# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/cd19ac9a-ce0e-4dad-8264-90dab24a950b/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 NaPr2RuO6 / P2_1/c (14) / materials id 542512](https://mdr.nims.go.jp/datasets/53b092f8-3046-4cf3-b5a2-74b6dc47e729) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.462428350000000, 0.000000000000000, 0.002080360000000 ] # a - [ 0.000000000000000, 5.936232370000000, 0.000000000000000 ] # b - [ -5.343896360000000, 0.000000000000000, 7.875184730000000 ] # c points: - symbol: Pr # 1 coordinates: [ 0.225860610000000, 0.924014000000000, 0.747314220000000 ] mass: 140.907650 - symbol: Pr # 2 coordinates: [ 0.774139390000000, 0.424014000000000, 0.752685780000000 ] mass: 140.907650 - symbol: Pr # 3 coordinates: [ 0.774139390000000, 0.075986000000000, 0.252685780000000 ] mass: 140.907650 - symbol: Pr # 4 coordinates: [ 0.225860610000000, 0.575986000000000, 0.247314220000000 ] mass: 140.907650 - symbol: Na # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Ru # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 101.070000 - symbol: Ru # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 101.070000 - symbol: O # 9 coordinates: [ 0.155751270000000, 0.673546890000000, 0.950172170000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.844248730000000, 0.173546890000000, 0.549827830000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.844248730000000, 0.326453110000000, 0.049827830000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.155751270000000, 0.826453110000000, 0.450172170000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.379672810000000, 0.542057180000000, 0.767133750000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.620327190000000, 0.042057180000000, 0.732866250000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.620327190000000, 0.457942820000000, 0.232866250000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.379672810000000, 0.957942820000000, 0.267133750000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.275382710000000, 0.218634700000000, 0.937153900000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.724617290000000, 0.718634700000000, 0.562846100000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.724617290000000, 0.781365300000000, 0.062846100000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.275382710000000, 0.281365300000000, 0.437153900000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.183021463805854, 0.000000000000000, 0.124193624374063 ] # a* - [ 0.000000000000000, 0.168457017460049, 0.000000000000000 ] # b* - [ -0.000048348139821, 0.000000000000000, 0.126948340493290 ] # c*unit_cell: lattice: - [ 5.462428350000000, 0.000000000000000, 0.002080360000000 ] # a - [ 0.000000000000000, 5.936232370000000, 0.000000000000000 ] # b - [ -5.343896360000000, 0.000000000000000, 7.875184730000000 ] # c points: - symbol: Pr # 1 coordinates: [ 0.225860610000000, 0.924014000000000, 0.747314220000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 2 coordinates: [ 0.774139390000000, 0.424014000000000, 0.752685780000000 ] mass: 140.907650 reduced_to: 2 - symbol: Pr # 3 coordinates: [ 0.774139390000000, 0.075986000000000, 0.252685780000000 ] mass: 140.907650 reduced_to: 3 - symbol: Pr # 4 coordinates: [ 0.225860610000000, 0.575986000000000, 0.247314220000000 ] mass: 140.907650 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Ru # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 101.070000 reduced_to: 7 - symbol: Ru # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 101.070000 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.155751270000000, 0.673546890000000, 0.950172170000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.844248730000000, 0.173546890000000, 0.549827830000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.844248730000000, 0.326453110000000, 0.049827830000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.155751270000000, 0.826453110000000, 0.450172170000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.379672810000000, 0.542057180000000, 0.767133750000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.620327190000000, 0.042057180000000, 0.732866250000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.620327190000000, 0.457942820000000, 0.232866250000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.379672810000000, 0.957942820000000, 0.267133750000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.275382710000000, 0.218634700000000, 0.937153900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.724617290000000, 0.718634700000000, 0.562846100000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.724617290000000, 0.781365300000000, 0.062846100000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.275382710000000, 0.281365300000000, 0.437153900000000 ] mass: 15.999400 reduced_to: 20supercell: lattice: - [ 10.924856699999999, 0.000000000000000, 0.004160720000000 ] # a - [ 0.000000000000000, 11.872464740000000, 0.000000000000000 ] # b - [ -5.343896360000000, 0.000000000000000, 7.875184730000000 ] # c points: - symbol: Pr # 1 coordinates: [ 0.112930305000000, 0.462007000000000, 0.747314220000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 2 coordinates: [ 0.612930305000000, 0.462007000000000, 0.747314220000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 3 coordinates: [ 0.112930305000000, 0.962007000000000, 0.747314220000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 4 coordinates: [ 0.612930305000000, 0.962007000000000, 0.747314220000000 ] mass: 140.907650 reduced_to: 1 - symbol: Pr # 5 coordinates: [ 0.387069695000000, 0.212007000000000, 0.752685780000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 6 coordinates: [ 0.887069695000000, 0.212007000000000, 0.752685780000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 7 coordinates: [ 0.387069695000000, 0.712007000000000, 0.752685780000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 8 coordinates: [ 0.887069695000000, 0.712007000000000, 0.752685780000000 ] mass: 140.907650 reduced_to: 5 - symbol: Pr # 9 coordinates: [ 0.387069695000000, 0.037993000000000, 0.252685780000000 ] mass: 140.907650 reduced_to: 9 - symbol: Pr # 10 coordinates: [ 0.887069695000000, 0.037993000000000, 0.252685780000000 ] mass: 140.907650 reduced_to: 9 - symbol: Pr # 11 coordinates: [ 0.387069695000000, 0.537993000000000, 0.252685780000000 ] mass: 140.907650 reduced_to: 9 - symbol: Pr # 12 coordinates: [ 0.887069695000000, 0.537993000000000, 0.252685780000000 ] mass: 140.907650 reduced_to: 9 - symbol: Pr # 13 coordinates: [ 0.112930305000000, 0.287993000000000, 0.247314220000000 ] mass: 140.907650 reduced_to: 13 - symbol: Pr # 14 coordinates: [ 0.612930305000000, 0.287993000000000, 0.247314220000000 ] mass: 140.907650 reduced_to: 13 - symbol: Pr # 15 coordinates: [ 0.112930305000000, 0.787993000000000, 0.247314220000000 ] mass: 140.907650 reduced_to: 13 - symbol: Pr # 16 coordinates: [ 0.612930305000000, 0.787993000000000, 0.247314220000000 ] mass: 140.907650 reduced_to: 13 - symbol: Na # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 19 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 20 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 21 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.500000000000000, 0.250000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 23 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 24 coordinates: [ 0.500000000000000, 0.750000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 21 - symbol: Ru # 25 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 101.070000 reduced_to: 25 - symbol: Ru # 26 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 101.070000 reduced_to: 25 - symbol: Ru # 27 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 101.070000 reduced_to: 25 - symbol: Ru # 28 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 101.070000 reduced_to: 25 - symbol: Ru # 29 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 101.070000 reduced_to: 29 - symbol: Ru # 30 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 101.070000 reduced_to: 29 - symbol: Ru # 31 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 101.070000 reduced_to: 29 - symbol: Ru # 32 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 101.070000 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.077875635000000, 0.336773445000000, 0.950172170000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.577875635000000, 0.336773445000000, 0.950172170000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.077875635000000, 0.836773445000000, 0.950172170000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.577875635000000, 0.836773445000000, 0.950172170000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.422124365000000, 0.086773445000000, 0.549827830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.922124365000000, 0.086773445000000, 0.549827830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.422124365000000, 0.586773445000000, 0.549827830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.922124365000000, 0.586773445000000, 0.549827830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.422124365000000, 0.163226555000000, 0.049827830000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.922124365000000, 0.163226555000000, 0.049827830000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.422124365000000, 0.663226555000000, 0.049827830000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.922124365000000, 0.663226555000000, 0.049827830000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.077875635000000, 0.413226555000000, 0.450172170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.577875635000000, 0.413226555000000, 0.450172170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.077875635000000, 0.913226555000000, 0.450172170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.577875635000000, 0.913226555000000, 0.450172170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.189836405000000, 0.271028590000000, 0.767133750000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.689836405000000, 0.271028590000000, 0.767133750000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.189836405000000, 0.771028590000000, 0.767133750000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.689836405000000, 0.771028590000000, 0.767133750000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.310163595000000, 0.021028590000000, 0.732866250000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.810163595000000, 0.021028590000000, 0.732866250000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.310163595000000, 0.521028590000000, 0.732866250000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.810163595000000, 0.521028590000000, 0.732866250000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.310163595000000, 0.228971410000000, 0.232866250000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.810163595000000, 0.228971410000000, 0.232866250000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.310163595000000, 0.728971410000000, 0.232866250000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.810163595000000, 0.728971410000000, 0.232866250000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.189836405000000, 0.478971410000000, 0.267133750000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.689836405000000, 0.478971410000000, 0.267133750000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.189836405000000, 0.978971410000000, 0.267133750000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.689836405000000, 0.978971410000000, 0.267133750000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.137691355000000, 0.109317350000000, 0.937153900000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.637691355000000, 0.109317350000000, 0.937153900000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.137691355000000, 0.609317350000000, 0.937153900000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.637691355000000, 0.609317350000000, 0.937153900000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.362308645000000, 0.359317350000000, 0.562846100000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.862308645000000, 0.359317350000000, 0.562846100000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.362308645000000, 0.859317350000000, 0.562846100000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.862308645000000, 0.859317350000000, 0.562846100000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.362308645000000, 0.390682650000000, 0.062846100000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.862308645000000, 0.390682650000000, 0.062846100000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.362308645000000, 0.890682650000000, 0.062846100000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.862308645000000, 0.890682650000000, 0.062846100000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.137691355000000, 0.140682650000000, 0.437153900000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.637691355000000, 0.140682650000000, 0.437153900000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.137691355000000, 0.640682650000000, 0.437153900000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.637691355000000, 0.640682650000000, 0.437153900000000 ] mass: 15.999400 reduced_to: 77displacements:- atom: 1 displacement: [ 0.0099999992747705, 0.0000000000000000, 0.0000038084890379 ] forces: - [ -0.1232062400000000, 0.0298257100000000, 0.0160666100000000 ] - [ -0.0206838300000000, 0.0190985600000000, 0.0205496100000000 ] - [ -0.0256190900000000, 0.0186686900000000, 0.0205360700000000 ] - [ -0.0248606500000000, 0.0187078500000000, 0.0206704700000000 ] - [ 0.0305078600000000, 0.0129989800000000, -0.0206007100000000 ] - [ 0.0294528400000000, 0.0277500400000000, -0.0203991900000000 ] - [ 0.0303869600000000, 0.0270511700000000, -0.0203872600000000 ] - [ 0.0296107100000000, 0.0099990200000000, -0.0198614200000000 ] - [ 0.0249981300000000, -0.0186641500000000, -0.0202170100000000 ] - [ 0.0249667300000000, -0.0184482800000000, -0.0205789400000000 ] - [ 0.0219658500000000, -0.0177623300000000, -0.0203532300000000 ] - [ 0.0230421000000000, -0.0171411800000000, -0.0212224200000000 ] - [ -0.0224167800000000, -0.0186024100000000, 0.0176693500000000 ] - [ -0.0225226200000000, -0.0185934800000000, 0.0235379700000000 ] - [ -0.0249082800000000, -0.0186745500000000, 0.0199991700000000 ] - [ -0.0248581000000000, -0.0183246900000000, 0.0210881600000000 ] - [ 0.0000961600000000, 0.0000794200000000, -0.0000606200000000 ] - [ 0.0001750500000000, -0.0001150800000000, 0.0000538100000000 ] - [ 0.0073730700000000, -0.0016603900000000, -0.0073493300000000 ] - [ 0.0056854500000000, 0.0010562500000000, 0.0049644300000000 ] - [ -0.0029566700000000, -0.0007386200000000, -0.0005726900000000 ] - [ 0.0001196800000000, -0.0001181100000000, 0.0000100400000000 ] - [ -0.0007092800000000, 0.0000811800000000, -0.0001251200000000 ] - [ 0.0000858100000000, 0.0000402100000000, 0.0000109700000000 ] - [ -0.0209719200000000, -0.0009405900000000, 0.0046375700000000 ] - [ 0.0024145000000000, -0.0005742200000000, 0.0000843600000000 ] - [ -0.0062425900000000, -0.0059373200000000, -0.0016278600000000 ] - [ 0.0018174800000000, -0.0001012000000000, 0.0005261000000000 ] - [ 0.0003210600000000, -0.0003558700000000, -0.0007820000000000 ] - [ 0.0006704700000000, -0.0003058100000000, 0.0006210900000000 ] - [ 0.0228560000000000, 0.0008768900000000, -0.0329752700000000 ] - [ 0.0223122000000000, -0.0069648800000000, 0.0235245200000000 ] - [ 0.0013013100000000, -0.0041750800000000, 0.0169101300000000 ] - [ -0.0104807600000000, 0.0063860400000000, 0.0099918800000000 ] - [ -0.0081350700000000, 0.0060473400000000, 0.0110561600000000 ] - [ -0.0094701100000000, 0.0053916600000000, 0.0099398800000000 ] - [ 0.0083298500000000, 0.0058147200000000, -0.0107910500000000 ] - [ 0.0086808900000000, 0.0049475700000000, -0.0108243400000000 ] - [ 0.0071737300000000, 0.0054090400000000, -0.0092862600000000 ] - [ 0.0100413300000000, -0.0095793500000000, -0.0044301600000000 ] - [ 0.0081303000000000, -0.0041729200000000, -0.0116887200000000 ] - [ 0.0077855200000000, -0.0052179800000000, -0.0106659000000000 ] - [ 0.0101379900000000, -0.0079194700000000, -0.0122950300000000 ] - [ 0.0076794600000000, -0.0049694900000000, -0.0103385600000000 ] - [ -0.0111582500000000, -0.0080716200000000, 0.0143531300000000 ] - [ -0.0082945000000000, -0.0041419800000000, 0.0098982300000000 ] - [ -0.0084566500000000, -0.0052865800000000, 0.0107140000000000 ] - [ -0.0087129900000000, -0.0054560800000000, 0.0107114200000000 ] - [ 0.0196583000000000, -0.0189556400000000, 0.0189667300000000 ] - [ 0.0097589500000000, -0.0130415900000000, 0.0250741400000000 ] - [ 0.0128788900000000, -0.0143219000000000, 0.0241905500000000 ] - [ 0.0098511300000000, -0.0127423000000000, 0.0254804300000000 ] - [ -0.0107781700000000, -0.0126748200000000, -0.0246189900000000 ] - [ -0.0112648500000000, -0.0137138400000000, -0.0256247800000000 ] - [ 0.0244453700000000, -0.0002475700000000, -0.0046181700000000 ] - [ -0.0201854200000000, -0.0115495700000000, -0.0333786000000000 ] - [ -0.0095874500000000, 0.0132312800000000, -0.0244461900000000 ] - [ -0.0110930700000000, 0.0132462500000000, -0.0247286400000000 ] - [ -0.0101077500000000, 0.0134924600000000, -0.0246257100000000 ] - [ -0.0110485500000000, 0.0134977000000000, -0.0252885100000000 ] - [ 0.0101099000000000, 0.0135742800000000, 0.0266161500000000 ] - [ 0.0091003500000000, 0.0134802900000000, 0.0229219800000000 ] - [ 0.0108173700000000, 0.0132350800000000, 0.0253556200000000 ] - [ 0.0108035000000000, 0.0129436700000000, 0.0249098400000000 ] - [ -0.0087196900000000, -0.0223122900000000, -0.0029456100000000 ] - [ -0.0105184900000000, -0.0215494700000000, -0.0024222400000000 ] - [ -0.0016234600000000, -0.0207810400000000, -0.0032969200000000 ] - [ -0.0113597200000000, -0.0225482700000000, -0.0029766600000000 ] - [ 0.0074715600000000, -0.0223676900000000, 0.0052747600000000 ] - [ 0.0082503500000000, -0.0124787300000000, -0.0030056400000000 ] - [ 0.0091700800000000, -0.0225203100000000, 0.0030813300000000 ] - [ 0.0098222700000000, -0.0207130900000000, 0.0015811600000000 ] - [ 0.0152405100000000, 0.0282195200000000, -0.0026399800000000 ] - [ 0.0086277300000000, 0.0209554600000000, 0.0029128300000000 ] - [ 0.0101327800000000, 0.0222890100000000, 0.0023032700000000 ] - [ 0.0096970900000000, 0.0215032500000000, 0.0021579900000000 ] - [ -0.0102667100000000, 0.0219273900000000, -0.0016821000000000 ] - [ -0.0101858600000000, 