000 ] - [ 0.0029736000000000, 0.0038743800000000, 0.0026381500000000 ] - [ 0.0029736000000000, -0.0038743800000000, 0.0026381500000000 ] - [ 0.0020284200000000, 0.0000000000000000, 0.0003862100000000 ] - [ 0.0022880100000000, -0.0000758700000000, -0.0009053800000000 ] - [ 0.0022880100000000, 0.0000758700000000, -0.0009053800000000 ] - [ 0.0020473800000000, 0.0000000000000000, -0.0001232200000000 ] - [ -0.0006213800000000, -0.0002283700000000, 0.0000987200000000 ] - [ -0.0006213800000000, 0.0002283700000000, 0.0000987200000000 ] - [ -0.0013906700000000, 0.0000000000000000, 0.0000666400000000 ] - [ -0.0016066600000000, -0.0000554900000000, 0.0003649100000000 ] - [ -0.0016066600000000, 0.0000554900000000, 0.0003649100000000 ] - [ -0.0016550100000000, 0.0000000000000000, 0.0000558600000000 ] - [ -0.0006928600000000, -0.0005103900000000, -0.0083039300000000 ] - [ -0.0006928600000000, 0.0005103900000000, -0.0083039300000000 ] - [ -0.0015109000000000, 0.0000000000000000, -0.0082721100000000 ] - [ -0.0016373700000000, -0.0006248700000000, -0.0080699800000000 ] - [ -0.0016373700000000, 0.0006248700000000, -0.0080699800000000 ] - [ -0.0017528600000000, 0.0000000000000000, -0.0083402300000000 ] - [ 0.0063613400000000, 0.0000000000000000, 0.0095165000000000 ] - [ 0.0016539800000000, 0.0004709700000000, 0.0087390200000000 ] - [ 0.0016539800000000, -0.0004709700000000, 0.0087390200000000 ] - [ 0.0029832000000000, 0.0000000000000000, 0.0080511100000000 ] - [ 0.0020109100000000, 0.0001327800000000, 0.0082930400000000 ] - [ 0.0020109100000000, -0.0001327800000000, 0.0082930400000000 ] - [ 0.0066619800000000, 0.0000000000000000, -0.0010374500000000 ] - [ 0.0019096700000000, 0.0007446900000000, -0.0000772900000000 ] - [ 0.0019096700000000, -0.0007446900000000, -0.0000772900000000 ] - [ 0.0002432700000000, 0.0000000000000000, 0.0013178400000000 ] - [ 0.0013322200000000, 0.0002914400000000, -0.0001263800000000 ] - [ 0.0013322200000000, -0.0002914400000000, -0.0001263800000000 ] - [ -0.0053249400000000, 0.0000000000000000, 0.0120100700000000 ] - [ -0.0010760300000000, -0.0001794900000000, 0.0024955600000000 ] - [ -0.0010760300000000, 0.0001794900000000, 0.0024955600000000 ] - [ 0.0000878900000000, 0.0000000000000000, 0.0042216500000000 ] - [ -0.0010645600000000, 0.0001605500000000, 0.0027313000000000 ] - [ -0.0010645600000000, -0.0001605500000000, 0.0027313000000000 ] - [ -0.0147294900000000, 0.0000000000000000, 0.0007054500000000 ] - [ -0.0103723700000000, 0.0006393100000000, -0.0015761000000000 ] - [ -0.0103723700000000, -0.0006393100000000, -0.0015761000000000 ] - [ -0.0101670600000000, 0.0000000000000000, 0.0029375700000000 ] - [ -0.0105397000000000, -0.0000925800000000, -0.0020049500000000 ] - [ -0.0105397000000000, 0.0000925800000000, -0.0020049500000000 ] - [ 0.0124726000000000, -0.0007081300000000, -0.0002790800000000 ] - [ 0.0124726000000000, 0.0007081300000000, -0.0002790800000000 ] - [ 0.0107555900000000, 0.0000000000000000, 0.0017767800000000 ] - [ 0.0104083200000000, -0.0002427600000000, 0.0024322700000000 ] - [ 0.0104083200000000, 0.0002427600000000, 0.0024322700000000 ] - [ 0.0104678200000000, 0.0000000000000000, 0.0019943600000000 ] - [ 0.0001682500000000, -0.0000262800000000, -0.0020768000000000 ] - [ 0.0001682500000000, 0.0000262800000000, -0.0020768000000000 ] - [ 0.0009559700000000, 0.0000000000000000, -0.0023300200000000 ] - [ 0.0018197600000000, -0.0002186100000000, -0.0029515800000000 ] - [ 0.0018197600000000, 0.0002186100000000, -0.0029515800000000 ] - [ 0.0014114700000000, 0.0000000000000000, -0.0025265300000000 ] - [ -0.0027956800000000, -0.0000682000000000, 0.0021334000000000 ] - [ -0.0027956800000000, 0.0000682000000000, 0.0021334000000000 ] - [ -0.0018192300000000, 0.0000000000000000, 0.0023168800000000 ] - [ -0.0018681800000000, 0.0000417800000000, 0.0024654200000000 ] - [ -0.0018681800000000, -0.0000417800000000, 0.0024654200000000 ] - [ -0.0016568500000000, 0.0000000000000000, 0.0024143100000000 ] - [ -0.0110357400000000, 0.0006942500000000, -0.0020420100000000 ] - [ -0.0110357400000000, -0.0006942500000000, -0.0020420100000000 ] - [ -0.0107292500000000, 0.0000000000000000, -0.0018529000000000 ] - [ -0.0107722700000000, 0.0002562400000000, -0.0018835700000000 ] - [ -0.0107722700000000, -0.0002562400000000, -0.0018835700000000 ] - [ -0.0107030400000000, 0.0000000000000000, -0.0018434700000000 ] - [ 0.0091505300000000, 0.0000000000000000, 0.0017486400000000 ] - [ 0.0104493400000000, -0.0000904600000000, 0.0017866200000000 ] - [ 0.0104493400000000, 0.0000904600000000, 0.0017866200000000 ] - [ 0.0100223700000000, 0.0000000000000000, 0.0007067400000000 ] - [ 