0.0213156900000000, -0.0025599000000000 ] - [ -0.0120585400000000, 0.0214588500000000, 0.0009918100000000 ] - [ -0.0104925000000000, 0.0209312700000000, -0.0036519600000000 ]- atom: 1 displacement: [ -0.0099999992747705, 0.0000000000000000, -0.0000038084890379 ] forces: - [ 0.0712503100000000, 0.0066202400000000, 0.0256005300000000 ] - [ -0.0294333700000000, 0.0180779500000000, 0.0206450300000000 ] - [ -0.0244726000000000, 0.0186743800000000, 0.0205663200000000 ] - [ -0.0252068500000000, 0.0186398300000000, 0.0205298300000000 ] - [ 0.0197319200000000, 0.0242466400000000, -0.0204752200000000 ] - [ 0.0204914600000000, 0.0094190400000000, -0.0207264900000000 ] - [ 0.0198027800000000, 0.0102936100000000, -0.0208286600000000 ] - [ 0.0204239200000000, 0.0273416800000000, -0.0213337600000000 ] - [ 0.0250840900000000, -0.0186184300000000, -0.0209007300000000 ] - [ 0.0250937700000000, -0.0187245000000000, -0.0206734500000000 ] - [ 0.0280713900000000, -0.0195924100000000, -0.0207388000000000 ] - [ 0.0270878200000000, -0.0202271200000000, -0.0198907400000000 ] - [ -0.0277818900000000, -0.0186359100000000, 0.0234307000000000 ] - [ -0.0274669800000000, -0.0186789400000000, 0.0175846600000000 ] - [ -0.0252218200000000, -0.0186174000000000, 0.0211797100000000 ] - [ -0.0251706100000000, -0.0189200900000000, 0.0201258600000000 ] - [ -0.0001237500000000, -0.0000428000000000, 0.0000584900000000 ] - [ -0.0001375900000000, 0.0001396700000000, -0.0000568100000000 ] - [ -0.0074653500000000, 0.0016588800000000, 0.0074639400000000 ] - [ -0.0055857300000000, -0.0010754400000000, -0.0048825600000000 ] - [ 0.0029545900000000, 0.0007966200000000, 0.0005779000000000 ] - [ -0.0001223200000000, 0.0001320400000000, 0.0000207400000000 ] - [ 0.0007115600000000, -0.0001067500000000, 0.0001141100000000 ] - [ -0.0000879900000000, -0.0000529300000000, 0.0000057500000000 ] - [ 0.0208752900000000, 0.0011608900000000, -0.0048265300000000 ] - [ -0.0024047700000000, 0.0005354300000000, -0.0000698000000000 ] - [ 0.0061500100000000, 0.0057921000000000, 0.0015990200000000 ] - [ -0.0017978900000000, 0.0001237300000000, -0.0005231500000000 ] - [ -0.0003235000000000, 0.0003627200000000, 0.0007861900000000 ] - [ -0.0006643100000000, 0.0003124500000000, -0.0006239400000000 ] - [ -0.0227725200000000, -0.0009066500000000, 0.0326992600000000 ] - [ -0.0222428000000000, 0.0069828700000000, -0.0237321200000000 ] - [ -0.0183561200000000, 0.0144568100000000, 0.0049520400000000 ] - [ -0.0065259400000000, 0.0042912700000000, 0.0115579500000000 ] - [ -0.0086868700000000, 0.0045060200000000, 0.0105752200000000 ] - [ -0.0074293900000000, 0.0051928100000000, 0.0116503300000000 ] - [ 0.0085308900000000, 0.0047562400000000, -0.0108126100000000 ] - [ 0.0082212500000000, 0.0056437500000000, -0.0107662700000000 ] - [ 0.0098057500000000, 0.0052258300000000, -0.0123045700000000 ] - [ 0.0066522500000000, 0.0203921400000000, -0.0174779900000000 ] - [ 0.0086995700000000, -0.0063752000000000, -0.0099366400000000 ] - [ 0.0091773800000000, -0.0054121600000000, -0.0109113600000000 ] - [ 0.0067180700000000, -0.0026377100000000, -0.0093524300000000 ] - [ 0.0092090300000000, -0.0056323600000000, -0.0112612200000000 ] - [ -0.0056671600000000, -0.0025853300000000, 0.0071043700000000 ] - [ -0.0086018100000000, -0.0064088200000000, 0.0117028300000000 ] - [ -0.0084023700000000, -0.0052812700000000, 0.0108824900000000 ] - [ -0.0081977700000000, -0.0051311000000000, 0.0108816300000000 ] - [ 0.0021309000000000, -0.0073755000000000, 0.0309835700000000 ] - [ 0.0120412500000000, -0.0131758000000000, 0.0247071800000000 ] - [ 0.0088945600000000, -0.0119327400000000, 0.0257430700000000 ] - [ 0.0119098300000000, -0.0135021200000000, 0.0243800900000000 ] - [ -0.0109840300000000, -0.0135574100000000, -0.0252188300000000 ] - [ -0.0105107400000000, -0.0125163300000000, -0.0241943800000000 ] - [ -0.0437879200000000, -0.0251417700000000, -0.0451835100000000 ] - [ -0.0014853000000000, -0.0147339800000000, -0.0163913300000000 ] - [ -0.0121709800000000, 0.0130023900000000, -0.0254267200000000 ] - [ -0.0106971100000000, 0.0129886700000000, -0.0250624000000000 ] - [ -0.0116291200000000, 0.0127701700000000, -0.0253033900000000 ] - [ -0.0107052200000000, 0.0127340300000000, -0.0245744800000000 ] - [ 0.0116903600000000, 0.0126707900000000, 0.0231934200000000 ] - [ 0.0126752400000000, 0.0127607400000000, 0.0269345900000000 ] - [ 0.0109523700000000, 0.0130039100000000, 0.0244854200000000 ] - [ 0.0109762500000000, 0.0132999400000000, 0.0249126700000000 ] - [ -0.0109633000000000, -0.0206178700000000, -0.0015561500000000 ] - [ -0.0092181200000000, -0.0215091600000000, -0.0021405000000000 ] - [ -0.0180640000000000, -0.0218408800000000, -0.0011126500000000 ] - [ -0.0083523700000000, -0.0204298400000000, -0.0015560700000000 ] - [ 0.0122335300000000, -0.0206418500000000, -0.0006948400000000 ] - [ 0.0109317400000000, -0.0306815400000000, 0.0072242200000000 ] - [ 0.0104953300000000, -0.0204083800000000, 0.0014499600000000 ] - [ 0.0098728800000000, -0.0222448900000000, 0.0029522300000000 ] - [ 0.0045387900000000, 0.0146446100000000, 0.0072138600000000 ] - [ 0.0111114000000000, 0.0221144700000000, 0.0016408300000000 ] - [ 0.0095328200000000, 0.0206067100000000, 0.0021888200000000 ] - [ 0.0099789400000000, 0.0214465800000000, 0.0023658700000000 ] - [ -0.0094080000000000, 0.0209916500000000, -0.0028308500000000 ] - [ -0.0095161600000000, 0.0216388800000000, -0.0019726700000000 ] - [ -0.0076530200000000, 0.0215367000000000, -0.0054976100000000 ] - [ -0.0092138000000000, 0.0219874700000000, -0.0008484400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0132622500000000, -0.1026046400000000, 0.0249231800000000 ] - [ -0.0245985900000000, 0.0176863700000000, 0.0203055600000000 ] - [ -0.0250235100000000, 0.0210761700000000, 0.0209451600000000 ] - [ -0.0249526600000000, 0.0189646500000000, 0.0205366100000000 ] - [ 0.0166415100000000, 0.0230923300000000, -0.0208963800000000 ] - [ 0.0337764000000000, 0.0268169600000000, -0.0203328200000000 ] - [ 0.0307272800000000, 0.0229719100000000, -0.0205647000000000 ] - [ 0.0157818000000000, 0.0270100600000000, -0.0199998200000000 ] - [ 0.0251362200000000, -0.0195176100000000, -0.0209891100000000 ] - [ 0.0251015000000000, -0.0183074300000000, -0.0202022100000000 ] - [ 0.0257972100000000, -0.0222242500000000, -0.0178383900000000 ] - [ 0.0266839600000000, -0.0211034200000000, -0.0241502500000000 ] - [ -0.0249412700000000, -0.0170064200000000, 0.0199531600000000 ] - [ -0.0252165100000000, -0.0172791700000000, 0.0210849200000000 ] - [ -0.0250627400000000, -0.0179157000000000, 0.0204123700000000 ] - [ -0.0253356600000000, -0.0176293300000000, 0.0202024000000000 ] - [ 0.0000870400000000, 0.0001685500000000, -0.0000291300000000 ] - [ -0.0000693000000000, 0.0000196400000000, -0.0000394800000000 ] - [ -0.0016672500000000, -0.0021493400000000, 0.0012943700000000 ] - [ 0.0010501300000000, -0.0014870400000000, 0.0008079900000000 ] - [ -0.0000960200000000, 0.0089779800000000, 0.0090862600000000 ] - [ 0.0000910100000000, 0.0002014400000000, 0.0002620300000000 ] - [ 0.0000804000000000, 0.0033305600000000, -0.0023886600000000 ] - [ -0.0000328100000000, 0.0001615800000000, 0.0000249900000000 ] - [ 0.0011254100000000, 0.0247397300000000, -0.0383689600000000 ] - [ 0.0000011500000000, 0.0002719400000000, 0.0004777800000000 ] - [ 0.0049010600000000, 0.0222888400000000, 0.0129762300000000 ] - [ -0.0003653500000000, 0.0005090900000000, 0.0002086100000000 ] - [ 0.0000989000000000, 0.0022921400000000, 0.0008026400000000 ] - [ 0.0005343900000000, 0.0022422100000000, 0.0008770000000000 ] - [ 0.0025032400000000, -0.0101995400000000, -0.0127670300000000 ] - [ -0.0114919200000000, -0.0242907900000000, -0.0038492200000000 ] - [ -0.0031008700000000, 0.0032688100000000, 0.0157116400000000 ] - [ -0.0069934700000000, 0.0050537800000000, 0.0109881400000000 ] - [ -0.0089111400000000, 0.0041023800000000, 0.0102745000000000 ] - [ -0.0086589200000000, 0.0048417300000000, 0.0106979300000000 ] - [ 0.0083558800000000, 0.0047435600000000, -0.0111031000000000 ] - [ 0.0077671400000000, 0.0035159400000000, -0.0113740400000000 ] - [ 0.0076142400000000, 0.0056434000000000, -0.0097496300000000 ] - [ 0.0129174100000000, 0.0297497600000000, -0.0176871700000000 ] - [ 0.0075131300000000, -0.0057235900000000, -0.0088072200000000 ] - [ 0.0074198700000000, -0.0051646100000000, -0.0107407500000000 ] - [ 0.0080861600000000, -0.0086305400000000, -0.0128078400000000 ] - [ 0.0094760800000000, -0.0052432400000000, -0.0110004600000000 ] - [ -0.0035114800000000, 0.0027870900000000, 0.0076267200000000 ] - [ -0.0098436900000000, -0.0040058600000000, 0.0105273200000000 ] - [ -0.0086002300000000, -0.0060339400000000, 0.0108374300000000 ] - [ -0.0084688700000000, -0.0054493800000000, 0.0107566600000000 ] - [ -0.0025536600000000, 0.0154974300000000, 0.0453004700000000 ] - [ 0.0093833200000000, -0.0126486100000000, 0.0255927400000000 ] - [ 0.0105207800000000, -0.0193882600000000, 0.0204187400000000 ] - [ 0.0120871500000000, -0.0136746100000000, 0.0241321500000000 ] - [ -0.0110512700000000, -0.0142589900000000, -0.0255541900000000 ] - [ -0.0111210800000000, -0.0139760800000000, -0.0252309200000000 ] - [ -0.0035933000000000, -0.0040419300000000, -0.0173866600000000 ] - [ -0.0079856200000000, -0.0096335500000000, -0.0231856700000000 ] - [ -0.0099229700000000, 0.0122688400000000, -0.0254726800000000 ] - [ -0.0102656500000000, 0.0130979600000000, -0.0262391200000000 ] - [ -0.0116892200000000, 0.0118088700000000, -0.0264196500000000 ] - [ -0.0107410600000000, 0.0125609800000000, -0.0240702200000000 ] - [ 0.0117392800000000, 0.0143348800000000, 0.0248118300000000 ] - [ 0.0124023500000000, 0.0151614900000000, 0.0248258100000000 ] - [ 0.0105717500000000, 0.0126219600000000, 0.0245466600000000 ] - [ 0.0107720700000000, 0.0126985800000000, 0.0248439900000000 ] - [ -0.0102111700000000, -0.0232877800000000, -0.0000865300000000 ] - [ -0.0094271100000000, -0.0217007400000000, -0.0019327900000000 ] - [ -0.0204959500000000, -0.0195807200000000, 0.0019364800000000 ] - [ -0.0103345700000000, -0.0212285400000000, -0.0025202600000000 ] - [ 0.0101228200000000, -0.0196922300000000, 0.0026619800000000 ] - [ 0.0043790000000000, -0.0073288500000000, -0.0001191300000000 ] - [ 0.0097709300000000, -0.0222416600000000, 0.0023347800000000 ] - [ 0.0099590100000000, -0.0231127800000000, 0.0025846700000000 ] - [ 0.0095634700000000, 0.0211527000000000, 0.0079414100000000 ] - [ 0.0094775400000000, 0.0217904900000000, 0.0023411800000000 ] - [ 0.0103661000000000, 0.0217072700000000, 0.0018416400000000 ] - [ 0.0097572400000000, 0.0212333500000000, 0.0023327200000000 ] - [ -0.0088899900000000, 0.0198768000000000, -0.0027758300000000 ] - [ -0.0101673200000000, 0.0206451200000000, -0.0026156900000000 ] - [ -0.0128410800000000, 0.0229930200000000, -0.0002093200000000 ] - [ -0.0086458600000000, 0.0217828300000000, -0.0015438300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0365742900000000, 0.1414653200000000, 0.0159370700000000 ] - [ -0.0255005900000000, 0.0196758200000000, 0.0206715900000000 ] - [ -0.0250709900000000, 0.0161398100000000, 0.0202595800000000 ] - [ -0.0251178300000000, 0.0183002100000000, 0.0205723200000000 ] - [ 0.0335660300000000, 0.0141825000000000, -0.0203364100000000 ] - [ 0.0161899900000000, 0.0103910000000000, -0.0208678000000000 ] - [ 0.0193467800000000, 0.0142165100000000, -0.0206659000000000 ] - [ 0.0342192500000000, 0.0102907500000000, -0.0211910300000000 ] - [ 0.0249557300000000, -0.0178137500000000, -0.0201632800000000 ] - [ 0.0249749300000000, -0.0190112200000000, -0.0209003200000000 ] - [ 0.0243212100000000, -0.0150589200000000, -0.0232486100000000 ] - [ 0.0234207300000000, -0.0162433200000000, -0.0168245400000000 ] - [ -0.0251060800000000, -0.0201708100000000, 0.0213280400000000 ] - [ -0.0249098700000000, -0.0198873700000000, 0.0201666000000000 ] - [ -0.0249578000000000, -0.0194281500000000, 0.0207781200000000 ] - [ -0.0248221500000000, -0.0197032300000000, 0.0209567400000000 ] - [ -0.0000655200000000, -0.0001887900000000, 0.0000251800000000 ] - [ 0.0000467200000000, -0.0000360900000000, 0.0000424800000000 ] - [ 0.0017204900000000, 0.0021453900000000, -0.0013408000000000 ] - [ -0.0011016400000000, 0.0014939100000000, -0.0008186000000000 ] - [ 0.0000987800000000, -0.0090298000000000, -0.0092423000000000 ] - [ -0.0000938600000000, -0.0001583000000000, -0.0002733900000000 ] - [ -0.0000721800000000, -0.0033283200000000, 0.0023668400000000 ] - [ 0.0000350000000000, -0.0002054100000000, -0.0000455100000000 ] - [ -0.0011712100000000, -0.0247601600000000, 0.0388251700000000 ] - [ 0.0000146600000000, -0.0002515200000000, -0.0004804600000000 ] - [ -0.0049149300000000, -0.0222759300000000, -0.0128723700000000 ] - [ 0.0003545700000000, -0.0005281400000000, -0.0001849000000000 ] - [ -0.0000879400000000, -0.0023065300000000, -0.0008150100000000 ] - [ -0.0005553100000000, -0.0022527700000000, -0.0008944700000000 ] - [ -0.0026755900000000, 0.0101284000000000, 0.0129572300000000 ] - [ 0.0115674500000000, 0.0243012200000000, 0.0039124800000000 ] - [ -0.0139653800000000, 0.0070876800000000, 0.0060543800000000 ] - [ -0.0098476000000000, 0.0054775600000000, 0.0106129400000000 ] - [ -0.0080327100000000, 0.0065304600000000, 0.0113079800000000 ] - [ -0.0081924200000000, 0.0057167800000000, 0.0109055900000000 ] - [ 0.0084772700000000, 0.0058272100000000, -0.0105055700000000 ] - [ 0.0091173200000000, 0.0070770300000000, -0.0102234000000000 ] - [ 0.0093202100000000, 0.0049891600000000, -0.0118498100000000 ] - [ 0.0035293500000000, -0.0186020000000000, -0.0045851300000000 ] - [ 0.0093799600000000, -0.0048661000000000, -0.0128139100000000 ] - [ 0.0094105200000000, -0.0053932300000000, -0.0108868000000000 ] - [ 0.0088486900000000, -0.0019926700000000, -0.0087983000000000 ] - [ 0.0073952500000000, -0.0053104400000000, -0.0106195100000000 ] - [ -0.0132452200000000, -0.0134710300000000, 0.0137744100000000 ] - [ -0.0071150800000000, -0.0065981700000000, 0.0110447900000000 ] - [ -0.0082396300000000, -0.0045207100000000, 0.0107795900000000 ] - [ -0.0083886900000000, -0.0051136100000000, 0.0108580700000000 ] - [ 0.0250920800000000, -0.0437575100000000, 0.0044827300000000 ] - [ 0.0123714200000000, -0.0136181600000000, 0.0243085300000000 ] - [ 0.0112681000000000, -0.0069406700000000, 0.0293019900000000 ] - [ 0.0096942900000000, -0.0125626200000000, 0.0257289300000000 ] - [ -0.0107089300000000, -0.0119851200000000, -0.0243158500000000 ] - [ -0.0106313300000000, -0.0122755500000000, -0.0246478100000000 ] - [ -0.0178619900000000, -0.0221445300000000, -0.0325852300000000 ] - [ -0.0138487900000000, -0.0165633200000000, -0.0265960200000000 ] - [ -0.0118365700000000, 0.0139631000000000, -0.0244008100000000 ] - [ -0.0114738100000000, 0.0131411900000000, -0.0236445900000000 ] - [ -0.0101079100000000, 0.0144386700000000, -0.0233792100000000 ] - [ -0.0110288200000000, 0.0136955700000000, -0.0257932100000000 ] - [ 0.0100426300000000, 0.0119058900000000, 0.0249996700000000 ] - [ 0.0094073900000000, 0.0110672000000000, 0.0249215200000000 ] - [ 0.0111830600000000, 0.0136210200000000, 0.0253449800000000 ] - [ 0.0109916600000000, 0.0135498700000000, 0.0250373400000000 ] - [ -0.0094816700000000, -0.0196644700000000, -0.0044903900000000 ] - [ -0.0102413800000000, -0.0211639000000000, -0.0025705700000000 ] - [ 0.0003937300000000, -0.0225814400000000, -0.0057477200000000 ] - [ -0.0093274400000000, -0.0216548400000000, -0.0019886600000000 ] - [ 0.0096045000000000, -0.0233938600000000, 0.0018973700000000 ] - [ 0.0151716300000000, -0.0358224000000000, 0.0045622800000000 ] - [ 0.0098930700000000, -0.0206764300000000, 0.0021693500000000 ] - [ 0.0097386300000000, -0.0198372500000000, 0.0019446000000000 ] - [ 0.0101579900000000, 0.0216362400000000, -0.0032999900000000 ] - [ 0.0101634000000000, 0.0210684900000000, 0.0021562700000000 ] - [ 0.0093120000000000, 0.0212847800000000, 0.0026975200000000 ] - [ 0.0099147200000000, 0.0216679200000000, 0.0021747100000000 ] - [ -0.0107991900000000, 0.0230482500000000, -0.0017133000000000 ] - [ -0.0095230100000000, 0.0222855600000000, -0.0018882500000000 ] - [ -0.0069146900000000, 0.0200934100000000, -0.0043403300000000 ] - [ -0.0111011500000000, 0.0212447100000000, -0.0030149000000000 ]- atom: 1 displacement: [ -0.0056150292973469, 0.0000000000000000, 0.0082747474879863 ] forces: - [ 0.0253581600000000, 0.0155155600000000, -0.0495382100000000 ] - [ -0.0275175300000000, 0.0180899300000000, 0.0210203900000000 ] - [ -0.0248809700000000, 0.0188514000000000, 0.0213124900000000 ] - [ -0.0250427500000000, 0.0187884300000000, 0.0206043800000000 ] - [ 0.0221988100000000, 0.0216385600000000, -0.0209225800000000 ] - [ 0.0230134600000000, 0.0128102500000000, -0.0236484500000000 ] - [ 0.0217884700000000, 0.0142893500000000, -0.0210559200000000 ] - [ 0.0228146400000000, 0.0234956800000000, -0.0237955000000000 ] - [ 0.0254846300000000, -0.0191112600000000, -0.0213594700000000 ] - [ 0.0250655900000000, -0.0183916600000000, -0.0203295800000000 ] - [ 0.0269841800000000, -0.0166861500000000, -0.0132006500000000 ] - [ 0.0255787300000000, -0.0226098900000000, -0.0095090500000000 ] - [ -0.0289791000000000, -0.0182149100000000, 0.0247838600000000 ] - [ -0.0239023200000000, -0.0192573800000000, 0.0203455900000000 ] - [ -0.0253440800000000, -0.0183587500000000, 0.0214448600000000 ] - [ -0.0248870600000000, -0.0182993400000000, 0.0204207100000000 ] - [ 0.0000658200000000, 0.0000254900000000, -0.0000390300000000 ] - [ -0.0002725800000000, 0.0001035500000000, 0.0000065400000000 ] - [ -0.0104051300000000, 0.0019116700000000, 0.0071248800000000 ] - [ 0.0008651200000000, -0.0000037600000000, -0.0011656400000000 ] - [ 0.0013610000000000, 0.0078152600000000, 0.0036925900000000 ] - [ -0.0001223800000000, -0.0001059700000000, 0.0000707400000000 ] - [ 0.0002001300000000, -0.0018041200000000, 0.0006891600000000 ] - [ -0.0000156400000000, 0.0001926100000000, -0.0000310700000000 ] - [ 0.0133995600000000, -0.0256215000000000, 0.0020180800000000 ] - [ -0.0012453500000000, 0.0006600100000000, 0.0011061900000000 ] - [ 0.0070301500000000, 0.0175465600000000, 0.0046460300000000 ] - [ -0.0010312800000000, 0.0002905300000000, 0.0007511800000000 ] - [ -0.0004114800000000, 0.0008043000000000, 0.0004074600000000 ] - [ -0.0002865700000000, 0.0006373600000000, -0.0000286400000000 ] - [ -0.0314021600000000, -0.0070990100000000, 0.0187817400000000 ] - [ 0.0112308800000000, 0.0028083800000000, -0.0065835500000000 ] - [ -0.0184569900000000, 0.0171964200000000, 0.0108651700000000 ] - [ -0.0081274900000000, 0.0049943200000000, 0.0110852900000000 ] - [ -0.0091139500000000, 0.0042524700000000, 0.0105756800000000 ] - [ -0.0078341100000000, 0.0049351100000000, 0.0110292800000000 ] - [ 0.0084891800000000, 0.0050900500000000, -0.0109650600000000 ] - [ 0.0082171000000000, 0.0050897200000000, -0.0108321100000000 ] - [ 0.0097238800000000, 0.0049833700000000, -0.0121828900000000 ] - [ 0.0050376500000000, -0.0026972000000000, 0.0011044300000000 ] - [ 0.0093131700000000, -0.0052236900000000, -0.0100622800000000 ] - [ 0.0089898700000000, -0.0053683000000000, -0.0110161800000000 ] - [ 0.0073290800000000, -0.0075632700000000, -0.0108681100000000 ] - [ 0.0094214200000000, -0.0053917500000000, -0.0118578500000000 ] - [ 0.0063527500000000, 0.0004787400000000, 0.0071282100000000 ] - [ -0.0094660800000000, -0.0052606300000000, 0.0106834500000000 ] - [ -0.0083360500000000, -0.0054125700000000, 0.0107759000000000 ] - [ -0.0083662500000000, -0.0054922600000000, 0.0108250900000000 ] - [ 0.0073901900000000, -0.0095826900000000, 0.0328108700000000 ] - [ 0.0116036600000000, -0.0133685600000000, 0.0246563700000000 ] - [ 0.0090968300000000, -0.0130689100000000, 0.0261091500000000 ] - [ 0.0115029600000000, -0.0134027100000000, 0.0247057800000000 ] - [ -0.0113082100000000, -0.0133422100000000, -0.0251863700000000 ] - [ -0.0109948400000000, -0.0129171800000000, -0.0247015500000000 ] - [ -0.0322921500000000, -0.0212230000000000, -0.0319736600000000 ] - [ -0.0064930400000000, -0.0138571100000000, -0.0182084400000000 ] - [ -0.0112369500000000, 0.0148968500000000, -0.0253315700000000 ] - [ -0.0111364100000000, 0.0127037800000000, -0.0258118100000000 ] - [ -0.0110399000000000, 0.0120622300000000, -0.0253687600000000 ] - [ -0.0107038600000000, 0.0136022700000000, -0.0259025400000000 ] - [ 0.0139766100000000, 0.0134575500000000, 0.0225752500000000 ] - [ 0.0094964800000000, 0.0124100800000000, 0.0250886700000000 ] - [ 0.0110272200000000, 0.0130322200000000, 0.0248169000000000 ] - [ 0.0111331200000000, 0.0130102000000000, 0.0250693800000000 ] - [ -0.0112238200000000, -0.0212011900000000, -0.0028670000000000 ] - [ -0.0092102100000000, -0.0215540900000000, -0.0025306300000000 ] - [ -0.0209201400000000, -0.0223585600000000, 0.0092141600000000 ] - [ -0.0092392700000000, -0.0205889200000000, -0.0019834300000000 ] - [ 0.0125908700000000, -0.0202480800000000, 0.0006227600000000 ] - [ 0.0066701700000000, -0.0192355100000000, 0.0097020400000000 ] - [ 0.0103876700000000, -0.0209148200000000, 0.0015866200000000 ] - [ 0.0097567900000000, -0.0218079200000000, 0.0022907400000000 ] - [ 0.0069065900000000, 0.0305458400000000, 0.0016846300000000 ] - [ 0.0110022200000000, 0.0212891600000000, 0.0008337000000000 ] - [ 0.0097558700000000, 0.0209418700000000, 0.0025855800000000 ] - [ 0.0097228700000000, 0.0213111900000000, 0.0022174100000000 ] - [ -0.0092221200000000, 0.0203969800000000, -0.0026234700000000 ] - [ -0.0099824400000000, 0.0217334700000000, -0.0021371700000000 ] - [ -0.0057285500000000, 0.0212123100000000, -0.0046438100000000 ] - [ -0.0111543700000000, 0.0207437300000000, -0.0016073100000000 ]- atom: 1 displacement: [ 0.0056150292973469, 0.0000000000000000, -0.0082747474879863 ] forces: - [ -0.0759938000000000, 0.0211219500000000, 0.0904551000000000 ] - [ -0.0224702400000000, 0.0190843700000000, 0.0202512200000000 ] - [ -0.0252438100000000, 0.0183710800000000, 0.0197674100000000 ] - [ -0.0250470700000000, 0.0186095500000000, 0.0203188100000000 ] - [ 0.0278351000000000, 0.0154493900000000, -0.0202615700000000 ] - [ 0.0270783100000000, 0.0242667400000000, -0.0176403500000000 ] - [ 0.0281377800000000, 0.0232539000000000, -0.0200183300000000 ] - [ 0.0274245500000000, 0.0140031100000000, -0.0173292800000000 ] - [ 0.0246677100000000, -0.0182772300000000, -0.0196840000000000 ] - [ 0.0250114400000000, -0.0188840600000000, -0.0206192200000000 ] - [ 0.0231994900000000, -0.0204010400000000, -0.0280755600000000 ] - [ 0.0243434600000000, -0.0146116400000000, -0.0318897100000000 ] - [ -0.0210941900000000, -0.0193643600000000, 0.0162714400000000 ] - [ -0.0261860000000000, -0.0181916100000000, 0.0207966100000000 ] - [ -0.0245466100000000, -0.0187265900000000, 0.0197735300000000 ] - [ -0.0253551400000000, -0.0188253400000000, 0.0207754200000000 ] - [ -0.0000194200000000, -0.0000322300000000, 0.0000222300000000 ] - [ 0.0002307800000000, -0.0001022900000000, 0.0000012600000000 ] - [ 0.0102525800000000, -0.0018783500000000, -0.0070613000000000 ] - [ -0.0009304600000000, 0.0000120700000000, 0.0011937000000000 ] - [ -0.0014091600000000, -0.0079929400000000, -0.0036825300000000 ] - [ 0.0001464100000000, 0.0000047200000000, -0.0000753800000000 ] - [ -0.0002229800000000, 0.0019219700000000, -0.0006310600000000 ] - [ 0.0000220600000000, -0.0000797500000000, -0.0000182500000000 ] - [ -0.0132408300000000, 0.0255428800000000, -0.0022485400000000 ] - [ 0.0012144600000000, -0.0006895600000000, -0.0011058500000000 ] - [ -0.0070308300000000, -0.0175008100000000, -0.0046770600000000 ] - [ 0.0010056700000000, -0.0002700200000000, -0.0007627000000000 ] - [ 0.0004285100000000, -0.0008183900000000, -0.0003868800000000 ] - [ 0.0002837900000000, -0.0006073400000000, 0.0000286900000000 ] - [ 0.0316204000000000, 0.0071789200000000, -0.0187094700000000 ] - [ -0.0109697000000000, -0.0028974100000000, 0.0066686400000000 ] - [ 0.0011734700000000, -0.0068421500000000, 0.0110997400000000 ] - [ -0.0087501500000000, 0.0055832300000000, 0.0105172600000000 ] - [ -0.0078589100000000, 0.0063917700000000, 0.0109847400000000 ] - [ -0.0089781900000000, 0.0055931700000000, 0.0106085200000000 ] - [ 0.0085165500000000, 0.0055754400000000, -0.0106048200000000 ] - [ 0.0088032200000000, 0.0055847500000000, -0.0107295300000000 ] - [ 0.0070316100000000, 0.0055195700000000, -0.0094905500000000 ] - [ 0.0114735100000000, 0.0132473600000000, -0.0228374100000000 ] - [ 0.0075808900000000, -0.0053895400000000, -0.0115014500000000 ] - [ 0.0078945500000000, -0.0052030800000000, -0.0105918600000000 ] - [ 0.0096412400000000, -0.0030811500000000, -0.0106834800000000 ] - [ 0.0074247200000000, -0.0051444800000000, -0.0097765200000000 ] - [ -0.0229152600000000, -0.0111440900000000, 0.0139949700000000 ] - [ -0.0073444900000000, -0.0052159600000000, 0.0109219800000000 ] - [ -0.0086744200000000, -0.0052555400000000, 0.0107881100000000 ] - [ -0.0086497100000000, -0.0051853500000000, 0.0107346400000000 ] - [ 0.0144105900000000, -0.0167842700000000, 0.0171813900000000 ] - [ 0.0101927600000000, -0.0128700600000000, 0.0251737200000000 ] - [ 0.0126985700000000, -0.0131583800000000, 0.0236707700000000 ] - [ 0.0102797200000000, -0.0128509800000000, 0.0251892700000000 ] - [ -0.0105126000000000, -0.0128866500000000, -0.0245739300000000 ] - [ -0.0108266800000000, -0.0133167000000000, -0.0250504900000000 ] - [ 0.0116054700000000, -0.0046980500000000, -0.0179525600000000 ] - [ -0.0151885100000000, -0.0124004800000000, -0.0316340600000000 ] - [ -0.0105387600000000, 0.0113664600000000, -0.0245116200000000 ] - [ -0.0106405000000000, 0.0135403500000000, -0.0240071400000000 ] - [ -0.0107510200000000, 0.0141472100000000, -0.0243846700000000 ] - [ -0.0110518500000000, 0.0126348100000000, -0.0239946800000000 ] - [ 0.0077422800000000, 0.0128142800000000, 0.0273704500000000 ] - [ 0.0122548700000000, 0.0138502200000000, 0.0247992100000000 ] - [ 0.0107941800000000, 0.0131876500000000, 0.0249233900000000 ] - [ 0.0106784800000000, 0.0132090100000000, 0.0246854000000000 ] - [ -0.0084953600000000, -0.0217840000000000, -0.0016567300000000 ] - [ -0.0104586300000000, -0.0213842700000000, -0.0019881700000000 ] - [ 0.0010157800000000, -0.0199156100000000, -0.0132194900000000 ] - [ -0.0104116300000000, -0.0222444200000000, -0.0024900000000000 ] - [ 0.0070263700000000, -0.0225983000000000, 0.0038611600000000 ] - [ 0.0127494400000000, -0.0235863200000000, -0.0053116200000000 ] - [ 0.0093589000000000, -0.0221913100000000, 0.0029798900000000 ] - [ 0.0099962300000000, -0.0213299300000000, 0.0022909300000000 ] - [ 0.0127728200000000, 0.0124392500000000, 0.0029506000000000 ] - [ 0.0087161800000000, 0.0216611400000000, 0.0036925600000000 ] - [ 0.0099478000000000, 0.0221083600000000, 0.0019870900000000 ] - [ 0.0099236200000000, 0.0215218900000000, 0.0022647200000000 ] - [ -0.0105361700000000, 0.0227269800000000, -0.0019443300000000 ] - [ -0.0097763800000000, 0.0213810500000000, -0.0024371600000000 ] - [ -0.0139535600000000, 0.0216121800000000, 0.0001634800000000 ] - [ -0.0085332900000000, 0.0220952400000000, -0.0029087300000000 ]- atom: 17 displacement: [ 0.0099999992747705, 0.0000000000000000, 0.0000038084890379 ] forces: - [ -0.0249400600000000, 0.0186028800000000, 0.0208745500000000 ] - [ -0.0248628200000000, 0.0185970600000000, 0.0205038200000000 ] - [ -0.0177473600000000, 0.0169216000000000, 0.0131252000000000 ] - [ -0.0192898600000000, 0.0196568700000000, 0.0255347900000000 ] - [ 0.0250678900000000, 0.0185998100000000, -0.0205239500000000 ] - [ 0.0221707800000000, 0.0186392500000000, -0.0208503600000000 ] - [ 0.0251345100000000, 0.0187142900000000, -0.0203779900000000 ] - [ 0.0243635100000000, 0.0187130200000000, -0.0207005400000000 ] - [ 0.0308670000000000, -0.0174602500000000, -0.0156941100000000 ] - [ 0.0322753800000000, -0.0203490300000000, -0.0280327600000000 ] - [ 0.0252169700000000, -0.0186594000000000, -0.0209285400000000 ] - [ 0.0251274200000000, -0.0185000500000000, -0.0205971000000000 ] - [ -0.0256645800000000, -0.0187631800000000, 0.0202099600000000 ] - [ -0.0250603600000000, -0.0187584200000000, 0.0205150600000000 ] - [ -0.0279918100000000, -0.0185774400000000, 0.0200748600000000 ] - [ -0.0249314000000000, -0.0186574800000000, 0.0204596700000000 ] - [ -0.0555794000000000, 0.0047699400000000, -0.0005774900000000 ] - [ 0.0001582100000000, -0.0000047800000000, 0.0000446700000000 ] - [ 0.0000136200000000, 0.0000189200000000, -0.0000182100000000 ] - [ -0.0001288100000000, 0.0000161300000000, 0.0000332200000000 ] - [ -0.0000322800000000, -0.0000279400000000, -0.0000613500000000 ] - [ 0.0000746100000000, -0.0000380200000000, 0.0000205200000000 ] - [ -0.0000507300000000, 0.0000246100000000, -0.0000908500000000 ] - [ 0.0000682800000000, 0.0000195100000000, 0.0000519700000000 ] - [ 0.0036404200000000, 0.0055185000000000, 0.0005216600000000 ] - [ 0.0027819400000000, -0.0036040600000000, 0.0003836800000000 ] - [ 0.0027704500000000, -0.0036117600000000, 0.0003777200000000 ] - [ 0.0036543300000000, 0.0055301200000000, 0.0005391700000000 ] - [ -0.0005100200000000, 0.0002874000000000, 0.0016140300000000 ] - [ -0.0005101100000000, 0.0002838400000000, 0.0016373100000000 ] - [ 0.0000088800000000, 0.0000559500000000, -0.0000299800000000 ] - [ 0.0000059600000000, 0.0000534100000000, -0.0000328600000000 ] - [ -0.0084639500000000, 0.0049065200000000, 0.0107518700000000 ] - [ -0.0081143900000000, 0.0052411900000000, 0.0108769700000000 ] - [ -0.0044059300000000, 0.0002557600000000, 0.0090612000000000 ] - [ -0.0089172200000000, 0.0048678400000000, 0.0106634200000000 ] - [ 0.0082074700000000, 0.0053034300000000, -0.0111991800000000 ] - [ 0.0087548800000000, 0.0052549900000000, -0.0101111200000000 ] - [ 0.0083887600000000, 0.0052471900000000, -0.0107652200000000 ] - [ 0.0083906100000000, 0.0052486000000000, -0.0107589100000000 ] - [ 0.0080579400000000, -0.0057916500000000, -0.0108972100000000 ] - [ 0.0124459300000000, -0.0101235200000000, -0.0124681300000000 ] - [ 0.0088294100000000, -0.0053863600000000, -0.0107079700000000 ] - [ 0.0085089200000000, -0.0057466400000000, -0.0108200800000000 ] - [ -0.0083750400000000, -0.0052578500000000, 0.0108991100000000 ] - [ -0.0083737200000000, -0.0052642800000000, 0.0108844100000000 ] - [ -0.0081122700000000, -0.0053133800000000, 0.0115114000000000 ] - [ -0.0086620000000000, -0.0052584700000000, 0.0104262000000000 ] - [ 0.0104963600000000, -0.0136793100000000, 0.0250441300000000 ] - [ 0.0108305100000000, -0.0127435700000000, 0.0246134100000000 ] - [ 0.0105115300000000, -0.0126148300000000, 0.0249178900000000 ] - [ 0.0105021500000000, -0.0140048900000000, 0.0246798500000000 ] - [ -0.0116223000000000, -0.0134031900000000, -0.0250105600000000 ] - [ -0.0071784700000000, -0.0137757200000000, -0.0199339800000000 ] - [ -0.0109016200000000, -0.0131718600000000, -0.0250221100000000 ] - [ -0.0108791700000000, -0.0131466400000000, -0.0249273000000000 ] - [ -0.0113027300000000, 0.0122164200000000, -0.0250596700000000 ] - [ -0.0112692600000000, 0.0136202500000000, -0.0249021700000000 ] - [ -0.0109515400000000, 0.0134928100000000, -0.0252118300000000 ] - [ -0.0113188200000000, 0.0125448200000000, -0.0246986300000000 ] - [ 0.0108457500000000, 0.0131092000000000, 0.0250689600000000 ] - [ 0.0108222600000000, 0.0130940700000000, 0.0249717500000000 ] - [ 0.0145536500000000, 0.0124725900000000, 0.0299751900000000 ] - [ 0.0101625000000000, 0.0128397800000000, 0.0248681800000000 ] - [ -0.0020901000000000, -0.0194412200000000, -0.0047729600000000 ] - [ -0.0108772400000000, -0.0200799100000000, -0.0023647400000000 ] - [ -0.0100905300000000, -0.0213862600000000, -0.0023183500000000 ] - [ -0.0100603500000000, -0.0215544900000000, -0.0020767900000000 ] - [ 0.0097754500000000, -0.0213831400000000, 0.0022217300000000 ] - [ 0.0098018100000000, -0.0213455900000000, 0.0022438700000000 ] - [ 0.0095386500000000, -0.0212249000000000, 0.0018814100000000 ] - [ 0.0103209900000000, -0.0217314500000000, 0.0025905600000000 ] - [ 0.0096852000000000, 0.0215281300000000, 0.0024905600000000 ] - [ 0.0096343900000000, 0.0216609800000000, 0.0022379100000000 ] - [ 0.0088251800000000, 0.0229853400000000, 0.0021954300000000 ] - [ 0.0171329200000000, 0.0232123300000000, -0.0000729500000000 ] - [ -0.0093661000000000, 0.0212028500000000, -0.0019149200000000 ] - [ -0.0101527900000000, 0.0217098600000000, -0.0026391000000000 ] - [ -0.0098097700000000, 0.0214170900000000, -0.0022053700000000 ] - [ -0.0098284600000000, 0.0213857700000000, -0.0022219700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0249891500000000, 0.0187056300000000, 0.0207301300000000 ] - [ -0.0251171400000000, 0.0186370900000000, 0.0206219200000000 ] - [ -0.0267434100000000, 0.0165746300000000, 0.0217447700000000 ] - [ -0.0239852100000000, 0.0171997200000000, 0.0212368600000000 ] - [ 0.0250938600000000, 0.0188121500000000, -0.0204253700000000 ] - [ 0.0259055500000000, 0.0277116800000000, -0.0296669600000000 ] - [ 0.0249722900000000, 0.0188425600000000, -0.0207567900000000 ] - [ 0.0249596800000000, 0.0219330200000000, -0.0184171100000000 ] - [ 0.0260808100000000, -0.0200357600000000, -0.0199110300000000 ] - [ 0.0233814700000000, -0.0207786100000000, -0.0193856000000000 ] - [ 0.0249695100000000, -0.0186720500000000, -0.0205653200000000 ] - [ 0.0250802400000000, -0.0184920700000000, -0.0204851200000000 ] - [ -0.0250703500000000, -0.0153596400000000, 0.0227553400000000 ] - [ -0.0251728900000000, -0.0185013300000000, 0.0203614100000000 ] - [ -0.0242509100000000, -0.0096277300000000, 0.0116230600000000 ] - [ -0.0249236000000000, -0.0184235300000000, 0.0207487900000000 ] - [ 0.0048019000000000, -0.0587555400000000, 0.0137815300000000 ] - [ -0.0000206800000000, -0.0000508000000000, 0.0000279900000000 ] - [ 0.0000369100000000, 0.0000936500000000, 0.0000101600000000 ] - [ -0.0000125600000000, -0.0001459500000000, 0.0000177800000000 ] - [ -0.0000023900000000, -0.0000249400000000, 0.0000125000000000 ] - [ 0.0000147000000000, -0.0000093200000000, -0.0000105700000000 ] - [ -0.0000057700000000, 0.0000044100000000, -0.0000046500000000 ] - [ 0.0000134700000000, 0.0000214200000000, 0.0000066900000000 ] - [ 0.0036428400000000, 0.0035999500000000, 0.0001596900000000 ] - [ -0.0053374700000000, 0.0040859000000000, -0.0004471800000000 ] - [ -0.0053334900000000, 0.0040782500000000, -0.0004666000000000 ] - [ 0.0036231000000000, 0.0036122100000000, 0.0001689000000000 ] - [ 0.0001352100000000, -0.0009453100000000, 0.0000004600000000 ] - [ 0.0001290700000000, -0.0009471700000000, 0.0000165400000000 ] - [ -0.0000840200000000, 0.0003702700000000, -0.0000149400000000 ] - [ -0.0000887100000000, 0.0003732000000000, -0.0000189600000000 ] - [ -0.0093217700000000, 0.0047711900000000, 0.0106727000000000 ] - [ -0.0084035100000000, 0.0052030600000000, 0.0107277800000000 ] - [ -0.0118355300000000, 0.0156531200000000, 0.0132016300000000 ] - [ -0.0088233500000000, 0.0049233100000000, 0.0106381200000000 ] - [ 0.0084029100000000, 0.0054466300000000, -0.0107985100000000 ] - [ 0.0084844500000000, 0.0056533700000000, -0.0105417400000000 ] - [ 0.0084447600000000, 0.0052168200000000, -0.0107603400000000 ] - [ 0.0084482300000000, 0.0050744000000000, -0.0109088100000000 ] - [ 0.0081067300000000, -0.0056935700000000, -0.0109485800000000 ] - [ 0.0045349600000000, 0.0058055800000000, -0.0082703200000000 ] - [ 0.0084608000000000, -0.0053718900000000, -0.0108873600000000 ] - [ 0.0076225600000000, -0.0058399800000000, -0.0109113500000000 ] - [ -0.0083978300000000, -0.0054886800000000, 0.0107173100000000 ] - [ -0.0084019000000000, -0.0053437900000000, 0.0108648200000000 ] - [ -0.0084319400000000, -0.0049589100000000, 0.0110540400000000 ] - [ -0.0085103600000000, -0.0051641500000000, 0.0108003400000000 ] - [ 0.0106418300000000, -0.0134835300000000, 0.0250086300000000 ] - [ 0.0118651800000000, -0.0137309700000000, 0.0249368600000000 ] - [ 0.0114526600000000, -0.0133507300000000, 0.0248774100000000 ] - [ 0.0099016200000000, -0.0136447300000000, 0.0249183500000000 ] - [ -0.0107730400000000, -0.0129017400000000, -0.0249107700000000 ] - [ -0.0113144800000000, -0.0113844800000000, -0.0269268600000000 ] - [ -0.0108907300000000, -0.0131267400000000, -0.0249304500000000 ] - [ -0.0109325200000000, -0.0133561200000000, -0.0250707800000000 ] - [ -0.0118950700000000, 0.0125879300000000, -0.0248855500000000 ] - [ -0.0103165800000000, 0.0128976400000000, -0.0249808300000000 ] - [ -0.0099202900000000, 0.0125226600000000, -0.0249217100000000 ] - [ -0.0111459200000000, 0.0127464200000000, -0.0247999900000000 ] - [ 0.0108270500000000, 0.0128949000000000, 0.0248250700000000 ] - [ 0.0108716900000000, 0.0131261300000000, 0.0249635400000000 ] - [ 0.0104418400000000, 0.0148840800000000, 0.0228019500000000 ] - [ 0.0110124800000000, 0.0133379200000000, 0.0249132200000000 ] - [ -0.0060855100000000, -0.0178294500000000, -0.0042805600000000 ] - [ -0.0092093400000000, -0.0215390800000000, -0.0020908600000000 ] - [ -0.0096107400000000, -0.0218140000000000, -0.0022944300000000 ] - [ -0.0099684700000000, -0.0210523600000000, -0.0020718700000000 ] - [ 0.0097784200000000, -0.0215356800000000, 0.0021842700000000 ] - [ 0.0096800600000000, -0.0223420300000000, 0.0027583000000000 ] - [ 0.0098160600000000, -0.0214055800000000, 0.0021515700000000 ] - [ 0.0097636700000000, -0.0210984200000000, 0.0016468500000000 ] - [ 0.0097405400000000, 0.0219497600000000, 0.0024618000000000 ] - [ 0.0100571000000000, 0.0210853700000000, 0.0022106300000000 ] - [ 0.0104538800000000, 0.0213585700000000, 0.0024183500000000 ] - [ 0.0133651800000000, 0.0250204900000000, 0.0003273500000000 ] - [ -0.0099374300000000, 0.0218948100000000, -0.0028892200000000 ] - [ -0.0098889100000000, 0.0215876400000000, -0.0023815400000000 ] - [ -0.0099793500000000, 0.0205664700000000, -0.0017513600000000 ] - [ -0.0098829700000000, 0.0213623800000000, -0.0023154000000000 ]- atom: 17 displacement: [ -0.0056150292973469, 0.0000000000000000, 0.0082747474879863 ] forces: - [ -0.0251678800000000, 0.0186143000000000, 0.0204880100000000 ] - [ -0.0250601300000000, 0.0185627100000000, 0.0208111200000000 ] - [ -0.0353620300000000, 0.0206066800000000, 0.0276737700000000 ] - [ -0.0239891200000000, 0.0186674600000000, 0.0195396900000000 ] - [ 0.0250346100000000, 0.0185660200000000, -0.0203290300000000 ] - [ 0.0261411800000000, 0.0109980700000000, -0.0170480800000000 ] - [ 0.0250392700000000, 0.0186244500000000, -0.0204207800000000 ] - [ 0.0252999300000000, 0.0206741600000000, -0.0198595200000000 ] - [ 0.0260607600000000, -0.0185940600000000, -0.0217675200000000 ] - [ 0.0145152300000000, -0.0165291800000000, -0.0135406200000000 ] - [ 0.0250089500000000, -0.0186040400000000, -0.0204932700000000 ] - [ 0.0249139500000000, -0.0186341900000000, -0.0207983300000000 ] - [ -0.0248197500000000, -0.0166474000000000, 0.0211344400000000 ] - [ -0.0250007900000000, -0.0187075800000000, 0.0205978000000000 ] - [ -0.0238754900000000, -0.0264123300000000, 0.0239672700000000 ] - [ -0.0250936500000000, -0.0187865900000000, 0.0206681900000000 ] - [ 0.0307631600000000, 0.0087323800000000, -0.0637480700000000 ] - [ -0.0000694700000000, 0.0000021000000000, -0.0001493900000000 ] - [ -0.0000315400000000, 0.0000227800000000, -0.0000044500000000 ] - [ 0.0001145600000000, 0.0000012400000000, -0.0000104400000000 ] - [ -0.0001160500000000, 0.0000026300000000, 0.0000905100000000 ] - [ 0.0000624600000000, 0.0000017000000000, 0.0000333700000000 ] - [ -0.0001104700000000, 0.0000004900000000, 0.0001027800000000 ] - [ 0.0000673700000000, -0.0000041600000000, 0.0000164400000000 ] - [ -0.0026372100000000, -0.0037061900000000, -0.0012160900000000 ] - [ -0.0022635700000000, 0.0024407100000000, -0.0010253300000000 ] - [ -0.0022871700000000, 0.0024484400000000, -0.0010228000000000 ] - [ -0.0026395300000000, -0.0036809100000000, -0.0012149800000000 ] - [ -0.0001673300000000, -0.0001218000000000, 0.0062812700000000 ] - [ -0.0002046500000000, -0.0001176300000000, 0.0062880900000000 ] - [ 0.0001559100000000, -0.0002623100000000, 0.0002247600000000 ] - [ 0.0001588200000000, -0.0002602300000000, 0.0002177500000000 ] - [ -0.0081648300000000, 0.0056334100000000, 0.0111606500000000 ] - [ -0.0085118700000000, 0.0052599400000000, 0.0108611900000000 ] - [ -0.0114601100000000, 0.0092314800000000, 0.0139001500000000 ] - [ -0.0082394000000000, 0.0056677200000000, 0.0110305700000000 ] - [ 0.0082194000000000, 0.0051981400000000, -0.0113590400000000 ] - [ 0.0085317200000000, 0.0054530300000000, -0.0122167800000000 ] - [ 0.0083639800000000, 0.0052566900000000, -0.0109230000000000 ] - [ 0.0084359400000000, 0.0052470800000000, -0.0108847600000000 ] - [ 0.0087103000000000, -0.0049505500000000, -0.0105534500000000 ] - [ 0.0054008700000000, -0.0012344700000000, -0.0076972200000000 ] - [ 0.0084285600000000, -0.0053701800000000, -0.0107281000000000 ] - [ 0.0087871800000000, -0.0049964000000000, -0.0104193600000000 ] - [ -0.0083833500000000, -0.0052932900000000, 0.0107439900000000 ] - [ -0.0084529100000000, -0.0052816800000000, 0.0107126400000000 ] - [ -0.0083264300000000, -0.0051030600000000, 0.0094083500000000 ] - [ -0.0086211000000000, -0.0053662700000000, 0.0102579900000000 ] - [ 0.0111964600000000, -0.0128216300000000, 0.0247828900000000 ] - [ 0.0105910300000000, -0.0131576200000000, 0.0253074400000000 ] - [ 0.0112172500000000, -0.0136508800000000, 0.0250558700000000 ] - [ 0.0105733800000000, -0.0130614700000000, 0.0254367000000000 ] - [ -0.0101451300000000, -0.0126650200000000, -0.0250875600000000 ] - [ -0.0071168700000000, -0.0152041700000000, -0.0124241900000000 ] - [ -0.0108822400000000, -0.0131300200000000, -0.0249887000000000 ] - [ -0.0108957600000000, -0.0131540800000000, -0.0250583800000000 ] - [ -0.0112273000000000, 0.0131793400000000, -0.0243514000000000 ] - [ -0.0105872900000000, 0.0125806600000000, -0.0247165500000000 ] - [ -0.0112159800000000, 0.0130697300000000, -0.0244696900000000 ] - [ -0.0106064800000000, 0.0134008400000000, -0.0249998800000000 ] - [ 0.0108550400000000, 0.0131098600000000, 0.0248530500000000 ] - [ 0.0108721800000000, 0.0131298100000000, 0.0249247000000000 ] - [ 0.0148980500000000, 0.0109639700000000, 0.0379889900000000 ] - [ 0.0116379700000000, 0.0135927700000000, 0.0247947300000000 ] - [ -0.0148777200000000, -0.0229638100000000, 0.0015209900000000 ] - [ -0.0093077600000000, -0.0220762300000000, -0.0018936600000000 ] - [ -0.0096302200000000, -0.0216235000000000, -0.0021800200000000 ] - [ -0.0096637300000000, -0.0214294200000000, -0.0022677400000000 ] - [ 0.0098212000000000, -0.0214458900000000, 0.0022038900000000 ] - [ 0.0099834600000000, -0.0209463300000000, 0.0019164900000000 ] - [ 0.0098582500000000, -0.0212652300000000, 0.0017175100000000 ] - [ 0.0096941900000000, -0.0216355300000000, 0.0009826800000000 ] - [ 0.0100506300000000, 0.0215754500000000, 0.0022677600000000 ] - [ 0.0100876200000000, 0.0213991300000000, 0.0023623100000000 ] - [ 0.0104097600000000, 0.0209384400000000, 0.0026429800000000 ] - [ 0.0045397700000000, 0.0197793500000000, 0.0060923700000000 ] - [ -0.0099736400000000, 0.0212460700000000, -0.0035270600000000 ] - [ -0.0097933000000000, 0.0216221800000000, -0.0027791400000000 ] - [ -0.0096792800000000, 0.0219478700000000, -0.0025841900000000 ] - [ -0.0098418200000000, 0.0214460800000000, -0.0023036000000000 ]- atom: 25 displacement: [ 0.0099999992747705, 0.0000000000000000, 0.0000038084890379 ] forces: - [ -0.0459331600000000, 0.0198474700000000, 0.0223938100000000 ] - [ -0.0226209800000000, 0.0186915400000000, 0.0207434100000000 ] - [ -0.0312220300000000, 0.0235739300000000, 0.0247978000000000 ] - [ -0.0232521500000000, 0.0182616700000000, 0.0205499700000000 ] - [ 0.0479689200000000, 0.0160457000000000, -0.0432889600000000 ] - [ 0.0471849200000000, 0.0300677600000000, 0.0077387900000000 ] - [ 0.0254170600000000, 0.0185809000000000, -0.0208242600000000 ] - [ 0.0256788300000000, 0.0181005800000000, -0.0204825900000000 ] - [ 0.0040768100000000, -0.0175935000000000, -0.0185587300000000 ] - [ 0.0274582600000000, -0.0187102500000000, -0.0204098900000000 ] - [ 0.0188311000000000, -0.0137338000000000, -0.0162524700000000 ] - [ 0.0268470900000000, -0.0189778900000000, -0.0205856700000000 ] - [ -0.0023484800000000, -0.0212665900000000, -0.0019196200000000 ] - [ -0.0026331500000000, -0.0070364300000000, 0.0493081300000000 ] - [ -0.0247718700000000, -0.0187145900000000, 0.0202692200000000 ] - [ -0.0243434900000000, -0.0191584100000000, 0.0207092500000000 ] - [ 0.0036096600000000, 0.0036088800000000, -0.0006910800000000 ] - [ 0.0028166300000000, -0.0053950800000000, -0.0008698800000000 ] - [ 0.0027406100000000, -0.0052797800000000, -0.0008622600000000 ] - [ 0.0036819400000000, 0.0036600600000000, -0.0007366900000000 ] - [ -0.0005205500000000, -0.0001553600000000, -0.0005735300000000 ] - [ -0.0004925600000000, -0.0001408800000000, -0.0005585000000000 ] - [ 0.0000007000000000, 0.0001022500000000, 0.0001881900000000 ] - [ 0.0000083900000000, 0.0001029800000000, 0.0002030900000000 ] - [ -0.3407891900000000, 0.0158913100000000, 0.0038346600000000 ] - [ 0.0143139500000000, -0.0020083300000000, -0.0025248100000000 ] - [ -0.0031926300000000, 0.0040123700000000, -0.0041391800000000 ] - [ 0.0015718800000000, 0.0009831100000000, 0.0004074200000000 ] - [ 0.0009803400000000, -0.0009209600000000, -0.0065452500000000 ] - [ 0.0009973800000000, 0.0011988300000000, 0.0073130600000000 ] - [ 0.0009668600000000, -0.0009547100000000, -0.0065765100000000 ] - [ 0.0008399700000000, 0.0012593200000000, 0.0073017100000000 ] - [ 0.0729806300000000, -0.0359557000000000, 0.0119858100000000 ] - [ -0.0188040400000000, 0.0041094700000000, 0.0129933600000000 ] - [ -0.0081431000000000, 0.0026994000000000, 0.0119533100000000 ] - [ -0.0096125800000000, 0.0058394400000000, 0.0107455400000000 ] - [ 0.0078496800000000, 0.0062488800000000, -0.0084674900000000 ] - [ 0.0097597000000000, 0.0049121700000000, -0.0155322000000000 ] - [ 0.0093756600000000, 0.0053160900000000, -0.0107889300000000 ] - [ 0.0099002900000000, 0.0046331900000000, -0.0095237400000000 ] - [ 0.0933298300000000, -0.0495844100000000, -0.0086268800000000 ] - [ -0.0017813900000000, -0.0064438500000000, -0.0085416600000000 ] - [ 0.0086586500000000, -0.0078774000000000, -0.0096118300000000 ] - [ 0.0073420500000000, -0.0048161600000000, -0.0107637000000000 ] - [ -0.0090995900000000, -0.0043751200000000, 0.0132036100000000 ] - [ -0.0070265000000000, -0.0056545600000000, 0.0060023900000000 ] - [ -0.0075936000000000, -0.0052638100000000, 0.0107755100000000 ] - [ -0.0070344900000000, -0.0059504900000000, 0.0120451500000000 ] - [ 0.0448478100000000, -0.0137907700000000, -0.0022069900000000 ] - [ 0.0048743800000000, -0.0118675500000000, 0.0262666400000000 ] - [ 0.0116573000000000, -0.0148937500000000, 0.0260257000000000 ] - [ 0.0108412200000000, -0.0133620200000000, 0.0247358100000000 ] - [ -0.0109057000000000, -0.0084905800000000, -0.0182917400000000 ] - [ -0.0153732900000000, -0.0177746900000000, -0.0270030200000000 ] - [ -0.0101250300000000, -0.0148430300000000, -0.0212991600000000 ] - [ -0.0126026000000000, -0.0116576100000000, -0.0281777000000000 ] - [ 0.0234513100000000, 0.0123906300000000, -0.0516306200000000 ] - [ -0.0168631600000000, 0.0143926900000000, -0.0236334800000000 ] - [ -0.0100324300000000, 0.0113775500000000, -0.0238979600000000 ] - [ -0.0108837900000000, 0.0128643100000000, -0.0251210400000000 ] - [ 0.0108387800000000, 0.0177175000000000, 0.0315225000000000 ] - [ 0.0062459600000000, 0.0084184400000000, 0.0228248800000000 ] - [ 0.0115949800000000, 0.0113766900000000, 0.0285899000000000 ] - [ 0.0090846200000000, 0.0146369200000000, 0.0216190000000000 ] - [ 0.0305093700000000, 0.0020056500000000, 0.0071431100000000 ] - [ -0.0150969900000000, -0.0205631100000000, -0.0011525100000000 ] - [ -0.0068162900000000, -0.0203463600000000, -0.0018759500000000 ] - [ -0.0108230500000000, -0.0219621300000000, -0.0021524300000000 ] - [ 0.0086491200000000, -0.0236001300000000, 0.0065257300000000 ] - [ 0.0102086100000000, -0.0199601100000000, -0.0057498900000000 ] - [ 0.0092542700000000, -0.0205181200000000, 0.0021779500000000 ] - [ 0.0086818000000000, -0.0217498300000000, 0.0011813900000000 ] - [ 0.0502315400000000, 0.0461134900000000, 0.0120292200000000 ] - [ 0.0046849500000000, 0.0223952300000000, 0.0034318100000000 ] - [ 0.0128872600000000, 0.0227057600000000, 0.0026944000000000 ] - [ 0.0088699200000000, 0.0210598800000000, 0.0024292100000000 ] - [ -0.0109575600000000, 0.0193708700000000, 0.0019736200000000 ] - [ -0.0095396800000000, 0.0230954300000000, -0.0104086300000000 ] - [ -0.0104020400000000, 0.0224333400000000, -0.0023572200000000 ] - [ -0.0109638300000000, 0.0212462100000000, -0.0034194400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0260025600000000, 0.0433987900000000, -0.0111983600000000 ] - [ -0.0256867000000000, 0.0189153800000000, 0.0210328800000000 ] - [ -0.0309192600000000, 0.0408294700000000, 0.0376337700000000 ] - [ -0.0251434800000000, 0.0191713900000000, 0.0208005100000000 ] - [ 0.0241205600000000, 0.0084789300000000, -0.0125785100000000 ] - [ 0.0319964700000000, -0.0056771700000000, -0.0193514800000000 ] - [ 0.0254074300000000, 0.0209271600000000, -0.0213461400000000 ] - [ 0.0253528200000000, 0.0209930200000000, -0.0210647400000000 ] - [ 0.0240340900000000, 0.0060589600000000, -0.0519624600000000 ] - [ 0.0244837400000000, -0.0183988500000000, -0.0201054000000000 ] - [ 0.0190668300000000, 0.0037779600000000, -0.0033299600000000 ] - [ 0.0250187000000000, -0.0181229200000000, -0.0203168000000000 ] - [ -0.0259030400000000, -0.0287890200000000, 0.0286396400000000 ] - [ -0.0180504700000000, -0.0430869200000000, 0.0218744100000000 ] - [ -0.0246899200000000, -0.0163469100000000, 0.0198556500000000 ] - [ -0.0247271900000000, -0.0163276300000000, 0.0200300500000000 ] - [ 0.0054893600000000, 0.0035791800000000, -0.0007162200000000 ] - [ -0.0035825400000000, 0.0040646900000000, 0.0005048000000000 ] - [ -0.0036299600000000, 0.0040950100000000, 0.0005412100000000 ] - [ 0.0055565400000000, 0.0036356600000000, -0.0007545600000000 ] - [ -0.0002715500000000, -0.0009685900000000, -0.0000360600000000 ] - [ -0.0003026500000000, -0.0009724000000000, -0.0000730200000000 ] - [ -0.0000340300000000, 0.0003973600000000, 0.0002823300000000 ] - [ -0.0000721800000000, 0.0003951400000000, 0.0002779100000000 ] - [ 0.0158424700000000, -0.3359630500000000, 0.0256167400000000 ] - [ -0.0020072600000000, -0.0093010700000000, -0.0022448700000000 ] - [ 0.0040131900000000, 0.0026876000000000, 0.0006829200000000 ] - [ 0.0009864300000000, 0.0008593000000000, 0.0014167500000000 ] - [ 0.0009829700000000, -0.0009141300000000, -0.0000072000000000 ] - [ -0.0012131400000000, 0.0004251300000000, 0.0010970700000000 ] - [ 0.0008945100000000, -0.0009511700000000, 0.0000325600000000 ] - [ -0.0012463300000000, 0.0004257600000000, 0.0011313200000000 ] - [ -0.0393669800000000, 0.0586524100000000, 0.0046662600000000 ] - [ -0.0104307000000000, 0.0107079100000000, 0.0118917200000000 ] - [ -0.0094637400000000, 0.0002714600000000, 0.0111800500000000 ] - [ -0.0082231700000000, 0.0044801900000000, 0.0106914100000000 ] - [ 0.0083400000000000, 0.0041814200000000, -0.0085217000000000 ] - [ 0.0053796700000000, 0.0053694200000000, -0.0155498000000000 ] - [ 0.0102816800000000, 0.0056666200000000, -0.0120241700000000 ] - [ 0.0105473400000000, 0.0049599800000000, -0.0085687400000000 ] - [ -0.0207131900000000, 0.0476718300000000, -0.0165555900000000 ] - [ 0.0065098400000000, 0.0000923900000000, -0.0097439200000000 ] - [ 0.0074110000000000, -0.0103463200000000, -0.0104236100000000 ] - [ 0.0086769300000000, -0.0061595700000000, -0.0108931100000000 ] - [ -0.0085797000000000, -0.0063968000000000, 0.0131250700000000 ] - [ -0.0114411200000000, -0.0052348900000000, 0.0059801100000000 ] - [ -0.0066802700000000, -0.0049097000000000, 0.0095913600000000 ] - [ -0.0062604400000000, -0.0055777200000000, 0.0130611600000000 ] - [ 0.0109666000000000, 0.0167033100000000, 0.0162670500000000 ] - [ 0.0098269300000000, -0.0116034300000000, 0.0257552700000000 ] - [ 0.0126511900000000, -0.0181014500000000, 0.0266544800000000 ] - [ 0.0107974000000000, -0.0130959700000000, 0.0243472800000000 ] - [ -0.0065058300000000, -0.0141073200000000, -0.0316255500000000 ] - [ -0.0137138800000000, -0.0128271000000000, -0.0292453300000000 ] - [ -0.0154242800000000, -0.0157497200000000, -0.0200279800000000 ] - [ -0.0099268300000000, -0.0143718100000000, -0.0227278000000000 ] - [ -0.0108392400000000, 0.0430780200000000, -0.0336006100000000 ] - [ -0.0120055700000000, 0.0146573100000000, -0.0241168500000000 ] - [ -0.0091164900000000, 0.0081221900000000, -0.0231995100000000 ] - [ -0.0109586800000000, 0.0131419700000000, -0.0255156200000000 ] - [ 0.0153269100000000, 0.0121398500000000, 0.0181214600000000 ] - [ 0.0079663000000000, 0.0133951600000000, 0.0205805300000000 ] - [ 0.0063350600000000, 0.0105295100000000, 0.0297432500000000 ] - [ 0.0117913300000000, 0.0119123000000000, 0.0271626800000000 ] - [ 0.0108855400000000, 0.0528042500000000, 0.0035290900000000 ] - [ -0.0072782000000000, -0.0190961000000000, -0.0020957300000000 ] - [ -0.0100607000000000, -0.0280727900000000, -0.0015198300000000 ] - [ -0.0103501200000000, -0.0222280600000000, -0.0025963400000000 ] - [ 0.0078764200000000, -0.0189738000000000, 0.0020737000000000 ] - [ 0.0134107100000000, -0.0206463400000000, 0.0044055900000000 ] - [ 0.0090573200000000, -0.0223582600000000, 0.0025230300000000 ] - [ 0.0087328500000000, -0.0223810600000000, 0.0016122800000000 ] - [ 0.0331050000000000, 0.0995876100000000, 0.0094710200000000 ] - [ 0.0124516800000000, 0.0238182400000000, 0.0023899700000000 ] - [ 0.0096237700000000, 0.0149613400000000, 0.0029490800000000 ] - [ 0.0093460600000000, 0.0207413200000000, 0.0019259100000000 ] - [ -0.0118508600000000, 0.0239851200000000, -0.0024748400000000 ] - [ -0.0062359200000000, 0.0221616900000000, -0.0000868800000000 ] - [ -0.0106643800000000, 0.0206541100000000, -0.0020391200000000 ] - [ -0.0109710700000000, 0.0204952000000000, -0.0029109600000000 ]- atom: 25 displacement: [ -0.0056150292973469, 0.0000000000000000, 0.0082747474879863 ] forces: - [ -0.0094605300000000, -0.0136815200000000, 0.0242373400000000 ] - [ -0.0263498700000000, 0.0189746200000000, 0.0216899700000000 ] - [ -0.0227625500000000, 0.0265824500000000, 0.0219851000000000 ] - [ -0.0257046600000000, 0.0190470600000000, 0.0217069700000000 ] - [ -0.0145846500000000, 0.0306992000000000, -0.0075788500000000 ] - [ 0.0319636600000000, 0.0154446300000000, -0.0297908200000000 ] - [ 0.0242315200000000, 0.0179720300000000, -0.0204922100000000 ] - [ 0.0251294500000000, 0.0181139000000000, -0.0203439100000000 ] - [ 0.0406963300000000, -0.0514535600000000, -0.0168990700000000 ] - [ 0.0238360800000000, -0.0181603200000000, -0.0196340900000000 ] - [ 0.0271412600000000, -0.0107367900000000, -0.0191849900000000 ] - [ 0.0244771500000000, -0.0183294000000000, -0.0195294500000000 ] - [ -0.0653983500000000, -0.0064508100000000, 0.0335800300000000 ] - [ -0.0178636600000000, -0.0217841400000000, 0.0110902100000000 ] - [ -0.0258953100000000, -0.0192567600000000, 0.0207082400000000 ] - [ -0.0248550400000000, -0.0191555100000000, 0.0208178200000000 ] - [ -0.0016475400000000, -0.0018790700000000, -0.0004946900000000 ] - [ -0.0012227400000000, 0.0026187200000000, -0.0003553100000000 ] - [ -0.0012640700000000, 0.0026185900000000, -0.0003147100000000 ] - [ -0.0015710500000000, -0.0019307400000000, -0.0005207700000000 ] - [ 0.0016284400000000, 0.0000986700000000, 0.0074137400000000 ] - [ 