0.0107205100000000, -0.0002071400000000, 0.0017586600000000 ] - [ 0.0107205100000000, 0.0002071400000000, 0.0017586600000000 ] - [ -0.0012750100000000, 0.0000000000000000, -0.0106326900000000 ] - [ 0.0022076000000000, -0.0000708900000000, -0.0024082100000000 ] - [ 0.0022076000000000, 0.0000708900000000, -0.0024082100000000 ] - [ -0.0000636900000000, 0.0000000000000000, -0.0014610800000000 ] - [ 0.0014047200000000, -0.0000499700000000, -0.0022989300000000 ] - [ 0.0014047200000000, 0.0000499700000000, -0.0022989300000000 ] - [ 0.0071315100000000, -0.0039540600000000, 0.0037704100000000 ] - [ 0.0071315100000000, 0.0039540600000000, 0.0037704100000000 ] - [ 0.0051326400000000, 0.0000000000000000, 0.0011144800000000 ] - [ 0.0052227000000000, 0.0006114600000000, 0.0011859900000000 ] - [ 0.0052227000000000, -0.0006114600000000, 0.0011859900000000 ] - [ 0.0051995500000000, 0.0000000000000000, 0.0011330700000000 ] - [ 0.0286073400000000, 0.0000000000000000, -0.0122361600000000 ] - [ 0.0021269600000000, -0.0000519200000000, -0.0006477500000000 ] - [ 0.0021269600000000, 0.0000519200000000, -0.0006477500000000 ] - [ 0.0012074900000000, 0.0000000000000000, 0.0017349200000000 ] - [ 0.0018303200000000, -0.0000300900000000, 0.0005833700000000 ] - [ 0.0018303200000000, 0.0000300900000000, 0.0005833700000000 ] - [ -0.0027202500000000, -0.0009907900000000, -0.0000623000000000 ] - [ -0.0027202500000000, 0.0009907900000000, -0.0000623000000000 ] - [ -0.0018899700000000, 0.0000000000000000, -0.0001292800000000 ] - [ -0.0017165600000000, 0.0002518500000000, 0.0008170200000000 ] - [ -0.0017165600000000, -0.0002518500000000, 0.0008170200000000 ] - [ -0.0018654200000000, 0.0000000000000000, 0.0000740100000000 ] - [ -0.0103117200000000, 0.0000000000000000, -0.0061937600000000 ] - [ -0.0048170300000000, 0.0006661700000000, -0.0012657700000000 ] - [ -0.0048170300000000, -0.0006661700000000, -0.0012657700000000 ] - [ -0.0052471600000000, 0.0000000000000000, -0.0008438700000000 ] - [ -0.0052112000000000, -0.0000942900000000, -0.0009762800000000 ] - [ -0.0052112000000000, 0.0000942900000000, -0.0009762800000000 ] - [ 0.0045133700000000, 0.0000000000000000, 0.0010692600000000 ] - [ 0.0049452300000000, -0.0000586800000000, 0.0010767000000000 ] - [ 0.0049452300000000, 0.0000586800000000, 0.0010767000000000 ] - [ 0.0049251400000000, 0.0000000000000000, 0.0010431600000000 ] - [ 0.0050431500000000, -0.0000305100000000, 0.0010619100000000 ] - [ 0.0050431500000000, 0.0000305100000000, 0.0010619100000000 ] - [ 0.0016985800000000, 0.0000529000000000, -0.0001465600000000 ] - [ 0.0016985800000000, -0.0000529000000000, -0.0001465600000000 ] - [ 0.0018053800000000, 0.0000000000000000, -0.0001226700000000 ] - [ 0.0018527600000000, 0.0000595000000000, -0.0002996000000000 ] - [ 0.0018527600000000, -0.0000595000000000, -0.0002996000000000 ] - [ 0.0018477500000000, 0.0000000000000000, -0.0000537600000000 ] - [ -0.0028484600000000, 0.0000000000000000, 0.0001444800000000 ] - [ -0.0018974300000000, -0.0001570900000000, -0.0002220300000000 ] - [ -0.0018974300000000, 0.0001570900000000, -0.0002220300000000 ] - [ -0.0019776600000000, 0.0000000000000000, 0.0000273200000000 ] - [ -0.0018458700000000, -0.0000479000000000, 0.0001324400000000 ] - [ -0.0018458700000000, 0.0000479000000000, 0.0001324400000000 ] - [ -0.0055899900000000, 0.0009347800000000, -0.0009821000000000 ] - [ -0.0055899900000000, -0.0009347800000000, -0.0009821000000000 ] - [ -0.0052429500000000, 0.0000000000000000, -0.0010747400000000 ] - [ -0.0050289300000000, 0.0004511800000000, -0.0012203900000000 ] - [ -0.0050289300000000, -0.0004511800000000, -0.0012203900000000 ] - [ -0.0050507400000000, 0.0000000000000000, -0.0010948800000000 ]- atom: 103 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017740900000000, 0.0079330600000000, -0.0006468500000000 ] - [ -0.0029086600000000, -0.0083072200000000, -0.0009291000000000 ] - [ -0.0007452200000000, -0.0082302900000000, 0.0008563300000000 ] - [ -0.0017904600000000, 0.0004549300000000, -0.0000191500000000 ] - [ -0.0020664700000000, -0.0002016200000000, 0.0002554700000000 ] - [ -0.0015666600000000, -0.0002187300000000, -0.0003167200000000 ] - [ -0.0019148000000000, 0.0043640000000000, -0.0078722700000000 ] - [ -0.0024494000000000, -0.0044778000000000, -0.0071697300000000 ] - [ -0.0013498900000000, -0.0044438300000000, -0.0095878700000000 ] - [ -0.0019567000000000, 0.0011652600000000, -0.0083860000000000 ] - [ -0.0012873500000000, -0.0003328700000000, -0.0086337300000000 ] - [ -0.0024892500000000, -0.0003478800000000, -0.0081401500000000 ] - [ -0.0008334600000000, 0.0006829300000000, 0.0099685300000000 ] - [ 0.0046558600000000, 0.0007170400000000, 0.0067776300000000 ] - [ 0.0018992900000000, -0.0012304000000000, 0.0083808400000000 ] - [ 0.0026189000000000, 0.0010054600000000, 0.0058461800000000 ] - [ 0.0011407200000000, 0.0011171900000000, 0.0109480200000000 ] - [ 0.0018947800000000, -0.0014954900000000, 0.0083906800000000 ] - [ -0.0012166100000000, 0.0005832000000000, -0.0008199800000000 ] - [ 0.0048784100000000, 0.0005955300000000, 0.0008949400000000 ] - [ 0.0018232400000000, -0.0013513100000000, 0.0000359200000000 ] - [ 0.0017975400000000, 0.0001943600000000, -0.0000129500000000 ] - [ 0.0018318000000000, 0.0002084600000000, 0.0000677400000000 ] - [ 0.0018167300000000, -0.0004109000000000, 0.0000350500000000 ] - [ -0.0022068000000000, 0.0001835300000000, -0.0000463700000000 ] - [ -0.0014282800000000, 0.0001909700000000, -0.0000265900000000 ] - [ -0.0018169100000000, -0.0003781300000000, -0.0000338200000000 ] - [ -0.0023530100000000, 0.0001768100000000, -0.0003450500000000 ] - [ -0.0012817300000000, 0.0001836200000000, 0.0002829500000000 ] - [ -0.0018147200000000, -0.0003486300000000, -0.0000333500000000 ] - [ -0.0023622200000000, 0.0001991100000000, -0.0084506800000000 ] - [ -0.0014236700000000, 0.0002068600000000, -0.0083156000000000 ] - [ -0.0018938500000000, -0.0004098800000000, -0.0083837600000000 ] - [ -0.0020346000000000, 0.0001817900000000, -0.0083842900000000 ] - [ -0.0017540800000000, 0.0001946500000000, -0.0083865200000000 ] - [ -0.0018954600000000, -0.0003816300000000, -0.0083853700000000 ] - [ 0.0019033800000000, 0.0008124300000000, 0.0083806800000000 ] - [ 0.0009149200000000, -0.0003475700000000, 0.0081783500000000 ] - [ 0.0028613000000000, -0.0003518300000000, 0.0085864600000000 ] - [ 0.0019038600000000, 0.0004010100000000, 0.0083995100000000 ] - [ 0.0017065000000000, -0.0001980400000000, 0.0083123800000000 ] - [ 0.0020822300000000, -0.0002031800000000, 0.0084569000000000 ] - [ 0.0018204400000000, 0.0006983200000000, 0.0000407700000000 ] - [ 0.0008622700000000, -0.0004086300000000, 0.0001448800000000 ] - [ 0.0027614400000000, -0.0004120100000000, -0.0000722800000000 ] - [ 0.0018707600000000, 0.0004499000000000, 0.0000456800000000 ] - [ 0.0011733400000000, -0.0002646500000000, -0.0004795000000000 ] - [ 0.0024496600000000, -0.0002789400000000, 0.0005395900000000 ] - [ -0.0014616200000000, -0.0021698100000000, 0.0024051700000000 ] - [ -0.0004441000000000, 0.0002485500000000, 0.0021010500000000 ] - [ -0.0024228500000000, 0.0002492300000000, 0.0026955700000000 ] - [ -0.0014201700000000, 0.0023926600000000, 0.0022868500000000 ] - [ -0.0014558400000000, 0.0005348900000000, 0.0032775700000000 ] - [ -0.0014280700000000, 0.0005299500000000, 0.0015414900000000 ] - [ -0.0105720900000000, -0.0017991300000000, -0.0018028900000000 ] - [ -0.0112390800000000, 0.0008499500000000, -0.0016122000000000 ] - [ -0.0099534700000000, 0.0008569800000000, -0.0020011100000000 ] - [ -0.0105688500000000, 0.0002285300000000, -0.0017040900000000 ] - [ -0.0105353200000000, 0.0011553700000000, -0.0026335100000000 ] - [ -0.0106517700000000, 0.0011636600000000, -0.0010009000000000 ] - [ 0.0130835100000000, 0.0053498500000000, 0.0091511500000000 ] - [ 0.0080641900000000, 0.0054017900000000, -0.0056393300000000 ] - [ 0.0105861200000000, 0.0021084600000000, 0.0018084800000000 ] - [ 0.0107444900000000, -0.0003196800000000, 0.0015667300000000 ] - [ 0.0104388000000000, -0.0003408900000000, 0.0020614500000000 ] - [ 0.0105919700000000, 0.0006530400000000, 0.0018110000000000 ] - [ 0.0022369400000000, -0.0000700500000000, -0.0026198000000000 ] - [ 0.0006392000000000, -0.0000737700000000, -0.0021736400000000 ] - [ 0.0014375600000000, 0.0000898500000000, -0.0023994600000000 ] - [ 0.0021160600000000, -0.0000936500000000, -0.0020020500000000 ] - [ 0.0007669200000000, -0.0000963700000000, -0.0028061900000000 ] - [ 0.0014384800000000, 0.0001641900000000, -0.0024004600000000 ] - [ -0.0004364200000000, -0.0000639700000000, 0.0025672500000000 ] - [ -0.0024553500000000, -0.0000648400000000, 0.0022319800000000 ] - [ -0.0014424600000000, 0.0000968800000000, 0.0023991900000000 ] - [ -0.0012627400000000, -0.0000272700000000, 0.0023767800000000 ] - [ -0.0016155800000000, -0.0000291100000000, 0.0024264200000000 ] - [ -0.0014400600000000, 0.0000571500000000, 0.0024005900000000 ] - [ -0.0105351800000000, -0.0003094300000000, -0.0018980700000000 ] - [ -0.0106464800000000, -0.0003172100000000, -0.0017181200000000 ] - [ -0.0105901000000000, 0.0005910700000000, -0.0018085900000000 ] - [ -0.0103852100000000, -0.0001461600000000, -0.0017196400000000 ] - [ -0.0107988000000000, -0.0001527400000000, -0.0019030400000000 ] - [ -0.0105930900000000, 