0.0016274500000000, 0.0000991600000000, 0.0076237100000000 ] - [ -0.0000046600000000, -0.0000658400000000, 0.0000756600000000 ] - [ -0.0000521100000000, -0.0000658800000000, 0.0001065300000000 ] - [ 0.1946519100000000, 0.0123170200000000, -0.3005419500000000 ] - [ -0.0101271300000000, -0.0007319700000000, -0.0015635400000000 ] - [ -0.0016348900000000, -0.0016917200000000, 0.0026464300000000 ] - [ -0.0005454100000000, 0.0006153100000000, -0.0000747900000000 ] - [ -0.0059908600000000, 0.0004540200000000, 0.0067437000000000 ] - [ 0.0055271000000000, -0.0016356800000000, -0.0044679400000000 ] - [ -0.0059633100000000, 0.0005782800000000, 0.0066173700000000 ] - [ 0.0055343400000000, -0.0015841100000000, -0.0045125300000000 ] - [ -0.0468563700000000, 0.0193482100000000, 0.0361326400000000 ] - [ -0.0022296000000000, 0.0071781900000000, 0.0127318100000000 ] - [ -0.0076934800000000, 0.0054344900000000, 0.0104988400000000 ] - [ -0.0078833200000000, 0.0053792500000000, 0.0111909400000000 ] - [ 0.0127915300000000, 0.0059239400000000, -0.0172867400000000 ] - [ 0.0042072400000000, 0.0027170200000000, -0.0121246500000000 ] - [ 0.0081635600000000, 0.0049902800000000, -0.0118865300000000 ] - [ 0.0051596100000000, 0.0063755500000000, -0.0142076700000000 ] - [ -0.0298257400000000, 0.0083456200000000, 0.0150353100000000 ] - [ 0.0148081600000000, -0.0034272200000000, -0.0086984900000000 ] - [ 0.0090276400000000, -0.0050601000000000, -0.0111291400000000 ] - [ 0.0090039500000000, -0.0051914700000000, -0.0103750000000000 ] - [ -0.0041726000000000, -0.0047808900000000, 0.0043196700000000 ] - [ -0.0127036400000000, -0.0078467100000000, 0.0094785500000000 ] - [ -0.0087587500000000, -0.0056398500000000, 0.0096646100000000 ] - [ -0.0117058400000000, -0.0041664300000000, 0.0073520300000000 ] - [ -0.0222392700000000, -0.0133173300000000, 0.1212365100000000 ] - [ 0.0127105300000000, -0.0126995200000000, 0.0242928900000000 ] - [ 0.0107257000000000, -0.0129882600000000, 0.0249071700000000 ] - [ 0.0107105600000000, -0.0133191100000000, 0.0247542300000000 ] - [ -0.0082106200000000, -0.0195383600000000, -0.0302704300000000 ] - [ -0.0102788600000000, -0.0113186300000000, -0.0238586800000000 ] - [ -0.0079406900000000, -0.0094701700000000, -0.0270089300000000 ] - [ -0.0117015400000000, -0.0132071700000000, -0.0226591600000000 ] - [ -0.0455077700000000, 0.0120707300000000, 0.0776582600000000 ] - [ -0.0090231600000000, 0.0135173200000000, -0.0254646000000000 ] - [ -0.0109994300000000, 0.0132153200000000, -0.0249962500000000 ] - [ -0.0110350700000000, 0.0128997600000000, -0.0250993400000000 ] - [ 0.0135837700000000, 0.0065660700000000, 0.0195609200000000 ] - [ 0.0114850500000000, 0.0149502700000000, 0.0260354900000000 ] - [ 0.0138614000000000, 0.0167951900000000, 0.0227208100000000 ] - [ 0.0100365000000000, 0.0130706500000000, 0.0271995100000000 ] - [ -0.0225595300000000, -0.0260376200000000, 0.0214221800000000 ] - [ -0.0059760500000000, -0.0227491000000000, -0.0011537500000000 ] - [ -0.0110066800000000, -0.0202743900000000, -0.0001824400000000 ] - [ -0.0092399200000000, -0.0214737900000000, -0.0024917300000000 ] - [ 0.0136075800000000, -0.0212460200000000, -0.0044663600000000 ] - [ 0.0044917000000000, -0.0189018800000000, 0.0026386100000000 ] - [ 0.0111368000000000, -0.0221847700000000, 0.0016487300000000 ] - [ 0.0091138700000000, -0.0210821900000000, 0.0023148900000000 ] - [ -0.0030671700000000, 0.0167841600000000, 0.0259373600000000 ] - [ 0.0138477800000000, 0.0203756600000000, 0.0034947000000000 ] - [ 0.0085936500000000, 0.0224115900000000, 0.0043311700000000 ] - [ 0.0104072300000000, 0.0215056000000000, 0.0020729900000000 ] - [ -0.0060471900000000, 0.0218753100000000, -0.0090163900000000 ] - [ -0.0152616900000000, 0.0239965900000000, -0.0019584800000000 ] - [ -0.0085812600000000, 0.0207569100000000, -0.0028312700000000 ] - [ -0.0105148400000000, 0.0217974700000000, -0.0022080000000000 ]- atom: 33 displacement: [ 0.0099999992747705, 0.0000000000000000, 0.0000038084890379 ] forces: - [ -0.0150383800000000, 0.0242087800000000, 0.0152092100000000 ] - [ -0.0270305900000000, 0.0201260900000000, 0.0195755300000000 ] - [ -0.0247327900000000, 0.0182087500000000, 0.0200875100000000 ] - [ -0.0260264800000000, 0.0183288300000000, 0.0204900200000000 ] - [ 0.0235944400000000, 0.0195591500000000, -0.0198693800000000 ] - [ 0.0268120000000000, 0.0137002000000000, -0.0234088400000000 ] - [ 0.0250110800000000, 0.0186785700000000, -0.0206575200000000 ] - [ 0.0252288200000000, 0.0193852300000000, -0.0208502800000000 ] - [ 0.0248003300000000, -0.0195862200000000, -0.0196859100000000 ] - [ 0.0243112200000000, -0.0196931900000000, -0.0203589700000000 ] - [ 0.0267029000000000, -0.0190254700000000, -0.0208940000000000 ] - [ 0.0242885300000000, -0.0175275200000000, -0.0197878500000000 ] - [ -0.0277342700000000, -0.0235364900000000, 0.0365525500000000 ] - [ -0.0250350900000000, -0.0172002300000000, 0.0193327000000000 ] - [ -0.0251388000000000, -0.0184909600000000, 0.0207436600000000 ] - [ -0.0252558100000000, -0.0186353600000000, 0.0206592100000000 ] - [ 0.0000536300000000, -0.0007871100000000, 0.0003307700000000 ] - [ 0.0003249700000000, 0.0000156000000000, 0.0002164300000000 ] - [ 0.0039948200000000, -0.0034713400000000, -0.0009105700000000 ] - [ -0.0004642500000000, -0.0004283600000000, 0.0000440500000000 ] - [ 0.0002677500000000, -0.0000236700000000, 0.0002308900000000 ] - [ -0.0001685100000000, 0.0000531400000000, -0.0002889100000000 ] - [ 0.0000050900000000, -0.0000101900000000, -0.0000001500000000 ] - [ 0.0000128100000000, -0.0000381000000000, -0.0000119800000000 ] - [ 0.0847827300000000, -0.0313288500000000, 0.0105586300000000 ] - [ -0.0102778000000000, -0.0019483500000000, 0.0006222900000000 ] - [ 0.0002679700000000, -0.0010113800000000, 0.0009926200000000 ] - [ -0.0011390000000000, 0.0002199600000000, -0.0000932400000000 ] - [ 0.0009117900000000, -0.0017938400000000, 0.0002477300000000 ] - [ 0.0014599500000000, -0.0021995400000000, -0.0030471400000000 ] - [ -0.0006340200000000, 0.0001141600000000, 0.0047957100000000 ] - [ 0.0013639800000000, 0.0030907900000000, -0.0041567300000000 ] - [ -0.1371037900000000, 0.0507088000000000, -0.0102967400000000 ] - [ -0.0075901400000000, 0.0054887300000000, 0.0103416100000000 ] - [ -0.0084606500000000, 0.0055492200000000, 0.0106717400000000 ] - [ -0.0085461000000000, 0.0053620000000000, 0.0108260600000000 ] - [ 0.0090264100000000, 0.0056170800000000, -0.0109310000000000 ] - [ 0.0076083600000000, 0.0071656100000000, -0.0090166100000000 ] - [ 0.0090599300000000, 0.0052866700000000, -0.0108674100000000 ] - [ 0.0075849500000000, 0.0054447300000000, -0.0117135900000000 ] - [ 0.0095424300000000, -0.0082195600000000, -0.0080329700000000 ] - [ 0.0189947200000000, -0.0013071100000000, -0.0125820000000000 ] - [ 0.0083760000000000, -0.0049176300000000, -0.0109091200000000 ] - [ 0.0093735000000000, -0.0064041700000000, -0.0109090400000000 ] - [ -0.0081142100000000, -0.0072143400000000, 0.0092875800000000 ] - [ -0.0081592000000000, -0.0049115600000000, 0.0115382800000000 ] - [ -0.0092772000000000, -0.0052416400000000, 0.0105558600000000 ] - [ -0.0086162200000000, -0.0050803100000000, 0.0111996000000000 ] - [ 0.0179472000000000, -0.0171766800000000, 0.0201155000000000 ] - [ 0.0170210900000000, -0.0136827600000000, 0.0232541000000000 ] - [ 0.0108133800000000, -0.0130648400000000, 0.0251929600000000 ] - [ 0.0113591500000000, -0.0131585600000000, 0.0251138600000000 ] - [ -0.0109330200000000, -0.0129970600000000, -0.0250479200000000 ] - [ -0.0091989700000000, -0.0066081400000000, -0.0228602100000000 ] - [ -0.0107991800000000, -0.0130061200000000, -0.0266176700000000 ] - [ -0.0100761400000000, -0.0163895800000000, -0.0194136300000000 ] - [ -0.0146907900000000, 0.0117799400000000, -0.0206903100000000 ] - [ -0.0097476500000000, 0.0133343000000000, -0.0250351400000000 ] - [ -0.0109961200000000, 0.0134580400000000, -0.0252637600000000 ] - [ -0.0105339100000000, 0.0129193100000000, -0.0249086300000000 ] - [ 0.0108688700000000, 0.0102685700000000, 0.0183946600000000 ] - [ 0.0119426000000000, 0.0126584000000000, 0.0249282300000000 ] - [ 0.0108932500000000, 0.0132665000000000, 0.0251230000000000 ] - [ 0.0112209200000000, 0.0134952200000000, 0.0250723300000000 ] - [ -0.0157208000000000, -0.0234818100000000, -0.0040003500000000 ] - [ -0.0087199600000000, -0.0222224100000000, -0.0027466800000000 ] - [ -0.0114063800000000, -0.0229785900000000, -0.0026979700000000 ] - [ -0.0096166300000000, -0.0217223600000000, -0.0022995000000000 ] - [ 0.0101254100000000, -0.0222463700000000, 0.0013639800000000 ] - [ 0.0083801000000000, -0.0272520800000000, 0.0086282400000000 ] - [ 0.0097718300000000, -0.0213073200000000, 0.0023105700000000 ] - [ 0.0096478100000000, -0.0219309400000000, 0.0028706700000000 ] - [ 0.0223480000000000, 0.0222500300000000, 0.0079754300000000 ] - [ 0.0210904000000000, 0.0227247500000000, 0.0007186100000000 ] - [ 0.0098407900000000, 0.0227089500000000, 0.0019727400000000 ] - [ 0.0101372800000000, 0.0218059500000000, 0.0021989100000000 ] - [ -0.0095320600000000, 0.0258242100000000, -0.0047402200000000 ] - [ -0.0104706500000000, 0.0235935100000000, -0.0001703600000000 ] - [ -0.0098041600000000, 0.0214753300000000, -0.0025813800000000 ] - [ -0.0103794500000000, 0.0213829700000000, -0.0019903500000000 ]- atom: 33 displacement: [ -0.0099999992747705, 0.0000000000000000, -0.0000038084890379 ] forces: - [ -0.0345605900000000, 0.0132187500000000, 0.0257297800000000 ] - [ -0.0231629000000000, 0.0171664200000000, 0.0216015100000000 ] - [ -0.0253693700000000, 0.0191658800000000, 0.0209909200000000 ] - [ -0.0240495600000000, 0.0189270200000000, 0.0206290300000000 ] - [ 0.0263985100000000, 0.0177410600000000, -0.0213161000000000 ] - [ 0.0231985100000000, 0.0231590500000000, -0.0180037300000000 ] - [ 0.0251443900000000, 0.0186024000000000, -0.0205353800000000 ] - [ 0.0247890000000000, 0.0180410800000000, -0.0202517100000000 ] - [ 0.0252785200000000, -0.0176411400000000, -0.0214254000000000 ] - [ 0.0257638200000000, -0.0176357400000000, -0.0207360500000000 ] - [ 0.0233185700000000, -0.0183079200000000, -0.0202963200000000 ] - [ 0.0259026700000000, -0.0196997500000000, -0.0213949500000000 ] - [ -0.0224169500000000, -0.0138161000000000, 0.0048524300000000 ] - [ -0.0251352200000000, -0.0201823400000000, 0.0216948000000000 ] - [ -0.0250057900000000, -0.0187714400000000, 0.0204617500000000 ] - [ -0.0247530000000000, -0.0185361000000000, 0.0205177100000000 ] - [ -0.0000476300000000, 0.0008003300000000, -0.0003328000000000 ] - [ -0.0003238600000000, 0.0000000800000000, -0.0002142400000000 ] - [ -0.0041093200000000, 0.0037766500000000, 0.0010168500000000 ] - [ 0.0004452000000000, 0.0004026700000000, -0.0000746400000000 ] - [ -0.0002257500000000, -0.0000074200000000, -0.0002051100000000 ] - [ 0.0001404500000000, -0.0000931100000000, 0.0002647500000000 ] - [ 0.0000204300000000, 0.0000477400000000, -0.0000258400000000 ] - [ -0.0000427200000000, 0.0000684700000000, 0.0000383000000000 ] - [ -0.0815465400000000, 0.0287668000000000, -0.0096297200000000 ] - [ 0.0103026000000000, 0.0019667900000000, -0.0006113200000000 ] - [ -0.0002480300000000, 0.0010466600000000, -0.0009766200000000 ] - [ 0.0011373100000000, -0.0002259800000000, 0.0000916300000000 ] - [ -0.0009013100000000, 0.0018014000000000, -0.0002475300000000 ] - [ -0.0014226300000000, 0.0021986600000000, 0.0030415000000000 ] - [ 0.0006496400000000, -0.0001206300000000, -0.0047533200000000 ] - [ -0.0013570900000000, -0.0030805700000000, 0.0041360500000000 ] - [ 0.1164752300000000, -0.0377216100000000, 0.0312119600000000 ] - [ -0.0092542500000000, 0.0050567800000000, 0.0112580600000000 ] - [ -0.0083880100000000, 0.0050161500000000, 0.0109447500000000 ] - [ -0.0083556000000000, 0.0052420900000000, 0.0107647300000000 ] - [ 0.0078762900000000, 0.0049723700000000, -0.0106741800000000 ] - [ 0.0093115300000000, 0.0034186100000000, -0.0125850500000000 ] - [ 0.0078367800000000, 0.0053110600000000, -0.0107174000000000 ] - [ 0.0092065800000000, 0.0050590800000000, -0.0099367800000000 ] - [ 0.0074289000000000, -0.0023884500000000, -0.0135520400000000 ] - [ -0.0021585700000000, -0.0092593300000000, -0.0090290900000000 ] - [ 0.0084691200000000, -0.0056417700000000, -0.0107198400000000 ] - [ 0.0075410800000000, -0.0041900300000000, -0.0106772300000000 ] - [ -0.0087951300000000, -0.0033885300000000, 0.0122962600000000 ] - [ -0.0086241900000000, -0.0055908000000000, 0.0101156600000000 ] - [ -0.0076224600000000, -0.0053558300000000, 0.0110350600000000 ] - [ -0.0083074900000000, -0.0055206400000000, 0.0104010900000000 ] - [ 0.0040597900000000, -0.0091092700000000, 0.0294221700000000 ] - [ 0.0047475100000000, -0.0125861800000000, 0.0266201000000000 ] - [ 0.0109449700000000, -0.0131876800000000, 0.0246947900000000 ] - [ 0.0104221200000000, -0.0130722500000000, 0.0246945300000000 ] - [ -0.0108273500000000, -0.0132351600000000, -0.0248016900000000 ] - [ -0.0126060300000000, -0.0195857400000000, -0.0269294700000000 ] - [ -0.0110076100000000, -0.0132390700000000, -0.0232653000000000 ] - [ -0.0116496600000000, -0.0098869200000000, -0.0305090700000000 ] - [ -0.0071828500000000, 0.0144272400000000, -0.0290345800000000 ] - [ -0.0120152000000000, 0.0129151600000000, -0.0248348200000000 ] - [ -0.0107751400000000, 0.0127924800000000, -0.0246280700000000 ] - [ -0.0112476000000000, 0.0133100000000000, -0.0249046900000000 ] - [ 0.0109019400000000, 0.0159228800000000, 0.0313653400000000 ] - [ 0.0098221100000000, 0.0136022100000000, 0.0250153300000000 ] - [ 0.0108727200000000, 0.0129683900000000, 0.0247315300000000 ] - [ 0.0105720200000000, 0.0127501900000000, 0.0247165500000000 ] - [ -0.0040636900000000, -0.0195585600000000, -0.0005387300000000 ] - [ -0.0109599000000000, -0.0206922500000000, -0.0017722600000000 ] - [ -0.0082930900000000, -0.0200315800000000, -0.0018171300000000 ] - [ -0.0100821900000000, -0.0212527200000000, -0.0022390400000000 ] - [ 0.0095754600000000, -0.0207417000000000, 0.0031675000000000 ] - [ 0.0112759400000000, -0.0155948300000000, -0.0040327200000000 ] - [ 0.0099146800000000, -0.0216638200000000, 0.0022168400000000 ] - [ 0.0100571700000000, -0.0210523200000000, 0.0016671200000000 ] - [ -0.0022292400000000, 0.0209507000000000, -0.0032408300000000 ] - [ -0.0014691300000000, 0.0201640400000000, 0.0038062700000000 ] - [ 0.0098290100000000, 0.0202134300000000, 0.0025371200000000 ] - [ 0.0095551300000000, 0.0211688700000000, 0.0023329600000000 ] - [ -0.0101751400000000, 0.0171513800000000, 0.0001970800000000 ] - [ -0.0092538800000000, 0.0193983000000000, -0.0043616800000000 ] - [ -0.0098962800000000, 0.0215143800000000, -0.0019571300000000 ] - [ -0.0092677200000000, 0.0214415800000000, -0.0024901700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0343853300000000, 0.0167822300000000, 0.0286795800000000 ] - [ -0.0239217300000000, 0.0183448100000000, 0.0210051000000000 ] - [ -0.0242614100000000, 0.0174353200000000, 0.0197901700000000 ] - [ -0.0249898500000000, 0.0181930200000000, 0.0204123600000000 ] - [ 0.0250871600000000, 0.0189835000000000, -0.0202395400000000 ] - [ 0.0396443500000000, 0.0427335800000000, -0.0011185200000000 ] - [ 0.0245406900000000, 0.0181491700000000, -0.0205984000000000 ] - [ 0.0253374900000000, 0.0167430000000000, -0.0200185900000000 ] - [ 0.0260590900000000, -0.0190211100000000, -0.0197871500000000 ] - [ 0.0251903300000000, -0.0184380100000000, -0.0207288700000000 ] - [ 0.0225280500000000, -0.0219834200000000, -0.0249517300000000 ] - [ 0.0253002200000000, -0.0186041000000000, -0.0206166000000000 ] - [ -0.0224548200000000, -0.0105754600000000, 0.0153907200000000 ] - [ -0.0260219000000000, -0.0172937000000000, 0.0198926300000000 ] - [ -0.0250666300000000, -0.0194106400000000, 0.0206393000000000 ] - [ -0.0248317900000000, -0.0188964000000000, 0.0207969000000000 ] - [ -0.0004613500000000, -0.0005618000000000, 0.0001504800000000 ] - [ -0.0000222100000000, -0.0000766500000000, -0.0001452800000000 ] - [ -0.0052408000000000, 0.0110974000000000, 0.0015572800000000 ] - [ -0.0004102100000000, -0.0003537200000000, 0.0001090500000000 ] - [ 0.0000660300000000, 0.0003647200000000, -0.0001176600000000 ] - [ -0.0000492000000000, 0.0001747800000000, 0.0000299900000000 ] - [ -0.0000027400000000, -0.0002508300000000, 0.0000335600000000 ] - [ 0.0000084400000000, -0.0000730500000000, 0.0000051000000000 ] - [ -0.0420752900000000, 0.0530385500000000, -0.0120790800000000 ] - [ -0.0011571600000000, 0.0053829100000000, 0.0014309400000000 ] - [ -0.0025980300000000, -0.0050530400000000, -0.0015300100000000 ] - [ 0.0005067700000000, -0.0008399900000000, 0.0004677900000000 ] - [ -0.0000308500000000, 0.0003819300000000, 0.0003747000000000 ] - [ 0.0006551400000000, -0.0002414300000000, -0.0008392500000000 ] - [ -0.0009327700000000, -0.0011090100000000, -0.0013158200000000 ] - [ 0.0003759200000000, 0.0000193800000000, 0.0033433600000000 ] - [ 0.0355006200000000, -0.0967045300000000, 0.0006079600000000 ] - [ -0.0082812600000000, 0.0052116900000000, 0.0102280600000000 ] - [ -0.0081734600000000, 0.0059622400000000, 0.0108031900000000 ] - [ -0.0084221500000000, 0.0051502300000000, 0.0107322700000000 ] - [ 0.0084484600000000, 0.0054706500000000, -0.0109486600000000 ] - [ 0.0082245000000000, 0.0056592000000000, -0.0094052400000000 ] - [ 0.0080826500000000, 0.0054513100000000, -0.0113057400000000 ] - [ 0.0066117000000000, 0.0057181600000000, -0.0130002000000000 ] - [ 0.0054813200000000, -0.0071284900000000, -0.0105381900000000 ] - [ 0.0124617400000000, -0.0050565900000000, -0.0127126100000000 ] - [ 0.0088042000000000, -0.0045503600000000, -0.0107025200000000 ] - [ 0.0073789800000000, -0.0039340900000000, -0.0110395200000000 ] - [ -0.0065053700000000, -0.0050271000000000, 0.0093992300000000 ] - [ -0.0088518300000000, -0.0059717500000000, 0.0111611000000000 ] - [ -0.0084699700000000, -0.0052497500000000, 0.0105764100000000 ] - [ -0.0085987400000000, -0.0056275700000000, 0.0107016400000000 ] - [ 0.0089633600000000, -0.0169464300000000, 0.0277221700000000 ] - [ 0.0132071500000000, -0.0152536400000000, 0.0243729200000000 ] - [ 0.0107334500000000, -0.0117873800000000, 0.0245385000000000 ] - [ 0.0108217500000000, -0.0128949900000000, 0.0249814300000000 ] - [ -0.0110587900000000, -0.0132450800000000, -0.0249467900000000 ] - [ -0.0108744700000000, -0.0118555600000000, -0.0241897500000000 ] - [ -0.0052038700000000, -0.0118361600000000, -0.0257452300000000 ] - [ -0.0132335900000000, -0.0110680900000000, -0.0302651700000000 ] - [ -0.0131798300000000, 0.0126115000000000, -0.0305680000000000 ] - [ -0.0106302600000000, 0.0122690400000000, -0.0250171100000000 ] - [ -0.0109166400000000, 0.0138178700000000, -0.0247251100000000 ] - [ -0.0109576000000000, 0.0132933700000000, -0.0247059900000000 ] - [ 0.0086395200000000, 0.0157538200000000, 0.0343937500000000 ] - [ 0.0113704000000000, 0.0139041500000000, 0.0251064300000000 ] - [ 0.0109433400000000, 0.0132454700000000, 0.0248400100000000 ] - [ 0.0105442600000000, 0.0133091500000000, 0.0247939700000000 ] - [ -0.0149131900000000, -0.0129675700000000, -0.0017235900000000 ] - [ -0.0095615200000000, -0.0217289200000000, -0.0020492300000000 ] - [ -0.0073827900000000, -0.0100696700000000, -0.0006057000000000 ] - [ -0.0097825100000000, -0.0209791200000000, -0.0023137800000000 ] - [ 0.0101354600000000, -0.0218664000000000, 0.0020212800000000 ] - [ 0.0076575700000000, -0.0219356700000000, -0.0003442200000000 ] - [ 0.0100075200000000, -0.0214724900000000, 0.0023034800000000 ] - [ 0.0097585800000000, -0.0209634600000000, 0.0022476000000000 ] - [ 0.0193243400000000, 0.0161209600000000, 0.0053896100000000 ] - [ 0.0055643000000000, 0.0185503400000000, 0.0023183100000000 ] - [ 0.0099788300000000, 0.0216631800000000, 0.0022403300000000 ] - [ 0.0097590800000000, 0.0215362500000000, 0.0023065900000000 ] - [ -0.0102511500000000, 0.0207208600000000, -0.0020082400000000 ] - [ -0.0101309800000000, 0.0226480600000000, -0.0005954300000000 ] - [ -0.0099291900000000, 0.0218989200000000, -0.0021430900000000 ] - [ -0.0094795100000000, 0.0211125000000000, -0.0022096100000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0156375600000000, 0.0207067100000000, 0.0123000100000000 ] - [ -0.0261330100000000, 0.0188017200000000, 0.0202523900000000 ] - [ -0.0257584000000000, 0.0197927900000000, 0.0214309700000000 ] - [ -0.0251588900000000, 0.0191180100000000, 0.0208264600000000 ] - [ 0.0251685600000000, 0.0183096100000000, -0.0208745100000000 ] - [ 0.0097944700000000, -0.0058655900000000, -0.0407016600000000 ] - [ 0.0255433900000000, 0.0191797700000000, -0.0205330200000000 ] - [ 0.0247555800000000, 0.0205191000000000, -0.0211150100000000 ] - [ 0.0239340600000000, -0.0183048400000000, -0.0213754500000000 ] - [ 0.0249615700000000, -0.0187108000000000, -0.0205416900000000 ] - [ 0.0275744300000000, -0.0152365700000000, -0.0161875900000000 ] - [ 0.0247596700000000, -0.0187084700000000, -0.0205916500000000 ] - [ -0.0278506800000000, -0.0268124200000000, 0.0258291000000000 ] - [ -0.0238830500000000, -0.0199331600000000, 0.0212793100000000 ] - [ -0.0250088200000000, -0.0178466900000000, 0.0205017800000000 ] - [ -0.0252520300000000, -0.0184843500000000, 0.0203055000000000 ] - [ 0.0004377000000000, 0.0005775500000000, -0.0001321800000000 ] - [ 0.0000521400000000, 0.0000746400000000, 0.0001189800000000 ] - [ 0.0047079400000000, -0.0103483600000000, -0.0013950000000000 ] - [ 0.0004496200000000, 0.0003486500000000, -0.0001015400000000 ] - [ -0.0000615600000000, -0.0003608400000000, 0.0000711100000000 ] - [ 0.0000535300000000, -0.0001593700000000, 0.0000198900000000 ] - [ 0.0000038600000000, 0.0002370500000000, -0.0000360100000000 ] - [ -0.0000151300000000, 0.0000664600000000, -0.0000030600000000 ] - [ 0.0434084700000000, -0.0533045100000000, 0.0124716900000000 ] - [ 0.0011658400000000, -0.0054236900000000, -0.0015139700000000 ] - [ 0.0025813100000000, 0.0050284600000000, 0.0015234700000000 ] - [ -0.0005039300000000, 0.0008436700000000, -0.0004578000000000 ] - [ 0.0000426700000000, -0.0003753500000000, -0.0003651100000000 ] - [ -0.0006582900000000, 0.0003080500000000, 0.0008575600000000 ] - [ 0.0009212000000000, 0.0011107600000000, 0.0013286300000000 ] - [ -0.0003712300000000, -0.0000419200000000, -0.0032805200000000 ] - [ -0.0529168000000000, 0.1073261500000000, 0.0211431800000000 ] - [ -0.0087069000000000, 0.0054514200000000, 0.0113446100000000 ] - [ -0.0087379600000000, 0.0046159400000000, 0.0107900000000000 ] - [ -0.0084697200000000, 0.0054468100000000, 0.0108641900000000 ] - [ 0.0084328200000000, 0.0051144800000000, -0.0106478400000000 ] - [ 0.0086269400000000, 0.0049009400000000, -0.0122512500000000 ] - [ 0.0087854200000000, 0.0051164100000000, -0.0103123600000000 ] - [ 0.0102772000000000, 0.0048848700000000, -0.0086158000000000 ] - [ 0.0113247800000000, -0.0034441400000000, -0.0111530700000000 ] - [ 0.0045089300000000, -0.0055903500000000, -0.0087919000000000 ] - [ 0.0081013700000000, -0.0060501700000000, -0.0108955100000000 ] - [ 0.0095113700000000, -0.0066511200000000, -0.0105579200000000 ] - [ -0.0103475500000000, -0.0055493300000000, 0.0121938500000000 ] - [ -0.0080441600000000, -0.0046237100000000, 0.0104281800000000 ] - [ -0.0084076500000000, -0.0053414900000000, 0.0110260600000000 ] - [ -0.0082276400000000, -0.0049195800000000, 0.0109158800000000 ] - [ 0.0128158300000000, -0.0092621600000000, 0.0221314000000000 ] - [ 0.0085688600000000, -0.0109566100000000, 0.0254112500000000 ] - [ 0.0110656200000000, -0.0144666300000000, 0.0253046800000000 ] - [ 0.0109567800000000, -0.0133360000000000, 0.0248350000000000 ] - [ -0.0107097900000000, -0.0129946300000000, -0.0248929600000000 ] - [ -0.0109072900000000, -0.0143988700000000, -0.0257025700000000 ] - [ -0.0165186900000000, -0.0144068300000000, -0.0241472200000000 ] - [ -0.0085249800000000, -0.0151906800000000, -0.0196320300000000 ] - [ -0.0086023800000000, 0.0136840600000000, -0.0192245600000000 ] - [ -0.0111694700000000, 0.0139613600000000, -0.0247440700000000 ] - [ -0.0108569100000000, 0.0124164400000000, -0.0251049800000000 ] - [ -0.0108258300000000, 0.0129398100000000, -0.0251205000000000 ] - [ 0.0131028100000000, 0.0104871900000000, 0.0155111100000000 ] - [ 0.0103828100000000, 0.0123371400000000, 0.0247348000000000 ] - [ 0.0108177000000000, 0.0129869500000000, 0.0249893700000000 ] - [ 0.0112077400000000, 0.0129570500000000, 0.0251063800000000 ] - [ -0.0045900300000000, -0.0302822800000000, -0.0028158100000000 ] - [ -0.0101786800000000, -0.0213136900000000, -0.0024910300000000 ] - [ -0.0122851000000000, -0.0327631900000000, -0.0038951800000000 ] - [ -0.0099020500000000, -0.0219821300000000, -0.0022179000000000 ] - [ 0.0095458700000000, -0.0210714800000000, 0.0024997000000000 ] - [ 0.0120171700000000, -0.0210033400000000, 0.0049091400000000 ] - [ 0.0096755300000000, -0.0214872300000000, 0.0022173400000000 ] - [ 0.0099017300000000, -0.0219524500000000, 0.0022711500000000 ] - [ 0.0003626700000000, 0.0266950600000000, -0.0008799300000000 ] - [ 0.0142030300000000, 0.0245156500000000, 0.0022609500000000 ] - [ 0.0097221100000000, 0.0212773000000000, 0.0022784100000000 ] - [ 0.0099273600000000, 0.0214091800000000, 0.0022175700000000 ] - [ -0.0094305500000000, 0.0222712300000000, -0.0025393800000000 ] - [ -0.0095389500000000, 0.0202411600000000, -0.0039471900000000 ] - [ -0.0097528100000000, 0.0210339700000000, -0.0023779000000000 ] - [ -0.0102140100000000, 0.0218614000000000, -0.0023364100000000 ]- atom: 33 displacement: [ -0.0056150292973469, 0.0000000000000000, 0.0082747474879863 ] forces: - [ -0.0253381000000000, 0.0196892600000000, 0.0266046600000000 ] - [ -0.0246717800000000, 0.0179445400000000, 0.0210192200000000 ] - [ -0.0250106200000000, 0.0184594500000000, 0.0208180300000000 ] - [ -0.0251800700000000, 0.0186963800000000, 0.0203710700000000 ] - [ 0.0270758700000000, 0.0173384100000000, -0.0214547900000000 ] - [ 0.0293597500000000, 0.0266430200000000, -0.0033527900000000 ] - [ 0.0251105400000000, 0.0188195200000000, -0.0207049300000000 ] - [ 0.0248797400000000, 0.0188085500000000, -0.0204309600000000 ] - [ 0.0244653800000000, -0.0164424200000000, -0.0208445000000000 ] - [ 0.0255343900000000, -0.0179687900000000, -0.0208822200000000 ] - [ 0.0227772300000000, -0.0200723300000000, -0.0213958100000000 ] - [ 0.0259531800000000, -0.0193937300000000, -0.0218041100000000 ] - [ -0.0206498600000000, -0.0133676600000000, 0.0104681400000000 ] - [ -0.0258189100000000, -0.0192914900000000, 0.0205322700000000 ] - [ -0.0251052700000000, -0.0187977300000000, 0.0204041100000000 ] - [ -0.0249519700000000, -0.0185766000000000, 0.0205094700000000 ] - [ -0.0000508900000000, 0.0003674300000000, 0.0001535800000000 ] - [ -0.0001163500000000, -0.0000738900000000, -0.0000063600000000 ] - [ -0.0037153600000000, 0.0041616600000000, 0.0027037000000000 ] - [ 0.0001476200000000, 0.0000847100000000, 0.0001273600000000 ] - [ 0.0004351000000000, -0.0002040300000000, -0.0011841100000000 ] - [ -0.0002198000000000, -0.0000362100000000, -0.0005527900000000 ] - [ 0.0000676400000000, 0.0000974200000000, -0.0000596000000000 ] - [ 0.0000223100000000, -0.0000188100000000, -0.0000425300000000 ] - [ -0.0453288200000000, 0.0118883900000000, 0.0210257300000000 ] - [ 0.0076423400000000, 0.0020034000000000, 0.0029359500000000 ] - [ 0.0008197600000000, 0.0008933100000000, -0.0002043000000000 ] - [ 0.0006257700000000, -0.0002036800000000, 0.0004506000000000 ] - [ -0.0005360800000000, 0.0020501100000000, -0.0012481100000000 ] - [ 0.0002473100000000, -0.0006323300000000, -0.0010287600000000 ] - [ 0.0023198700000000, -0.0019890700000000, -0.0078597200000000 ] - [ -0.0046687700000000, 0.0022484500000000, -0.0016716600000000 ] - [ 0.0454813200000000, -0.0280520900000000, -0.0329526400000000 ] - [ -0.0093211600000000, 0.0047173300000000, 0.0105880100000000 ] - [ -0.0085335000000000, 0.0051518300000000, 0.0108385600000000 ] - [ -0.0083849300000000, 0.0052277900000000, 0.0107824800000000 ] - [ 0.0080324000000000, 0.0054982000000000, -0.0103938300000000 ] - [ 0.0081626200000000, 0.0060601700000000, -0.0104830900000000 ] - [ 0.0080143700000000, 0.0054331600000000, -0.0104040700000000 ] - [ 0.0103075400000000, 0.0039580900000000, -0.0090090800000000 ] - [ 0.0101399300000000, -0.0034083000000000, -0.0154844700000000 ] - [ 0.0010258700000000, -0.0091750700000000, -0.0122743600000000 ] - [ 0.0083895700000000, -0.0054233800000000, -0.0108954400000000 ] - [ 0.0078550700000000, -0.0048945400000000, -0.0108507100000000 ] - [ -0.0098906300000000, -0.0030431500000000, 0.0133145900000000 ] - [ -0.0079330700000000, -0.0057577200000000, 0.0114811400000000 ] - [ -0.0081587300000000, -0.0051197100000000, 0.0108310600000000 ] - [ -0.0080135100000000, -0.0053060500000000, 0.0112541500000000 ] - [ -0.0020770400000000, -0.0066294700000000, 0.0261417100000000 ] - [ 0.0112179600000000, -0.0138687300000000, 0.0239478900000000 ] - [ 0.0109198500000000, -0.0132260700000000, 0.0246164300000000 ] - [ 0.0108145000000000, -0.0130669500000000, 0.0248426800000000 ] - [ -0.0114716300000000, -0.0132686400000000, -0.0240814400000000 ] - [ -0.0111543100000000, -0.0110894500000000, -0.0243669900000000 ] - [ -0.0151876800000000, -0.0134200000000000, -0.0223778900000000 ] - [ -0.0096023300000000, -0.0133694100000000, -0.0263890700000000 ] - [ -0.0011549200000000, 0.0070323400000000, -0.0225602200000000 ] - [ -0.0120732700000000, 0.0127583900000000, -0.0248162800000000 ] - [ -0.0109835100000000, 0.0133976600000000, -0.0249300200000000 ] - [ -0.0110961800000000, 0.0133430600000000, -0.0248617300000000 ] - [ 0.0096954600000000, 0.0193914000000000, 0.0343829800000000 ] - [ 0.0107941200000000, 0.0131496600000000, 0.0252848000000000 ] - [ 0.0109790000000000, 0.0127630300000000, 0.0249313200000000 ] - [ 0.0109416700000000, 0.0129653700000000, 0.0247037400000000 ] - [ -0.0076209000000000, -0.0194969900000000, -0.0043400600000000 ] - [ -0.0107835500000000, -0.0209710300000000, -0.0023062700000000 ] - [ -0.0093114400000000, -0.0221418300000000, -0.0031980700000000 ] - [ -0.0100177900000000, -0.0213819900000000, -0.0024613600000000 ] - [ 0.0097684600000000, -0.0205614700000000, 0.0040176600000000 ] - [ 0.0134706700000000, -0.0227668700000000, 0.0084994000000000 ] - [ 0.0097408200000000, -0.0214336800000000, 0.0026553100000000 ] - [ 0.0098204300000000, -0.0212864100000000, 0.0023620500000000 ] - [ 0.0091390500000000, 0.0210982000000000, -0.0021940400000000 ] - [ 0.0016401300000000, 0.0207333300000000, 0.0017750400000000 ] - [ 0.0098435200000000, 0.0207705100000000, 0.0022679200000000 ] - [ 0.0098960800000000, 0.0213115800000000, 0.0021130400000000 ] - [ -0.0104329400000000, 0.0151303300000000, 0.0017596600000000 ] - [ -0.0093455000000000, 0.0215710400000000, -0.0015162700000000 ] - [ -0.0101443600000000, 0.0216587400000000, -0.0015436800000000 ] - [ -0.0095186400000000, 0.0219125000000000, -0.0020963800000000 ]- atom: 33 displacement: [ 0.0056150292973469, 0.0000000000000000, -0.0082747474879863 ] forces: - [ -0.0243171400000000, 0.0178662700000000, 0.0141696900000000 ] - [ -0.0255023600000000, 0.0192450100000000, 0.0201654100000000 ] - [ -0.0250593900000000, 0.0188181200000000, 0.0202959900000000 ] - [ -0.0249183600000000, 0.0186590500000000, 0.0207736000000000 ] - [ 0.0230582900000000, 0.0199887300000000, -0.0196907300000000 ] - [ 0.0205227600000000, 0.0105259900000000, -0.0377482500000000 ] - [ 0.0249477600000000, 0.0184108900000000, -0.0205094100000000 ] - [ 0.0252225100000000, 0.0185411700000000, -0.0206966800000000 ] - [ 0.0256082800000000, -0.0208534200000000, -0.0202547600000000 ] - [ 0.0245611900000000, -0.0192198600000000, -0.0203030100000000 ] - [ 0.0272059200000000, -0.0171936300000000, -0.0197603400000000 ] - [ 0.0242377400000000, -0.0179615500000000, -0.0193337900000000 ] - [ -0.0296976600000000, -0.0239547500000000, 0.0310593000000000 ] - [ -0.0241873300000000, -0.0180650300000000, 0.0205654200000000 ] - [ -0.0249574500000000, -0.0184847400000000, 0.0208037100000000 ] - [ -0.0251423900000000, -0.0186599900000000, 0.0206483200000000 ] - [ 0.0000352900000000, -0.0003510000000000, -0.0001475300000000 ] - [ 0.0001337800000000, 0.0000900900000000, -0.0000067200000000 ] - [ 0.0036307400000000, -0.0040102600000000, -0.0026783900000000 ] - [ -0.0001375100000000, -0.0001016800000000, -0.0001550600000000 ] - [ -0.0004036700000000, 0.0001990500000000, 0.0011708900000000 ] - [ 0.0001976200000000, 0.0000283400000000, 0.0005773800000000 ] - [ -0.0000495800000000, -0.0000882000000000, 0.0000609300000000 ] - [ -0.0000431000000000, 0.0000299700000000, 0.0000395900000000 ] - [ 0.0452877800000000, -0.0120045600000000, -0.0207082700000000 ] - [ -0.0075976200000000, -0.0019781800000000, -0.0029003700000000 ] - [ -0.0008258400000000, -0.0008774400000000, 0.0002134500000000 ] - [ -0.0006347200000000, 0.0002191600000000, -0.0004638400000000 ] - [ 0.0004954500000000, -0.0019889700000000, 0.0012534300000000 ] - [ -0.0002288900000000, 0.0006450400000000, 0.0010290100000000 ] - [ -0.0023237800000000, 0.0019581800000000, 0.0078199500000000 ] - [ 0.0047489500000000, -0.0022384500000000, 0.0016321900000000 ] - [ -0.0625824300000000, 0.0385514100000000, 0.0542345500000000 ] - [ -0.0076207000000000, 0.0058893800000000, 0.0109716100000000 ] - [ -0.0083326600000000, 0.0054239400000000, 0.0107711500000000 ] - [ -0.0084726500000000, 0.0053392500000000, 0.0108230100000000 ] - [ 0.0088594600000000, 0.0050838500000000, -0.0112056700000000 ] - [ 0.0087379000000000, 0.0045344800000000, -0.0111154900000000 ] - [ 0.0088792800000000, 0.0051684700000000, -0.0111894800000000 ] - [ 0.0064981400000000, 0.0065921200000000, -0.0126305200000000 ] - [ 0.0067494000000000, -0.0071783700000000, -0.0061347200000000 ] - [ 0.0158384800000000, -0.0014699900000000, -0.0093249100000000 ] - [ 0.0084805800000000, -0.0051564200000000, -0.0107128700000000 ] - [ 0.0090003700000000, -0.0056727600000000, -0.0107438400000000 ] - [ -0.0070016300000000, -0.0075037300000000, 0.0082854600000000 ] - [ -0.0089226700000000, -0.0047832900000000, 0.0101363800000000 ] - [ -0.0087306000000000, -0.0054733300000000, 0.0107710400000000 ] - [ -0.0088850400000000, -0.0052833100000000, 0.0103426200000000 ] - [ 0.0242507800000000, -0.0197653400000000, 0.0235758100000000 ] - [ 0.0105695900000000, -0.0123700300000000, 0.0258758600000000 ] - [ 0.0108492900000000, -0.0130135000000000, 0.0252395200000000 ] - [ 0.0109509100000000, -0.0131848000000000, 0.0250284600000000 ] - [ -0.0102878200000000, -0.0129748800000000, -0.0257734500000000 ] - [ -0.0106254700000000, -0.0151378900000000, -0.0254593800000000 ] - [ -0.0065296000000000, -0.0128138400000000, -0.0274600600000000 ] - [ -0.0121848900000000, -0.0128764300000000, -0.0234780800000000 ] - [ -0.0204947700000000, 0.0191479500000000, -0.0272810600000000 ] - [ -0.0096900700000000, 0.0134717800000000, -0.0250086300000000 ] - [ -0.0107870200000000, 0.0128483800000000, -0.0249203600000000 ] - [ -0.0106518200000000, 0.0128964500000000, -0.0250032000000000 ] - [ 0.0120530100000000, 0.0069239300000000, 0.0155584800000000 ] - [ 0.0109674300000000, 0.0130979300000000, 0.0246075700000000 ] - [ 0.0107866800000000, 0.0134647900000000, 0.0249028100000000 ] - [ 0.0108337900000000, 0.0132829000000000, 0.0251405000000000 ] - [ -0.0120902100000000, -0.0234030000000000, -0.0001620700000000 ] - [ -0.0089420800000000, -0.0220601300000000, -0.0022444000000000 ] - [ -0.0103699700000000, -0.0208013600000000, -0.0013127900000000 ] - [ -0.0096551200000000, -0.0215473400000000, -0.0020649400000000 ] - [ 0.0099413200000000, -0.0224084300000000, 0.0005393400000000 ] - [ 0.0061162900000000, -0.0201449300000000, -0.0040507900000000 ] - [ 0.0099530100000000, -0.0215366800000000, 0.0018725300000000 ] - [ 0.0098665200000000, -0.0216764900000000, 0.0021639100000000 ] - [ 0.0105126300000000, 0.0218447300000000, 0.0067313100000000 ] - [ 0.0180056300000000, 0.0222712400000000, 0.0027563300000000 ] - [ 0.0098363900000000, 0.0221563000000000, 0.0022475500000000 ] - [ 0.0097760000000000, 0.0216174200000000, 0.0024131600000000 ] - [ -0.0092582200000000, 0.0277138300000000, -0.0062405700000000 ] - [ -0.0103454000000000, 0.0214098700000000, -0.0030076800000000 ] - [ -0.0095503500000000, 0.0213415500000000, -0.0029861800000000 ] - [ -0.0101690100000000, 0.0209710300000000, -0.0023989200000000 ]- atom: 49 displacement: [ 0.0099999992747705, 0.0000000000000000, 0.0000038084890379 ] forces: - [ -0.0161589000000000, 0.0047853700000000, 0.0224059500000000 ] - [ -0.0263013400000000, 0.0170237500000000, 0.0207574900000000 ] - [ -0.0230565400000000, 0.0183184700000000, 0.0198161100000000 ] - [ -0.0260903200000000, 0.0198835500000000, 0.0207569400000000 ] - [ 0.0603811000000000, 0.0112276300000000, -0.0238579100000000 ] - [ 0.0156939300000000, 0.0158162100000000, -0.0214670200000000 ] - [ 0.0251781300000000, 0.0187376100000000, -0.0209957200000000 ] - [ 0.0246246100000000, 0.0189295000000000, -0.0208453800000000 ] - [ 0.0263004700000000, -0.0175595100000000, -0.0202612900000000 ] - [ 0.0248463700000000, -0.0178985500000000, -0.0211752700000000 ] - [ 0.0257019200000000, -0.0194851800000000, -0.0202647400000000 ] - [ 0.0249927000000000, -0.0185447900000000, -0.0205684200000000 ] - [ -0.0258959400000000, -0.0194482700000000, 0.0236696800000000 ] - [ -0.0267752900000000, -0.0202651100000000, 0.0175012300000000 ] - [ -0.0251436500000000, -0.0183988500000000, 0.0206356600000000 ] - [ -0.0250842800000000, -0.0185351400000000, 0.0207204700000000 ] - [ -0.0004263300000000, -0.0002240800000000, 0.0000987700000000 ] - [ -0.0000406800000000, 0.0010208700000000, -0.0004377500000000 ] - [ -0.0003901200000000, 0.0005133800000000, 0.0001655500000000 ] - [ -0.0003850600000000, -0.0010263600000000, -0.0007163100000000 ] - [ 0.0037409500000000, 0.0004457200000000, 0.0072075300000000 ] - [ -0.0007666700000000, -0.0001084400000000, 0.0003955400000000 ] - [ -0.0000011500000000, 0.0000368200000000, -0.0000558200000000 ] - [ -0.0000534600000000, -0.0000016200000000, -0.0000122100000000 ] - [ 0.0342919600000000, 0.0000563100000000, -0.0176657900000000 ] - [ -0.0060192400000000, -0.0010888100000000, -0.0018760000000000 ] - [ 0.0008268800000000, 0.0017893800000000, 0.0004001400000000 ] - [ -0.0000434000000000, -0.0000837400000000, -0.0002188800000000 ] - [ 0.0007289000000000, 0.0045865300000000, 0.0041038300000000 ] - [ -0.0017572100000000, -0.0009169900000000, -0.0021764800000000 ] - [ 0.0000173000000000, -0.0044393100000000, 0.0032084500000000 ] - [ -0.0045506500000000, 0.0028326900000000, -0.0023820000000000 ] - [ -0.0017075700000000, 0.0034723900000000, -0.0002538000000000 ] - [ -0.0023566900000000, 0.0076727200000000, 0.0153446200000000 ] - [ -0.0084655500000000, 0.0051087000000000, 0.0108065400000000 ] - [ -0.0080175600000000, 0.0052363500000000, 0.0109953100000000 ] - [ 0.0085239800000000, -0.0004350000000000, -0.0160226400000000 ] - [ 0.0091767600000000, 0.0075909700000000, -0.0087421900000000 ] - [ 0.0084086100000000, 0.0054898200000000, -0.0115428800000000 ] - [ 0.0100839400000000, 0.0052403300000000, -0.0099893300000000 ] - [ 0.0047153600000000, -0.0076422400000000, -0.0015835700000000 ] - [ 0.0096620200000000, -0.0050751000000000, -0.0114263600000000 ] - [ 0.0082826500000000, -0.0053055000000000, -0.0110032800000000 ] - [ 0.0088477700000000, -0.0053657100000000, -0.0107774800000000 ] - [ -0.0084908600000000, -0.0030852900000000, 0.0093928400000000 ] - [ -0.0073384000000000, -0.0057241100000000, 0.0114359000000000 ] - [ -0.0083853100000000, -0.0053329800000000, 0.0109437300000000 ] - [ -0.0080424000000000, -0.0049276100000000, 0.0111225400000000 ] - [ -0.0772075000000000, 0.0107914000000000, 0.0475611900000000 ] - [ 0.0142915500000000, -0.0131112700000000, 0.0251536800000000 ] - [ 0.0108630300000000, -0.0136121200000000, 0.0248773500000000 ] - [ 0.0106996300000000, -0.0132934600000000, 0.0249811400000000 ] - [ -0.0112490600000000, -0.0198872200000000, -0.0284371600000000 ] - [ -0.0101868600000000, -0.0123371300000000, -0.0244944600000000 ] - [ -0.0112707500000000, -0.0103487100000000, -0.0266276800000000 ] - [ -0.0102002000000000, -0.0132823700000000, -0.0252846300000000 ] - [ -0.0135821400000000, 0.0144513800000000, -0.0270954400000000 ] - [ -0.0105298100000000, 0.0131286600000000, -0.0239466400000000 ] - [ -0.0111367400000000, 0.0132810100000000, -0.0251869800000000 ] - [ -0.0112921100000000, 0.0132675400000000, -0.0251586400000000 ] - [ 0.0109610500000000, 0.0135762600000000, 0.0239758000000000 ] - [ 0.0107708500000000, 0.0135826100000000, 0.0261343100000000 ] - [ 0.0105657000000000, 0.0131265900000000, 0.0242168000000000 ] - [ 0.0109396200000000, 0.0130722900000000, 0.0256867900000000 ] - [ -0.0082420700000000, -0.0143801300000000, -0.0089778600000000 ] - [ -0.0039175800000000, -0.0226768300000000, 0.0030886600000000 ] - [ -0.0095447600000000, -0.0228212100000000, -0.0034810500000000 ] - [ -0.0098464000000000, -0.0212150600000000, -0.0020796600000000 ] - [ 0.0109549300000000, -0.0139638500000000, -0.0021934700000000 ] - [ 0.0155933300000000, -0.0256763900000000, 0.0067501500000000 ] - [ 0.0099758600000000, -0.0221305400000000, 0.0020838200000000 ] - [ 0.0101250200000000, -0.0215921700000000, 0.0022287300000000 ] - [ 0.0059824400000000, 0.0221664200000000, 0.0056531300000000 ] - [ 0.0107692700000000, 0.0209998900000000, 0.0019067500000000 ] - [ 0.0097092800000000, 0.0209450400000000, 0.0022380800000000 ] - [ 0.0104462100000000, 0.0210590700000000, 0.0022206700000000 ] - [ -0.0091950000000000, 0.0182558900000000, -0.0059790100000000 ] - [ -0.0092146700000000, 0.0210112500000000, -0.0013627700000000 ] - [ -0.0101086500000000, 0.0211790300000000, -0.0022103000000000 ] - [ -0.0092052100000000, 0.0215373000000000, -0.0018076300000000 ]- atom: 49 displacement: [ -0.0099999992747705, 0.0000000000000000, -0.0000038084890379 ] forces: - [ -0.0339433000000000, 0.0327313100000000, 0.0187339900000000 ] - [ -0.0237857200000000, 0.0201528100000000, 0.0205337900000000 ] - [ -0.0269060500000000, 0.0188553800000000, 0.0214266500000000 ] - [ -0.0241266500000000, 0.0174087000000000, 0.0205122300000000 ] - [ -0.0078465200000000, 0.0252874100000000, -0.0173619100000000 ] - [ 0.0343250800000000, 0.0216256700000000, -0.0195683000000000 ] - [ 0.0249434900000000, 0.0186045700000000, -0.0200744300000000 ] - [ 0.0254512500000000, 0.0183461400000000, -0.0202034100000000 ] - [ 0.0236626900000000, -0.0198033500000000, -0.0209183100000000 ] - [ 0.0253488800000000, -0.0192838700000000, -0.0201230800000000 ] - [ 0.0243622200000000, -0.0176912600000000, -0.0209112300000000 ] - [ 0.0250949900000000, -0.0187127400000000, -0.0207022100000000 ] - [ -0.0243550500000000, -0.0178805000000000, 0.0173694700000000 ] - [ -0.0231129200000000, -0.0169985100000000, 0.0235983800000000 ] - [ -0.0249634100000000, -0.0188620100000000, 0.0204543800000000 ] - [ -0.0249960800000000, -0.0188779300000000, 0.0202983400000000 ] - [ 0.0003923300000000, 0.0002138500000000, -0.0000532200000000 ] - [ 0.0000799600000000, -0.0010230800000000, 0.0003890000000000 ] - [ 0.0003564900000000, -0.0005155100000000, -0.0001559800000000 ] - [ 0.0004289400000000, 0.0010300100000000, 0.0007032400000000 ] - [ -0.0036761800000000, -0.0004481600000000, -0.0072875900000000 ] - [ 0.0007418900000000, 0.0001094100000000, -0.0003282700000000 ] - [ 0.0000205300000000, -0.0000398600000000, 0.0000467700000000 ] - [ 0.0000340200000000, -0.0000100600000000, 0.0000221700000000 ] - [ -0.0340065500000000, -0.0000718400000000, 0.0177633100000000 ] - [ 0.0059668900000000, 0.0010846200000000, 0.0018058700000000 ] - [ -0.0007984200000000, -0.0017417400000000, -0.0003767100000000 ] - [ 0.0000008800000000, 0.0000807000000000, 0.0002056800000000 ] - [ -0.0007276200000000, -0.0045133000000000, -0.0040512700000000 ] - [ 0.0017717300000000, 0.0009041100000000, 0.0021763000000000 ] - [ 0.0000639000000000, 0.0043857900000000, -0.0032269700000000 ] - [ 0.0045650400000000, -0.0028750200000000, 0.0023944300000000 ] - [ -0.0153974100000000, 0.0071794100000000, 0.0222014600000000 ] - [ -0.0145395600000000, 0.0029909100000000, 0.0062693700000000 ] - [ -0.0084374900000000, 0.0054920200000000, 0.0107923900000000 ] - [ -0.0089663200000000, 0.0054195900000000, 0.0105651600000000 ] - [ 0.0084006400000000, 0.0109349300000000, -0.0056661000000000 ] - [ 0.0076010600000000, 0.0029169100000000, -0.0129078300000000 ] - [ 0.0084357800000000, 0.0050760800000000, -0.0100593600000000 ] - [ 0.0068177700000000, 0.0053206000000000, -0.0115849200000000 ] - [ 0.0120163300000000, -0.0029182900000000, -0.0199359100000000 ] - [ 0.0073118900000000, -0.0055715400000000, -0.0101124200000000 ] - [ 0.0086140300000000, -0.0052978700000000, -0.0105933200000000 ] - [ 0.0081478700000000, -0.0052840300000000, -0.0107698700000000 ] - [ -0.0083509900000000, -0.0074690800000000, 0.0122907300000000 ] - [ -0.0095539000000000, -0.0048416900000000, 0.0101419600000000 ] - [ -0.0085148700000000, -0.0052686400000000, 0.0106428900000000 ] - [ -0.0087350900000000, -0.0055713900000000, 0.0105147700000000 ] - [ 0.0965356000000000, -0.0362907200000000, 0.0020359400000000 ] - [ 0.0074820400000000, -0.0131043900000000, 0.0246725000000000 ] - [ 0.0109000800000000, -0.0126442400000000, 0.0249556400000000 ] - [ 0.0110965700000000, -0.0129480200000000, 0.0248044300000000 ] - [ -0.0105419100000000, -0.0064263100000000, -0.0214386100000000 ] - [ -0.0115360700000000, -0.0139243900000000, -0.0254562300000000 ] - [ -0.0105014600000000, -0.0159015200000000, -0.0232533500000000 ] - [ -0.0115726700000000, -0.0129653200000000, -0.0245975200000000 ] - [ -0.0081835000000000, 0.0118472500000000, -0.0228985800000000 ] - [ -0.0112338500000000, 0.0131061100000000, -0.0258183300000000 ] - [ -0.0106380000000000, 0.0129406700000000, -0.0246577000000000 ] - [ -0.0104799800000000, 0.0129502300000000, -0.0246196500000000 ] - [ 0.0107688900000000, 0.0126532900000000, 0.0259021700000000 ] - [ 0.0109784400000000, 0.0126641400000000, 0.0237308500000000 ] - [ 0.0111911000000000, 0.0130964900000000, 0.0256037900000000 ] - [ 0.0107957700000000, 0.0131964100000000, 0.0242660800000000 ] - [ -0.0114010600000000, -0.0286225100000000, 0.0045314800000000 ] - [ -0.0157483900000000, -0.0204063600000000, -0.0075677800000000 ] - [ -0.0101463800000000, -0.0202099700000000, -0.0010949900000000 ] - [ -0.0098678900000000, -0.0217913500000000, -0.0024702000000000 ] - [ 0.0086671800000000, -0.0288329900000000, 0.0066633100000000 ] - [ 0.0040767000000000, -0.0172353600000000, -0.0022405800000000 ] - [ 0.0097065800000000, -0.0208639700000000, 0.0024440100000000 ] - [ 0.0095023900000000, -0.0212421500000000, 0.0022651100000000 ] - [ 0.0136764600000000, 0.0206530800000000, -0.0012137200000000 ] - [ 0.0089631300000000, 0.0220787900000000, 0.0026860200000000 ] - [ 0.0099837700000000, 0.0220291300000000, 0.0022928400000000 ] - [ 0.0092711600000000, 0.0219513900000000, 0.0023276900000000 ] - [ -0.0104916500000000, 0.0246765900000000, 0.0014098600000000 ] - [ -0.0104263900000000, 0.0218298600000000, -0.0031304100000000 ] - [ -0.0095545700000000, 0.0217287900000000, -0.0022884100000000 ] - [ -0.0104885800000000, 0.0214276700000000, -0.0027257200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0312692600000000, 0.0493764400000000, 0.0208958800000000 ] - [ -0.0248884900000000, 0.0192195000000000, 0.0202994300000000 ] - [ -0.0261247800000000, 0.0122559000000000, 0.0199235700000000 ] - [ -0.0247534300000000, 0.0179870000000000, 0.0205732400000000 ] - [ 0.0126719800000000, 0.0276512600000000, -0.0191295600000000 ] - [ 0.0233776700000000, 0.0222058400000000, -0.0208397300000000 ] - [ 0.0245648800000000, 0.0175853500000000, -0.0204716400000000 ] - [ 0.0257047700000000, 0.0176884500000000, -0.0203011300000000 ] - [ 0.0250577800000000, -0.0196483200000000, -0.0183745700000000 ] - [ 0.0252794600000000, -0.0187594900000000, -0.0209918700000000 ] - [ 0.0254956500000000, -0.0197780600000000, -0.0216042400000000 ] - [ 0.0253256300000000, -0.0191076200000000, -0.0197824500000000 ] - [ -0.0255470600000000, -0.0174495400000000, 0.0199452900000000 ] - [ -0.0253209300000000, -0.0164475300000000, 0.0213510200000000 ] - [ -0.0251254500000000, -0.0191330700000000, 0.0204977000000000 ] - [ -0.0249371000000000, -0.0192286000000000, 0.0206353300000000 ] - [ -0.0005750400000000, -0.0004567600000000, 0.0000011100000000 ] - [ 0.0003764000000000, -0.0006727000000000, 0.0001752000000000 ] - [ 0.0004967300000000, -0.0001478200000000, -0.0003438900000000 ] - [ -0.0008800300000000, -0.0004426300000000, -0.0005119800000000 ] - [ 0.0006742100000000, 0.0017856500000000, 0.0030466400000000 ] - [ 0.0002705500000000, 0.0002468900000000, -0.0003673600000000 ] - [ 0.0000331400000000, -0.0002543700000000, 0.0000564500000000 ] - [ 0.0000269600000000, -0.0000204100000000, -0.0000006300000000 ] - [ -0.0006102800000000, 0.0299180800000000, -0.0014443700000000 ] - [ 0.0012781900000000, 0.0015197200000000, 0.0013473700000000 ] - [ -0.0017769600000000, -0.0050079200000000, -0.0010640800000000 ] - [ -0.0002563700000000, 0.0000238800000000, -0.0004203000000000 ] - [ 0.0017353100000000, -0.0026229000000000, -0.0032621300000000 ] - [ -0.0014713600000000, -0.0012288700000000, -0.0009276800000000 ] - [ -0.0046534800000000, -0.0009855900000000, 0.0047583000000000 ] - [ 0.0046931000000000, 0.0003002600000000, 0.0009778100000000 ] - [ -0.0123912200000000, 0.0013639300000000, 0.0160403200000000 ] - [ -0.0089253300000000, 0.0030907600000000, 0.0095355000000000 ] - [ -0.0084923300000000, 0.0067025300000000, 0.0106750000000000 ] - [ -0.0085482900000000, 0.0055471400000000, 0.0108086100000000 ] - [ 0.0083469500000000, 0.0065934300000000, -0.0105041000000000 ] - [ 0.0115977100000000, 0.0072851200000000, -0.0083420000000000 ] - [ 0.0082707100000000, 0.0051372600000000, -0.0107277200000000 ] - [ 0.0019660900000000, 0.0066273600000000, -0.0176928300000000 ] - [ 0.0070366000000000, -0.0057606100000000, -0.0189911500000000 ] - [ 0.0085715900000000, -0.0060928800000000, -0.0111074500000000 ] - [ 0.0088883500000000, -0.0046554400000000, -0.0101958300000000 ] - [ 0.0083168800000000, -0.0051467900000000, -0.0106251800000000 ] - [ -0.0055372200000000, -0.0026179400000000, 0.0051753400000000 ] - [ -0.0080432800000000, -0.0045324800000000, 0.0110563900000000 ] - [ -0.0086011700000000, -0.0051840400000000, 0.0111303300000000 ] - [ -0.0087306200000000, -0.0050721500000000, 0.0107797300000000 ] - [ 0.0346428000000000, -0.0942690100000000, 0.0314408700000000 ] - [ 0.0108433300000000, -0.0136852600000000, 0.0246568400000000 ] - [ 0.0104544900000000, -0.0116927200000000, 0.0251856900000000 ] - [ 0.0107379200000000, -0.0130864000000000, 0.0251395700000000 ] - [ -0.0136291500000000, -0.0087837100000000, -0.0219120000000000 ] - [ -0.0107043300000000, -0.0131163100000000, -0.0246355300000000 ] - [ -0.0040817500000000, -0.0087338300000000, -0.0298729700000000 ] - [ -0.0117126200000000, -0.0130846500000000, -0.0250701000000000 ] - [ -0.0095140100000000, 0.0086588900000000, -0.0266694900000000 ] - [ -0.0108414000000000, 0.0129174400000000, -0.0250700500000000 ] - [ -0.0107679900000000, 0.0140282900000000, -0.0250928900000000 ] - [ -0.0107474900000000, 0.0135770100000000, -0.0248961900000000 ] - [ 0.0104037200000000, 0.0133738500000000, 0.0258457800000000 ] - [ 0.0104552400000000, 0.0126942000000000, 0.0248675900000000 ] - [ 0.0108763600000000, 0.0139140600000000, 0.0243888700000000 ] - [ 0.0109148800000000, 0.0134918300000000, 0.0249500900000000 ] - [ -0.0017975300000000, -0.0160350400000000, -0.0116931000000000 ] - [ -0.0110977600000000, -0.0214065100000000, -0.0032090900000000 ] - [ -0.0111919400000000, -0.0142261600000000, 0.0038064200000000 ] - [ -0.0097031100000000, -0.0215274100000000, -0.0023597700000000 ] - [ 0.0112431300000000, -0.0235424900000000, 0.0028371600000000 ] - [ 0.0052019100000000, -0.0212470900000000, -0.0004734000000000 ] - [ 0.0099020900000000, -0.0211335100000000, 0.0027364900000000 ] - [ 0.0099846600000000, -0.0210310200000000, 0.0022416900000000 ] - [ 0.0089536000000000, 0.0210743500000000, 0.0127437900000000 ] - [ 0.0092533000000000, 0.0210426900000000, 0.0021140800000000 ] - [ 0.0099223200000000, 0.0223473600000000, 0.0018792800000000 ] - [ 0.0099581900000000, 0.0216376100000000, 0.0024401200000000 ] - [ -0.0109670300000000, 0.0229667600000000, 0.0000686100000000 ] - [ -0.0099764300000000, 0.0213801300000000, -0.0026376200000000 ] - [ -0.0090513800000000, 0.0221966100000000, -0.0029391000000000 ] - [ -0.0105618700000000, 0.0216428100000000, -0.0024733300000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0195777800000000, -0.0101399200000000, 0.0202954500000000 ] - [ -0.0250901300000000, 0.0181300100000000, 0.0208901600000000 ] - [ -0.0238184000000000, 0.0248699000000000, 0.0214680700000000 ] - [ -0.0254380900000000, 0.0192107100000000, 0.0206246100000000 ] - [ 0.0374237800000000, 0.0096176900000000, -0.0220339800000000 ] - [ 0.0267214400000000, 0.0151856100000000, -0.0202550400000000 ] - [ 0.0254065900000000, 0.0198224300000000, -0.0205059200000000 ] - [ 0.0245236800000000, 0.0195380400000000, -0.0206570300000000 ] - [ 0.0249140700000000, -0.0177258200000000, -0.0229080900000000 ] - [ 0.0249263000000000, -0.0185858400000000, -0.0201632900000000 ] - [ 0.0246742900000000, -0.0172799700000000, -0.0197360900000000 ] - [ 0.0246493800000000, -0.0180904800000000, -0.0214380500000000 ] - [ -0.0245227100000000, -0.0199249000000000, 0.0211806500000000 ] - [ -0.0247708000000000, -0.0207418300000000, 0.0198253800000000 ] - [ -0.0248458200000000, -0.0181229000000000, 0.0205288300000000 ] - [ -0.0253003700000000, -0.0182355200000000, 0.0202659800000000 ] - [ 0.0006162700000000, 0.0003874000000000, 0.0000344000000000 ] - [ -0.0004160900000000, 0.0006250500000000, -0.0002069100000000 ] - [ -0.0004609100000000, 0.0002088400000000, 0.0002958600000000 ] - [ 0.0008462400000000, 0.0005086100000000, 0.0005444600000000 ] - [ -0.0006509300000000, -0.0017520700000000, -0.0029812500000000 ] - [ -0.0002806200000000, -0.0002474000000000, 0.0003623800000000 ] - [ -0.0000056000000000, 0.0002594200000000, -0.0000104100000000 ] - [ -0.0000472500000000, 0.0000139000000000, -0.0000388700000000 ] - [ 0.0007962200000000, -0.0298668700000000, 0.0010051900000000 ] - [ -0.0012525900000000, -0.0015255700000000, -0.0013378100000000 ] - [ 0.0017347200000000, 0.0049713000000000, 0.0010382000000000 ] - [ 0.0002492800000000, -0.0000254900000000, 0.0004103600000000 ] - [ -0.0017419200000000, 0.0025933400000000, 0.0032462200000000 ] - [ 0.0014980100000000, 0.0012180800000000, 0.0009238300000000 ] - [ 0.0045805600000000, 0.0009835500000000, -0.0046641500000000 ] - [ -0.0046564000000000, -0.0002566500000000, -0.0009718800000000 ] - [ -0.0045009400000000, 0.0091802700000000, 0.0055808100000000 ] - [ -0.0079147400000000, 0.0074458000000000, 0.0120635800000000 ] - [ -0.0085362800000000, 0.0039797900000000, 0.0108859000000000 ] - [ -0.0083628300000000, 0.0050450700000000, 0.0107823000000000 ] - [ 0.0085632700000000, 0.0040031500000000, -0.0110897700000000 ] - [ 0.0051478800000000, 0.0032062900000000, -0.0133097400000000 ] - [ 0.0085192800000000, 0.0053909500000000, -0.0109215000000000 ] - [ 0.0148301800000000, 0.0039924000000000, -0.0040248700000000 ] - [ 0.0098574700000000, -0.0048071500000000, -0.0024959300000000 ] - [ 0.0082487100000000, -0.0044511000000000, -0.0104950700000000 ] - [ 0.0081454500000000, -0.0060286900000000, -0.0113480800000000 ] - [ 0.0085989700000000, -0.0054471400000000, -0.0109636500000000 ] - [ -0.0111930800000000, -0.0078928900000000, 0.0164231200000000 ] - [ -0.0088670600000000, -0.0060465500000000, 