0.0002963800000000, -0.0018110600000000 ] - [ 0.0105884700000000, -0.0003474800000000, 0.0018070500000000 ] - [ 0.0107748000000000, 0.0002050400000000, 0.0018022100000000 ] - [ 0.0104091600000000, 0.0002095400000000, 0.0018154200000000 ] - [ 0.0105805800000000, -0.0001791600000000, 0.0018102400000000 ] - [ 0.0107774000000000, 0.0001647300000000, 0.0019281600000000 ] - [ 0.0104098900000000, 0.0001692100000000, 0.0016937500000000 ] - [ 0.0014143300000000, -0.0020989000000000, -0.0024065600000000 ] - [ 0.0027496300000000, 0.0002952400000000, -0.0020329000000000 ] - [ 0.0001515800000000, 0.0002949100000000, -0.0027608200000000 ] - [ 0.0014289700000000, 0.0000456100000000, -0.0024072600000000 ] - [ 0.0016803300000000, 0.0000294600000000, -0.0024608100000000 ] - [ 0.0012027900000000, 0.0000311900000000, -0.0023424200000000 ] - [ 0.0077494300000000, 0.0105476300000000, -0.0091080500000000 ] - [ 0.0023835600000000, 0.0107163900000000, 0.0114506200000000 ] - [ 0.0050901400000000, 0.0034566100000000, 0.0010842100000000 ] - [ 0.0049736100000000, -0.0003902200000000, 0.0010084200000000 ] - [ 0.0052110900000000, -0.0004111900000000, 0.0011541600000000 ] - [ 0.0050959500000000, 0.0006863900000000, 0.0010819500000000 ] - [ 0.0019075900000000, -0.0303173900000000, 0.0000155000000000 ] - [ 0.0018030800000000, 0.0009034500000000, -0.0006310500000000 ] - [ 0.0019083700000000, 0.0009058100000000, 0.0006173500000000 ] - [ 0.0018630200000000, -0.0003039800000000, -0.0000123300000000 ] - [ 0.0018281100000000, 0.0000445200000000, 0.0001150000000000 ] - [ 0.0018870400000000, 0.0000473700000000, -0.0001067000000000 ] - [ -0.0008784200000000, 0.0002529200000000, -0.0002033800000000 ] - [ -0.0028476900000000, 0.0002553600000000, 0.0002051900000000 ] - [ -0.0018586300000000, 0.0002677300000000, -0.0000035000000000 ] - [ -0.0020972700000000, 0.0000463600000000, 0.0009115500000000 ] - [ -0.0016106600000000, 0.0000295000000000, -0.0009136600000000 ] - [ -0.0018573400000000, 0.0002055900000000, -0.0000069500000000 ] - [ -0.0050841400000000, -0.0021000800000000, -0.0010778200000000 ] - [ -0.0054839200000000, 0.0008703700000000, -0.0012178700000000 ] - [ -0.0047074800000000, 0.0008732000000000, -0.0009510500000000 ] - [ -0.0050887700000000, -0.0004310100000000, -0.0010819500000000 ] - [ -0.0051864600000000, 0.0002105700000000, -0.0010665800000000 ] - [ -0.0050036700000000, 0.0002188000000000, -0.0010982600000000 ] - [ 0.0050902000000000, -0.0003986700000000, 0.0010840200000000 ] - [ 0.0051814100000000, 0.0001873300000000, 0.0010899200000000 ] - [ 0.0050085900000000, 0.0001889900000000, 0.0010766600000000 ] - [ 0.0050919900000000, -0.0004157800000000, 0.0010822200000000 ] - [ 0.0051181300000000, 0.0001996900000000, 0.0010736900000000 ] - [ 0.0050704900000000, 0.0002044600000000, 0.0010926400000000 ] - [ 0.0019120800000000, -0.0000378300000000, -0.0000069500000000 ] - [ 0.0018040000000000, -0.0000379900000000, 0.0000147200000000 ] - [ 0.0018571700000000, 0.0000706600000000, 0.0000041800000000 ] - [ 0.0019164700000000, -0.0000209000000000, 0.0001297700000000 ] - [ 0.0017978800000000, -0.0000230500000000, -0.0001251500000000 ] - [ 0.0018578300000000, 0.0000593100000000, 0.0000035100000000 ] - [ -0.0018586000000000, -0.0003662300000000, -0.0000037600000000 ] - [ -0.0016978100000000, 0.0001257400000000, -0.0000279600000000 ] - [ -0.0020147600000000, 0.0001251300000000, 0.0000219300000000 ] - [ -0.0018634700000000, -0.0002711200000000, -0.0000220200000000 ] - [ -0.0018093400000000, 0.0000297000000000, 0.0001805700000000 ] - [ -0.0019056500000000, 0.0000319900000000, -0.0001829000000000 ] - [ -0.0051127300000000, -0.0002900300000000, -0.0010465700000000 ] - [ -0.0050724900000000, -0.0002965100000000, -0.0011213000000000 ] - [ -0.0050929500000000, 0.0006791600000000, -0.0010832500000000 ] - [ -0.0050704500000000, -0.0003196600000000, -0.0010207500000000 ] - [ -0.0051218000000000, -0.0003421900000000, -0.0011435700000000 ] - [ -0.0050932100000000, 0.0007003700000000, -0.0010829300000000 ]- atom: 103 displacement: [ -0.0030415166827246, 0.0000000000000000, 0.0095262362068504 ] forces: - [ -0.0158216300000000, 0.0000000000000000, 0.0958684600000000 ] - [ -0.0067016300000000, -0.0191709600000000, 0.0062939600000000 ] - [ -0.0067016300000000, 0.0191709600000000, 0.0062939600000000 ] - [ 0.0045230900000000, 0.0000000000000000, -0.0211183500000000 ] - [ 0.0011176500000000, 0.0023820200000000, -0.0047618000000000 ] - [ 0.0011176500000000, -0.0023820200000000, -0.0047618000000000 ] - [ -0.0025289500000000, 0.0000000000000000, 0.0308404500000000 ] - [ 0.0020772500000000, 0.0108584900000000, 0.0005878600000000 ] - [ 0.0020772500000000, -0.0108584900000000, 0.0005878600000000 ] - [ 0.0124758100000000, 0.0000000000000000, -0.0229973600000000 ] - [ -0.0001425100000000, -0.0015399500000000, -0.0137120700000000 ] - [ -0.0001425100000000, 0.0015399500000000, -0.0137120700000000 ] - [ 0.0116380500000000, 0.0081957000000000, 0.0138153400000000 ] - [ 0.0116380500000000, -0.0081957000000000, 0.0138153400000000 ] - [ 0.0045238900000000, 0.0000000000000000, 0.0118927800000000 ] - [ -0.0008835800000000, -0.0089561200000000, -0.0020527100000000 ] - [ -0.0008835800000000, 0.0089561200000000, -0.0020527100000000 ] - [ -0.0001837700000000, 0.0000000000000000, 0.0045824700000000 ] - [ -0.0075952600000000, -0.0042093600000000, 0.0083348700000000 ] - [ -0.0075952600000000, 0.0042093600000000, 0.0083348700000000 ] - [ -0.0004305900000000, 0.0000000000000000, 0.0039067300000000 ] - [ 0.0035439000000000, 0.0005359800000000, -0.0086075900000000 ] - [ 0.0035439000000000, -0.0005359800000000, -0.0086075900000000 ] - [ 0.0025275000000000, 0.0000000000000000, -0.0038142000000000 ] - [ -0.0014625000000000, 0.0013797900000000, 0.0034493100000000 ] - [ -0.0014625000000000, -0.0013797900000000, 0.0034493100000000 ] - [ -0.0018684800000000, 0.0000000000000000, 0.0023979300000000 ] - [ -0.0056749200000000, -0.0005591900000000, -0.0046909600000000 ] - [ -0.0056749200000000, 0.0005591900000000, -0.0046909600000000 ] - [ -0.0030723600000000, 0.0000000000000000, -0.0028738600000000 ] - [ -0.0023691500000000, -0.0022271300000000, -0.0050539800000000 ] - [ -0.0023691500000000, 0.0022271300000000, -0.0050539800000000 ] - [ -0.0019040700000000, 0.0000000000000000, -0.0059427400000000 ] - [ -0.0040472700000000, 0.0019963900000000, -0.0130353100000000 ] - [ -0.0040472700000000, -0.0019963900000000, -0.0130353100000000 ] - [ -0.0032301000000000, 0.0000000000000000, -0.0114369800000000 ] - [ -0.0155336000000000, 0.0000000000000000, 0.0192093500000000 ] - [ -0.0003956400000000, -0.0014634700000000, 0.0123004300000000 ] - [ -0.0003956400000000, 0.0014634700000000, 0.0123004300000000 ] - [ 0.0053622300000000, 0.0000000000000000, -0.0013237800000000 ] - [ 0.0024323600000000, 0.0005612800000000, 0.0043504200000000 ] - [ 0.0024323600000000, -0.0005612800000000, 0.0043504200000000 ] - [ 0.0234797200000000, 0.0000000000000000, 0.0092053500000000 ] - [ 0.0039178900000000, 0.0020903900000000, 0.0036790400000000 ] - [ 0.0039178900000000, -0.0020903900000000, 0.0036790400000000 ] - [ -0.0075819100000000, 0.0000000000000000, -0.0143959400000000 ] - [ 0.0005807700000000, -0.0023392000000000, -0.0039095900000000 ] - [ 0.0005807700000000, 0.0023392000000000, -0.0039095900000000 ] - [ -0.0412041500000000, 0.0000000000000000, 0.0224673200000000 ] - [ -0.0048302800000000, -0.0005933200000000, 0.0022812900000000 ] - [ -0.0048302800000000, 0.0005933200000000, 0.0022812900000000 ] - [ -0.0057914700000000, 0.0000000000000000, 0.0340671600000000 ] - [ -0.0014939200000000, 0.0013368000000000, 0.0046788200000000 ] - [ -0.0014939200000000, -0.0013368000000000, 0.0046788200000000 ] - [ -0.0273405600000000, 0.0000000000000000, 0.0018952200000000 ] - [ -0.0114620500000000, 0.0032232000000000, -0.0012736100000000 ] - [ -0.0114620500000000, -0.0032232000000000, -0.0012736100000000 ] - [ -0.0073762400000000, 0.0000000000000000, 0.0300622200000000 ] - [ -0.0121661000000000, -0.0038630600000000, -0.0006337400000000 ] - [ -0.0121661000000000, 0.0038630600000000, -0.0006337400000000 ] - [ 0.0184271600000000, 0.0230892400000000, 0.0116173000000000 ] - [ 0.0184271600000000, -0.0230892400000000, 0.0116173000000000 ] - [ 0.0127444800000000, 0.0000000000000000, 0.0011880000000000 ] - [ 0.0080370000000000, -0.0030916600000000, 0.0033283400000000 ] - [ 0.0080370000000000, 0.0030916600000000, 0.0033283400000000 ] - [ 0.0094051900000000, 0.0000000000000000, 0.0023389700000000 ] - [ -0.0021614900000000, -0.0004210300000000, -0.0013027300000000 ] - [ -0.0021614900000000, 0.0004210300000000, -0.0013027300000000 ] - [ -0.0000908800000000, 0.0000000000000000, -0.0020910500000000 ] - [ 0.0071301700000000, 0.0006534100000000, -0.0015147500000000 ] - [ 0.0071301700000000, -0.0006534100000000, -0.0015147500000000 ] - [ 0.0036838600000000, 0.0000000000000000, -0.0021618800000000 ] - [ 0.0014500000000000, 0.0003239300000000, 0.0025007000000000 ] - [ 0.0014500000000000, -0.0003239300000000, 0.0025007000000000 ] - [ -0.0004918100000000, 0.0000000000000000, 0.0024103300000000 ] - [ -0.0000917600000000, -0.0002103800000000, 0.0031851300000000 ] - [ -0.0000917600000000, 0.0002103800000000, 0.0031851300000000 ] - [ -0.0006494300000000, 0.0000000000000000, 0.0027484600000000 ] - [ -0.0092156000000000, -0.0027774800000000, -0.0013918300000000 ] - [ -0.0092156000000000, 0.0027774800000000, -0.0013918300000000 ] - [ -0.0097860900000000, 0.0000000000000000, -0.0016457100000000 ] - [ -0.0098462100000000, 0.0006153100000000, -0.0009935600000000 ] - [ -0.0098462100000000, -0.0006153100000000, -0.0009935600000000 ] - [ -0.0104517700000000, 0.0000000000000000, -0.0014127300000000 ] - [ 0.0056935000000000, 0.0000000000000000, 0.0027925000000000 ] - [ 0.0104182100000000, -0.0008973300000000, 0.0020094100000000 ] - [ 0.0104182100000000, 0.0008973300000000, 0.0020094100000000 ] - [ 0.0140119200000000, 0.0000000000000000, 0.0039826800000000 ] - [ 0.0111322500000000, 0.0008421000000000, 0.0023117100000000 ] - [ 0.0111322500000000, -0.0008421000000000, 0.0023117100000000 ] - [ 0.0396853200000000, 0.0000000000000000, 0.0058666400000000 ] - [ 0.0051581000000000, 0.0007257900000000, -0.0021740100000000 ] - [ 0.0051581000000000, -0.0007257900000000, -0.0021740100000000 ] - [ -0.0048947500000000, 0.0000000000000000, 0.0014679900000000 ] - [ -0.0000427600000000, -0.0001847200000000, -0.0019232900000000 ] - [ -0.0000427600000000, 0.0001847200000000, -0.0019232900000000 ] - [ -0.0013756900000000, -0.0385775300000000, 0.0107805500000000 ] - [ -0.0013756900000000, 0.0385775300000000, 0.0107805500000000 ] - [ 0.0035332100000000, 0.0000000000000000, 0.0002721300000000 ] - [ 0.0038021200000000, 0.0033390200000000, 0.0029022900000000 ] - [ 0.0038021200000000, -0.0033390200000000, 0.0029022900000000 ] - [ 0.0045363300000000, 0.0000000000000000, 0.0019303700000000 ] - [ 0.0211461000000000, 0.0000000000000000, -0.2719415500000000 ] - [ 0.0025231200000000, 0.0005676500000000, -0.0130318100000000 ] - [ 0.0025231200000000, -0.0005676500000000, -0.0130318100000000 ] - [ 0.0000539500000000, 0.0000000000000000, 0.0211000000000000 ] - [ 0.0013159500000000, -0.0001135400000000, 0.0062223700000000 ] - [ 0.0013159500000000, 0.0001135400000000, 0.0062223700000000 ] - [ -0.0020657700000000, -0.0004752400000000, -0.0098985700000000 ] - [ -0.0020657700000000, 0.0004752400000000, -0.0098985700000000 ] - [ -0.0017643100000000, 0.0000000000000000, -0.0054334100000000 ] - [ -0.0025520700000000, 0.0009433700000000, 0.0120781100000000 ] - [ -0.0025520700000000, -0.0009433700000000, 0.0120781100000000 ] - [ -0.0019203000000000, 0.0000000000000000, 0.0045328500000000 ] - [ 0.0031268300000000, 0.0000000000000000, 0.0003466400000000 ] - [ -0.0037725500000000, -0.0023983100000000, -0.0020503900000000 ] - [ -0.0037725500000000, 0.0023983100000000, -0.0020503900000000 ] - [ -0.0071057200000000, 0.0000000000000000, 0.0006547100000000 ] - [ -0.0059002500000000, -0.0000546500000000, -0.0000580300000000 ] - [ -0.0059002500000000, 0.0000546500000000, -0.0000580300000000 ] - [ 0.0075185700000000, 0.0000000000000000, 0.0001585800000000 ] - [ 0.0052104900000000, 0.0007018000000000, 0.0006177500000000 ] - [ 0.0052104900000000, -0.0007018000000000, 0.0006177500000000 ] - [ 0.0054418700000000, 0.0000000000000000, 0.0019400600000000 ] - [ 0.0054660600000000, -0.0006750300000000, 0.0015984200000000 ] - [ 0.0054660600000000, 0.0006750300000000, 0.0015984200000000 ] - [ 0.0019404000000000, 0.0000271600000000, -0.0049085800000000 ] - [ 0.0019404000000000, -0.0000271600000000, -0.0049085800000000 ] - [ 0.0019529300000000, 0.0000000000000000, -0.0033862100000000 ] - [ 0.0021620800000000, -0.0001025200000000, 0.0052561800000000 ] - [ 0.0021620800000000, 0.0001025200000000, 0.0052561800000000 ] - [ 0.0019211400000000, 0.0000000000000000, 0.0036688000000000 ] - [ -0.0023653400000000, 0.0000000000000000, -0.0140936500000000 ] - [ -0.0016795500000000, -0.0000728800000000, -0.0052170200000000 ] - [ -0.0016795500000000, 0.0000728800000000, -0.0052170200000000 ] - [ -0.0018902900000000, 0.0000000000000000, 0.0136126900000000 ] - [ -0.0019692500000000, 0.0001586300000000, 0.0050366600000000 ] - [ -0.0019692500000000, -0.0001586300000000, 0.0050366600000000 ] - [ -0.0064492600000000, 0.0029661400000000, -0.0016597300000000 ] - [ -0.0064492600000000, -0.0029661400000000, -0.0016597300000000 ] - [ -0.0056762900000000, 0.0000000000000000, -0.0015030800000000 ] - [ -0.0040770000000000, -0.0033931100000000, 0.0000146400000000 ] - [ -0.0040770000000000, 0.0033931100000000, 0.0000146400000000 ] - [ -0.0045065600000000, 0.0000000000000000, -0.0005858000000000 ]- atom: 103 displacement: [ 0.0030415166827246, 0.0000000000000000, -0.0095262362068504 ] forces: - [ 0.0116956300000000, 0.0000000000000000, -0.0858162800000000 ] - [ 0.0030558500000000, 0.0191738500000000, -0.0063119800000000 ] - [ 0.0030558500000000, -0.0191738500000000, -0.0063119800000000 ] - [ -0.0081397200000000, 0.0000000000000000, 0.0211446500000000 ] - [ -0.0047567600000000, -0.0024029300000000, 0.0046996600000000 ] - [ -0.0047567600000000, 0.0024029300000000, 0.0046996600000000 ] - [ -0.0017119600000000, 0.0000000000000000, -0.0548692200000000 ] - [ -0.0058869400000000, -0.0108520500000000, -0.0174150000000000 ] - [ -0.0058869400000000, 0.0108520500000000, -0.0174150000000000 ] - [ -0.0162738800000000, 0.0000000000000000, 0.0063221700000000 ] - [ -0.0036493200000000, 0.0015437100000000, -0.0030392600000000 ] - [ -0.0036493200000000, -0.0015437100000000, -0.0030392600000000 ] - [ -0.0078747400000000, -0.0082110000000000, 0.0030428300000000 ] - [ -0.0078747400000000, 0.0082110000000000, 0.0030428300000000 ] - [ -0.0007383400000000, 0.0000000000000000, 0.0048769900000000 ] - [ 0.0047110600000000, 0.0089984700000000, 0.0187826300000000 ] - [ 0.0047110600000000, -0.0089984700000000, 0.0187826300000000 ] - [ 0.0039805800000000, 0.0000000000000000, 0.0121928200000000 ] - [ 0.0111860000000000, 0.0041135400000000, -0.0083852400000000 ] - [ 0.0111860000000000, -0.0041135400000000, -0.0083852400000000 ] - [ 0.0040664500000000, 0.0000000000000000, -0.0038512400000000 ] - [ 0.0000917000000000, -0.0005356900000000, 0.0087040400000000 ] - [ 0.0000917000000000, 0.0005356900000000, 0.0087040400000000 ] - [ 0.0011077600000000, 0.0000000000000000, 0.0038892800000000 ] - [ -0.0021773500000000, -0.0013812400000000, -0.0035243500000000 ] - [ -0.0021773500000000, 0.0013812400000000, -0.0035243500000000 ] - [ -0.0017664900000000, 0.0000000000000000, -0.0024688500000000 ] - [ 0.0020395600000000, 0.0005622200000000, 0.0046238600000000 ] - [ 0.0020395600000000, -0.0005622200000000, 0.0046238600000000 ] - [ -0.0005625800000000, 0.0000000000000000, 0.0028080100000000 ] - [ -0.0014489200000000, 0.0022489200000000, -0.0117284500000000 ] - [ -0.0014489200000000, -0.0022489200000000, -0.0117284500000000 ] - [ -0.0018928100000000, 0.0000000000000000, -0.0108336800000000 ] - [ 0.0002572800000000, -0.0020012100000000, -0.0037236000000000 ] - [ 0.0002572800000000, 0.0020012100000000, -0.0037236000000000 ] - [ -0.0005584300000000, 0.0000000000000000, -0.0053256200000000 ] - [ 0.0194122400000000, 0.0000000000000000, -0.0024433600000000 ] - [ 0.0041985600000000, 0.0014722700000000, 0.0044675700000000 ] - [ 0.0041985600000000, -0.0014722700000000, 0.0044675700000000 ] - [ -0.0016024400000000, 0.0000000000000000, 0.0181035300000000 ] - [ 0.0013541300000000, -0.0005659300000000, 0.0124243100000000 ] - [ 0.0013541300000000, 0.0005659300000000, 0.0124243100000000 ] - [ -0.0200265800000000, 0.0000000000000000, -0.0093024100000000 ] - [ -0.0002788800000000, -0.0021004700000000, -0.0036305100000000 ] - [ -0.0002788800000000, 0.0021004700000000, -0.0036305100000000 ] - [ 0.0111899000000000, 0.0000000000000000, 0.0145095500000000 ] - [ 0.0030536000000000, 0.0023383500000000, 0.0039924800000000 ] - [ 0.0030536000000000, -0.0023383500000000, 0.0039924800000000 ] - [ 0.0390039400000000, 0.0000000000000000, -0.0178069200000000 ] - [ 0.0019606900000000, 0.0005892700000000, 0.0025290000000000 ] - [ 0.0019606900000000, -0.0005892700000000, 0.0025290000000000 ] - [ 0.0029143100000000, 0.0000000000000000, -0.0289546200000000 ] - [ -0.0013876500000000, -0.0013364400000000, 0.0001190400000000 ] - [ -0.0013876500000000, 0.0013364400000000, 0.0001190400000000 ] - [ 0.0060558000000000, 0.0000000000000000, -0.0055821800000000 ] - [ -0.0097231500000000, -0.0032300300000000, -0.0023492500000000 ] - [ -0.0097231500000000, 0.0032300300000000, -0.0023492500000000 ] - [ -0.0138431100000000, 0.0000000000000000, -0.0341143100000000 ] - [ -0.0090170300000000, 0.0038665200000000, -0.0029789700000000 ] - [ -0.0090170300000000, -0.0038665200000000, -0.0029789700000000 ] - [ 0.0026991700000000, -0.0232912500000000, -0.0078582900000000 ] - [ 0.0026991700000000, 0.0232912500000000, -0.0078582900000000 ] - [ 0.0084248800000000, 0.0000000000000000, 0.0024362000000000 ] - [ 0.0131437800000000, 0.0030883000000000, 0.0002729200000000 ] - [ 0.0131437800000000, -0.0030883000000000, 0.0002729200000000 ] - [ 0.0117786700000000, 0.0000000000000000, 0.0012768200000000 ] - [ 0.0050560500000000, 0.0004192300000000, -0.0035064800000000 ] - [ 0.0050560500000000, -0.0004192300000000, -0.0035064800000000 ] - [ 0.0029720600000000, 0.0000000000000000, -0.0027120500000000 ] - [ -0.0042711000000000, -0.0006532400000000, -0.0032684000000000 ] - [ -0.0042711000000000, 0.0006532400000000, -0.0032684000000000 ] - [ -0.0008079200000000, 0.0000000000000000, -0.0026336800000000 ] - [ -0.0042981800000000, -0.0003240200000000, 0.0023086600000000 ] - [ -0.0042981800000000, 0.0003240200000000, 0.0023086600000000 ] - [ -0.0023822100000000, 0.0000000000000000, 0.0023916300000000 ] - [ -0.0027932100000000, 0.0002110800000000, 0.0016104500000000 ] - [ -0.0027932100000000, -0.0002110800000000, 0.0016104500000000 ] - [ -0.0022341400000000, 0.0000000000000000, 0.0020497800000000 ] - [ -0.0119716200000000, 0.0027791500000000, -0.0022308300000000 ] - [ -0.0119716200000000, -0.0027791500000000, -0.0022308300000000 ] - [ -0.0113976400000000, 0.0000000000000000, -0.0019744500000000 ] - [ -0.0113305100000000, -0.0006265900000000, -0.0026220900000000 ] - [ -0.0113305100000000, 0.0006265900000000, -0.0026220900000000 ] - [ -0.0107294500000000, 0.0000000000000000, -0.0022064600000000 ] - [ 0.0155596200000000, 0.0000000000000000, 0.0008258700000000 ] - [ 0.0107640900000000, 0.0009001800000000, 0.0016095600000000 ] - [ 0.0107640900000000, -0.0009001800000000, 0.0016095600000000 ] - [ 0.0071596400000000, 0.0000000000000000, -0.0003824400000000 ] - [ 0.0100505800000000, -0.0008424100000000, 0.0013029400000000 ] - [ 0.0100505800000000, 0.0008424100000000, 0.0013029400000000 ] - [ -0.0365821300000000, 0.0000000000000000, -0.0108158300000000 ] - [ -0.0022794700000000, -0.0007330300000000, -0.0026336700000000 ] - [ -0.0022794700000000, 0.0007330300000000, -0.0026336700000000 ] - [ 0.0078192000000000, 0.0000000000000000, -0.0062888400000000 ] - [ 0.0029296100000000, 0.0001863700000000, -0.0028765800000000 ] - [ 0.0029296100000000, -0.0001863700000000, -0.0028765800000000 ] - [ 0.0115373100000000, 0.0382515800000000, -0.0087041700000000 ] - [ 0.0115373100000000, -0.0382515800000000, -0.0087041700000000 ] - [ 0.0066476000000000, 0.0000000000000000, 0.0018886000000000 ] - [ 0.0063828400000000, -0.0033741500000000, -0.0007381100000000 ] - [ 0.0063828400000000, 0.0033741500000000, -0.0007381100000000 ] - [ 0.0056502300000000, 0.0000000000000000, 0.0002346600000000 ] - [ -0.0170240300000000, 0.0000000000000000, 0.2695103400000000 ] - [ 0.0011956400000000, -0.0005893800000000, 0.0130281000000000 ] - [ 0.0011956400000000, 0.0005893800000000, 0.0130281000000000 ] - [ 0.0036667800000000, 0.0000000000000000, -0.0211756500000000 ] - [ 0.0024024600000000, 0.0001151600000000, -0.0062345800000000 ] - [ 0.0024024600000000, -0.0001151600000000, -0.0062345800000000 ] - [ -0.0016051900000000, 0.0005119900000000, 0.0098914100000000 ] - [ -0.0016051900000000, -0.0005119900000000, 0.0098914100000000 ] - [ -0.0019515700000000, 0.0000000000000000, 0.0054287700000000 ] - [ -0.0011685600000000, -0.0009438900000000, -0.0121112700000000 ] - [ -0.0011685600000000, 0.0009438900000000, -0.0121112700000000 ] - [ -0.0017966000000000, 0.0000000000000000, -0.0045458300000000 ] - [ -0.0132621000000000, 0.0000000000000000, -0.0024041900000000 ] - [ -0.0064264400000000, 0.0023883000000000, -0.0001082800000000 ] - [ -0.0064264400000000, -0.0023883000000000, -0.0001082800000000 ] - [ -0.0030782900000000, 0.0000000000000000, -0.0028293900000000 ] - [ -0.0042851100000000, 0.0000581400000000, -0.0021113600000000 ] - [ -0.0042851100000000, -0.0000581400000000, -0.0021113600000000 ] - [ 0.0026736900000000, 0.0000000000000000, 0.0020101400000000 ] - [ 0.0049757900000000, -0.0007013200000000, 0.0015487600000000 ] - [ 0.0049757900000000, 0.0007013200000000, 0.0015487600000000 ] - [ 0.0047512000000000, 0.0000000000000000, 0.0002254100000000 ] - [ 0.0047211300000000, 0.0006762900000000, 0.0005675600000000 ] - [ 0.0047211300000000, -0.0006762900000000, 0.0005675600000000 ] - [ 0.0017786600000000, -0.0000282000000000, 0.0049283500000000 ] - [ 0.0017786600000000, 0.0000282000000000, 0.0049283500000000 ] - [ 0.0017629500000000, 0.0000000000000000, 0.0034019100000000 ] - [ 0.0015546700000000, 0.0001034100000000, -0.0052570400000000 ] - [ 0.0015546700000000, -0.0001034100000000, -0.0052570400000000 ] - [ 0.0017960100000000, 0.0000000000000000, -0.0036675700000000 ] - [ -0.0013980900000000, 0.0000000000000000, 0.0141767200000000 ] - [ -0.0020416700000000, 0.0000706100000000, 0.0052259700000000 ] - [ -0.0020416700000000, -0.0000706100000000, 0.0052259700000000 ] - [ -0.0018256500000000, 0.0000000000000000, -0.0136343700000000 ] - [ -0.0017474400000000, -0.0001585700000000, -0.0050534100000000 ] - [ -0.0017474400000000, 0.0001585700000000, -0.0050534100000000 ] - [ -0.0037298200000000, -0.0029955800000000, -0.0005005900000000 ] - [ -0.0037298200000000, 0.0029955800000000, -0.0005005900000000 ] - [ -0.0045075900000000, 0.0000000000000000, -0.0006611200000000 ] - [ -0.0061090600000000, 0.0033917500000000, -0.0021878400000000 ] - [ -0.0061090600000000, -0.0033917500000000, -0.0021878400000000 ] - [ -0.0056795900000000, 0.0000000000000000, -0.0015843000000000 ]