0.0105183000000000 ] - [ -0.0082945100000000, -0.0054145700000000, 0.0104728400000000 ] - [ -0.0080477600000000, -0.0054323400000000, 0.0108513900000000 ] - [ -0.0123347600000000, 0.0660472800000000, 0.0185729600000000 ] - [ 0.0108965500000000, -0.0125642000000000, 0.0252367500000000 ] - [ 0.0113731800000000, -0.0145167100000000, 0.0245464800000000 ] - [ 0.0110487500000000, -0.0131650400000000, 0.0246938200000000 ] - [ -0.0080848400000000, -0.0175012300000000, -0.0279696400000000 ] - [ -0.0110265500000000, -0.0131444500000000, -0.0253244600000000 ] - [ -0.0175336200000000, -0.0174404700000000, -0.0201403000000000 ] - [ -0.0100783200000000, -0.0131389800000000, -0.0247473500000000 ] - [ -0.0122204700000000, 0.0175879300000000, -0.0232348600000000 ] - [ -0.0109060100000000, 0.0133467200000000, -0.0248152800000000 ] - [ -0.0110542900000000, 0.0121942400000000, -0.0246234600000000 ] - [ -0.0110337100000000, 0.0126649100000000, -0.0249391300000000 ] - [ 0.0113439500000000, 0.0128906500000000, 0.0240859100000000 ] - [ 0.0113105600000000, 0.0135346700000000, 0.0249412600000000 ] - [ 0.0108881500000000, 0.0123112000000000, 0.0254895800000000 ] - [ 0.0108129200000000, 0.0127593400000000, 0.0250037100000000 ] - [ -0.0180335000000000, -0.0270416200000000, 0.0073348400000000 ] - [ -0.0086048000000000, -0.0215020200000000, -0.0013450400000000 ] - [ -0.0085724100000000, -0.0287788500000000, -0.0082771400000000 ] - [ -0.0099988600000000, -0.0214648900000000, -0.0021850000000000 ] - [ 0.0083964700000000, -0.0193219500000000, 0.0016403100000000 ] - [ 0.0144836900000000, -0.0217425500000000, 0.0049832900000000 ] - [ 0.0097990900000000, -0.0218671900000000, 0.0018011900000000 ] - [ 0.0096476500000000, -0.0217939500000000, 0.0022526700000000 ] - [ 0.0107332600000000, 0.0218326200000000, -0.0080989300000000 ] - [ 0.0104235300000000, 0.0218888600000000, 0.0024185100000000 ] - [ 0.0098259800000000, 0.0207714500000000, 0.0026926300000000 ] - [ 0.0097589400000000, 0.0213476100000000, 0.0021099700000000 ] - [ -0.0087422700000000, 0.0200183500000000, -0.0045983400000000 ] - [ -0.0096659100000000, 0.0214255100000000, -0.0018316100000000 ] - [ -0.0105811500000000, 0.0206736600000000, -0.0015680700000000 ] - [ -0.0091496200000000, 0.0213431400000000, -0.0020661700000000 ]- atom: 49 displacement: [ -0.0056150292973469, 0.0000000000000000, 0.0082747474879863 ] forces: - [ -0.0351196800000000, 0.0433069800000000, 0.0241370000000000 ] - [ -0.0241116600000000, 0.0199202500000000, 0.0205455900000000 ] - [ -0.0267816300000000, 0.0152123200000000, 0.0219357200000000 ] - [ -0.0239943700000000, 0.0173327600000000, 0.0205921900000000 ] - [ 0.0230822100000000, 0.0162211400000000, -0.0140786000000000 ] - [ 0.0233216200000000, 0.0188866100000000, -0.0178047000000000 ] - [ 0.0252597200000000, 0.0191599900000000, -0.0203908000000000 ] - [ 0.0246278800000000, 0.0187594200000000, -0.0206958600000000 ] - [ 0.0247586600000000, -0.0195163100000000, -0.0210659200000000 ] - [ 0.0252761800000000, -0.0199820900000000, -0.0212485100000000 ] - [ 0.0249504900000000, -0.0195282700000000, -0.0212045600000000 ] - [ 0.0247107500000000, -0.0180092400000000, -0.0218340600000000 ] - [ -0.0231247400000000, -0.0182332100000000, 0.0170494300000000 ] - [ -0.0258308300000000, -0.0177220900000000, 0.0210310200000000 ] - [ -0.0246628800000000, -0.0184406500000000, 0.0206648500000000 ] - [ -0.0249769400000000, -0.0186788300000000, 0.0207310800000000 ] - [ 0.0004109100000000, 0.0003459000000000, -0.0000818700000000 ] - [ -0.0002283400000000, -0.0004846400000000, 0.0004959600000000 ] - [ 0.0002363700000000, -0.0004262100000000, 0.0000805700000000 ] - [ 0.0000348300000000, 0.0004643800000000, 0.0008697300000000 ] - [ 0.0018602000000000, 0.0014062800000000, 0.0111554100000000 ] - [ 0.0004268300000000, 0.0000368100000000, -0.0003243000000000 ] - [ 0.0000462800000000, 0.0001136900000000, -0.0000421700000000 ] - [ 0.0000241900000000, -0.0000176000000000, -0.0000269700000000 ] - [ -0.0423005000000000, -0.0076878000000000, 0.0971799400000000 ] - [ 0.0044671200000000, 0.0012757200000000, 0.0011882900000000 ] - [ 0.0004284400000000, 0.0004777200000000, 0.0003359500000000 ] - [ -0.0001583500000000, -0.0004285800000000, -0.0001647100000000 ] - [ 0.0026038000000000, -0.0065630300000000, -0.0023684200000000 ] - [ -0.0017422900000000, -0.0013700800000000, 0.0016348500000000 ] - [ 0.0055116900000000, 0.0080606500000000, -0.0034958300000000 ] - [ 0.0008201600000000, 0.0020343700000000, 0.0013021200000000 ] - [ -0.0165334400000000, 0.0088737700000000, 0.0157574200000000 ] - [ -0.0133871100000000, 0.0036367900000000, 0.0062970500000000 ] - [ -0.0081283600000000, 0.0050157900000000, 0.0106746900000000 ] - [ -0.0084948700000000, 0.0054138800000000, 0.0107521800000000 ] - [ 0.0069646600000000, 0.0091080100000000, -0.0063124900000000 ] - [ 0.0125846200000000, 0.0084359900000000, -0.0102911200000000 ] - [ 0.0082630700000000, 0.0051204100000000, -0.0096068400000000 ] - [ 0.0092212700000000, 0.0046183400000000, -0.0095035400000000 ] - [ 0.0142004800000000, -0.0088311700000000, -0.0111632100000000 ] - [ 0.0078184300000000, -0.0056322800000000, -0.0103504300000000 ] - [ 0.0081797300000000, -0.0050719300000000, -0.0109137300000000 ] - [ 0.0082044300000000, -0.0051073200000000, -0.0107686000000000 ] - [ -0.0136718000000000, -0.0142328200000000, 0.0174390400000000 ] - [ -0.0090394300000000, -0.0052008700000000, 0.0107451100000000 ] - [ -0.0082964900000000, -0.0051716500000000, 0.0108342800000000 ] - [ -0.0084813600000000, -0.0053004500000000, 0.0104941400000000 ] - [ 0.0793737400000000, -0.0204687800000000, -0.1267740900000000 ] - [ 0.0092282900000000, -0.0133823800000000, 0.0243348800000000 ] - [ 0.0108022500000000, -0.0125645200000000, 0.0246895800000000 ] - [ 0.0110431500000000, -0.0128141100000000, 0.0246712300000000 ] - [ -0.0121130300000000, -0.0053058100000000, -0.0217574400000000 ] - [ -0.0114977700000000, -0.0134013200000000, -0.0251614600000000 ] - [ -0.0135558800000000, -0.0172109800000000, -0.0227508600000000 ] - [ -0.0108519500000000, -0.0133497700000000, -0.0247181400000000 ] - [ -0.0112413600000000, 0.0110154400000000, -0.0201803900000000 ] - [ -0.0103699200000000, 0.0130300600000000, -0.0237248300000000 ] - [ -0.0109060400000000, 0.0127984300000000, -0.0247672700000000 ] - [ -0.0108423900000000, 0.0130179700000000, -0.0243376700000000 ] - [ 0.0100347700000000, 0.0121316000000000, 0.0262799100000000 ] - [ 0.0118887400000000, 0.0128589200000000, 0.0244249400000000 ] - [ 0.0104370000000000, 0.0135577700000000, 0.0242076900000000 ] - [ 0.0114220800000000, 0.0132103900000000, 0.0244291700000000 ] - [ -0.0138703200000000, -0.0305119300000000, 0.0005489700000000 ] - [ -0.0157938200000000, -0.0203928400000000, -0.0076860500000000 ] - [ -0.0093184600000000, -0.0238628900000000, -0.0048864800000000 ] - [ -0.0098813400000000, -0.0218883500000000, -0.0025274000000000 ] - [ 0.0074178200000000, -0.0289781100000000, 0.0062775000000000 ] - [ 0.0130732500000000, -0.0250576500000000, 0.0032221000000000 ] - [ 0.0095867600000000, -0.0212916000000000, 0.0027751500000000 ] - [ 0.0097849100000000, -0.0212796500000000, 0.0023298400000000 ] - [ 0.0125938500000000, 0.0290045900000000, 0.0078364900000000 ] - [ 0.0091154800000000, 0.0221132100000000, 0.0028369800000000 ] - [ 0.0098297300000000, 0.0211317800000000, 0.0021241400000000 ] - [ 0.0094470100000000, 0.0218937800000000, 0.0024177500000000 ] - [ -0.0138346600000000, 0.0295317800000000, 0.0034679000000000 ] - [ -0.0101913900000000, 0.0223798100000000, -0.0029821100000000 ] - [ -0.0102279500000000, 0.0213638200000000, -0.0022358000000000 ] - [ -0.0098125300000000, 0.0211204800000000, -0.0025706100000000 ]- atom: 49 displacement: [ 0.0056150292973469, 0.0000000000000000, -0.0082747474879863 ] forces: - [ -0.0151665300000000, -0.0058607100000000, 0.0171181700000000 ] - [ -0.0258549300000000, 0.0172530500000000, 0.0208039400000000 ] - [ -0.0233653500000000, 0.0220893100000000, 0.0192959100000000 ] - [ -0.0260549200000000, 0.0199650300000000, 0.0206273300000000 ] - [ 0.0279290500000000, 0.0207417200000000, -0.0268320100000000 ] - [ 0.0266692000000000, 0.0184031300000000, -0.0231285400000000 ] - [ 0.0248409700000000, 0.0182536100000000, -0.0206114800000000 ] - [ 0.0254133300000000, 0.0185498400000000, -0.0204484000000000 ] - [ 0.0253653900000000, -0.0176860000000000, -0.0202183300000000 ] - [ 0.0247848700000000, -0.0172264700000000, -0.0200129700000000 ] - [ 0.0252128300000000, -0.0178350500000000, -0.0200825000000000 ] - [ 0.0252507300000000, -0.0192518700000000, -0.0195159500000000 ] - [ -0.0269586300000000, -0.0191796100000000, 0.0237773800000000 ] - [ -0.0243151100000000, -0.0196032900000000, 0.0199436100000000 ] - [ -0.0254252200000000, -0.0187992700000000, 0.0203880700000000 ] - [ -0.0250845100000000, -0.0185808300000000, 0.0204364200000000 ] - [ -0.0003995100000000, -0.0002792600000000, 0.0000683300000000 ] - [ 0.0002295900000000, 0.0005325800000000, -0.0004831400000000 ] - [ -0.0002294000000000, 0.0003631900000000, -0.0000987200000000 ] - [ -0.0000402000000000, -0.0005201200000000, -0.0008314200000000 ] - [ -0.0021910800000000, -0.0015331100000000, -0.0117770600000000 ] - [ -0.0003882300000000, -0.0000696900000000, 0.0003196300000000 ] - [ -0.0000800600000000, -0.0000743300000000, 0.0000422200000000 ] - [ 0.0000113100000000, 0.0000545000000000, 0.0000290600000000 ] - [ 0.0406993400000000, 0.0067604800000000, -0.0914067500000000 ] - [ -0.0044467000000000, -0.0013054300000000, -0.0011865200000000 ] - [ -0.0004201100000000, -0.0004069300000000, -0.0003294800000000 ] - [ 0.0001390600000000, 0.0004396500000000, 0.0001569900000000 ] - [ -0.0026278400000000, 0.0065797500000000, 0.0023818800000000 ] - [ 0.0017039700000000, 0.0013524700000000, -0.0016036500000000 ] - [ -0.0054565400000000, -0.0080595900000000, 0.0034197400000000 ] - [ -0.0008325300000000, -0.0019993100000000, -0.0012807100000000 ] - [ -0.0008561400000000, 0.0019988800000000, 0.0059000100000000 ] - [ -0.0035904500000000, 0.0069972900000000, 0.0152566800000000 ] - [ -0.0087245000000000, 0.0055499000000000, 0.0109350900000000 ] - [ -0.0083986200000000, 0.0051737400000000, 0.0108416000000000 ] - [ 0.0099007200000000, 0.0014837000000000, -0.0152883600000000 ] - [ 0.0043909100000000, 0.0022339000000000, -0.0112788600000000 ] - [ 0.0084490700000000, 0.0053511000000000, -0.0120340100000000 ] - [ 0.0077181900000000, 0.0059100900000000, -0.0120156200000000 ] - [ 0.0029141500000000, -0.0019326100000000, -0.0103537300000000 ] - [ 0.0091348600000000, -0.0049970800000000, -0.0112141700000000 ] - [ 0.0086846300000000, -0.0055019700000000, -0.0106862600000000 ] - [ 0.0086887600000000, -0.0054792700000000, -0.0108148600000000 ] - [ -0.0030720100000000, 0.0037926000000000, 0.0042513600000000 ] - [ -0.0078357100000000, -0.0053655400000000, 0.0108525700000000 ] - [ -0.0085718200000000, -0.0053957700000000, 0.0107751200000000 ] - [ -0.0084151600000000, -0.0052843300000000, 0.0111007400000000 ] - [ -0.0562170200000000, -0.0046111200000000, 0.1710408700000000 ] - [ 0.0125548700000000, -0.0128635600000000, 0.0254574200000000 ] - [ 0.0109633500000000, -0.0136799700000000, 0.0251442000000000 ] - [ 0.0107459000000000, -0.0134244200000000, 0.0251608300000000 ] - [ -0.0096752400000000, -0.0208889100000000, -0.0281400300000000 ] - [ -0.0102834000000000, -0.0128370300000000, -0.0246852100000000 ] - [ -0.0082532500000000, -0.0091213300000000, -0.0271618000000000 ] - [ -0.0109045800000000, -0.0129098000000000, -0.0251692100000000 ] - [ -0.0105555500000000, 0.0152364800000000, -0.0296082000000000 ] - [ -0.0114189500000000, 0.0132173000000000, -0.0260494900000000 ] - [ -0.0108630700000000, 0.0134142300000000, -0.0250730200000000 ] - [ -0.0109280900000000, 0.0132060100000000, -0.0254920800000000 ] - [ 0.0116723800000000, 0.0140946400000000, 0.0236968000000000 ] - [ 0.0098842000000000, 0.0133819500000000, 0.0254543700000000 ] - [ 0.0113208700000000, 0.0126849800000000, 0.0256848700000000 ] - [ 0.0103578400000000, 0.0130384800000000, 0.0254113500000000 ] - [ -0.0059915400000000, -0.0128952100000000, -0.0051469400000000 ] - [ -0.0039090100000000, -0.0226404200000000, 0.0031539900000000 ] - [ -0.0103342000000000, -0.0191541500000000, 0.0002637800000000 ] - [ -0.0098056800000000, -0.0210764900000000, -0.0020097600000000 ] - [ 0.0121722100000000, -0.0137605900000000, -0.0018171500000000 ] - [ 0.0067243500000000, -0.0179756500000000, 0.0013894800000000 ] - [ 0.0100978000000000, -0.0216285700000000, 0.0017202000000000 ] - [ 0.0098943700000000, -0.0216509900000000, 0.0021849700000000 ] - [ 0.0073096100000000, 0.0143464200000000, -0.0031830700000000 ] - [ 0.0106080900000000, 0.0209213800000000, 0.0017484900000000 ] - [ 0.0098440300000000, 0.0218028600000000, 0.0024095900000000 ] - [ 0.0102418000000000, 0.0210671200000000, 0.0021159100000000 ] - [ -0.0058245400000000, 0.0133694600000000, -0.0079975600000000 ] - [ -0.0095117900000000, 0.0205665800000000, -0.0015561600000000 ] - [ -0.0093832100000000, 0.0213719400000000, -0.0021946200000000 ] - [ -0.0098616700000000, 0.0217963600000000, -0.0019411700000000 ]- atom: 65 displacement: [ 0.0099999992747705, 0.0000000000000000, 0.0000038084890379 ] forces: - [ -0.0237827700000000, 0.0182819800000000, 0.0195245700000000 ] - [ -0.0258552400000000, 0.0190985200000000, 0.0207840800000000 ] - [ -0.0167178100000000, 0.0082648300000000, 0.0128281000000000 ] - [ -0.0266130100000000, 0.0181192800000000, 0.0202488500000000 ] - [ 0.0226626500000000, 0.0184515200000000, -0.0189173200000000 ] - [ 0.0235779300000000, 0.0241459000000000, -0.0251757800000000 ] - [ 0.0245262700000000, 0.0185223600000000, -0.0205985700000000 ] - [ 0.0248631000000000, 0.0184759300000000, -0.0208354700000000 ] - [ 0.0303530600000000, -0.0189200700000000, -0.0203758200000000 ] - [ 0.0238734200000000, -0.0189929600000000, -0.0200857000000000 ] - [ 0.0251709000000000, -0.0182538800000000, -0.0203289100000000 ] - [ 0.0250638000000000, -0.0187514400000000, -0.0206351200000000 ] - [ -0.0272557600000000, -0.0155372800000000, 0.0242038900000000 ] - [ -0.0256763700000000, -0.0198058500000000, 0.0185138300000000 ] - [ -0.0256277800000000, -0.0196298600000000, 0.0212072900000000 ] - [ -0.0252297800000000, -0.0183657100000000, 0.0202869200000000 ] - [ 0.0072436200000000, 0.0034850600000000, -0.0010645800000000 ] - [ -0.0010111700000000, 0.0006462300000000, -0.0000589300000000 ] - [ -0.0002488800000000, 0.0002055700000000, 0.0001655600000000 ] - [ -0.0001602200000000, -0.0001665900000000, 0.0000863900000000 ] - [ 0.0005009500000000, 0.0001391000000000, 0.0000840600000000 ] - [ -0.0003232600000000, 0.0000769300000000, -0.0000887700000000 ] - [ 0.0000474600000000, 0.0001133200000000, 0.0001173100000000 ] - [ -0.0000779000000000, -0.0000081000000000, 0.0000255700000000 ] - [ 0.0403825400000000, 0.0224013000000000, 0.0120700200000000 ] - [ -0.0051799000000000, 0.0025808400000000, 0.0012163300000000 ] - [ 0.0030152900000000, -0.0002579800000000, 0.0006227700000000 ] - [ -0.0009786700000000, -0.0005126800000000, 0.0000423700000000 ] - [ -0.0011284400000000, 0.0020322500000000, 0.0038040400000000 ] - [ 0.0003311100000000, -0.0036068700000000, -0.0062771300000000 ] - [ -0.0005884500000000, 0.0007974400000000, 0.0011507600000000 ] - [ -0.0011514300000000, 0.0011276400000000, -0.0015920100000000 ] - [ -0.0142314500000000, 0.0001296100000000, 0.0095726000000000 ] - [ -0.0073343400000000, 0.0056101000000000, 0.0104364300000000 ] - [ -0.0098736000000000, 0.0076594200000000, 0.0104250700000000 ] - [ -0.0082085900000000, 0.0053689300000000, 0.0107501700000000 ] - [ 0.0087400500000000, 0.0050137900000000, -0.0107008900000000 ] - [ 0.0069250200000000, 0.0074409500000000, -0.0073122400000000 ] - [ 0.0085599900000000, 0.0052347800000000, -0.0108939300000000 ] - [ 0.0082175300000000, 0.0053313100000000, -0.0109786000000000 ] - [ 0.0209279100000000, 0.0042940100000000, -0.0031982700000000 ] - [ 0.0196780600000000, -0.0096013700000000, -0.0130117500000000 ] - [ 0.0083273500000000, -0.0050737600000000, -0.0108358700000000 ] - [ 0.0087294400000000, -0.0053867000000000, -0.0105402800000000 ] - [ -0.0085577300000000, -0.0053211700000000, 0.0104095100000000 ] - [ -0.0089702400000000, -0.0056526300000000, 0.0108122500000000 ] - [ -0.0081726800000000, -0.0048988700000000, 0.0102808300000000 ] - [ -0.0090077100000000, -0.0049391800000000, 0.0110005900000000 ] - [ 0.0125088700000000, -0.0050094100000000, 0.0212905900000000 ] - [ 0.0168024700000000, -0.0143773400000000, 0.0217949000000000 ] - [ 0.0111223600000000, -0.0144209200000000, 0.0257990000000000 ] - [ 0.0108831800000000, -0.0129407100000000, 0.0248748400000000 ] - [ -0.0097604200000000, -0.0145545500000000, -0.0269944300000000 ] - [ -0.0050913700000000, -0.0084933500000000, -0.0172456000000000 ] - [ -0.0107601000000000, -0.0131350000000000, -0.0249995000000000 ] - [ -0.0105926700000000, -0.0132996800000000, -0.0247518700000000 ] - [ -0.0147817200000000, 0.0122557800000000, -0.0244533400000000 ] - [ -0.0099948200000000, 0.0125505100000000, -0.0252388400000000 ] - [ -0.0109619700000000, 0.0131848700000000, -0.0250857100000000 ] - [ -0.0102792200000000, 0.0131924400000000, -0.0249943200000000 ] - [ 0.0106684400000000, 0.0123201400000000, 0.0240881200000000 ] - [ 0.0115316400000000, 0.0138184100000000, 0.0253635500000000 ] - [ 0.0114888900000000, 0.0142073500000000, 0.0204661500000000 ] - [ 0.0114805700000000, 0.0132938400000000, 0.0249405400000000 ] - [ -0.0865883500000000, -0.0576879800000000, -0.0078045400000000 ] - [ -0.0088936200000000, -0.0214777800000000, -0.0022055100000000 ] - [ -0.0100826300000000, -0.0219731900000000, -0.0021288900000000 ] - [ -0.0095475200000000, -0.0214232800000000, -0.0026285900000000 ] - [ 0.0106357000000000, -0.0213725700000000, 0.0018344000000000 ] - [ 0.0086434600000000, -0.0253143800000000, 0.0051841300000000 ] - [ 0.0105824000000000, -0.0219906100000000, 0.0023078300000000 ] - [ 0.0086193100000000, -0.0204003600000000, 0.0018888900000000 ] - [ 0.0098464200000000, 0.0249905500000000, 0.0013233100000000 ] - [ 0.0098717500000000, 0.0214283000000000, 0.0019953800000000 ] - [ 0.0101040100000000, 0.0182941600000000, 0.0032097600000000 ] - [ 0.0109726000000000, 0.0226394500000000, 0.0021362600000000 ] - [ -0.0100910700000000, 0.0216582800000000, -0.0030995700000000 ] - [ -0.0089452100000000, 0.0214910400000000, 0.0005210300000000 ] - [ -0.0094088100000000, 0.0215925500000000, -0.0026037400000000 ] - [ -0.0097368500000000, 0.0215874900000000, -0.0019484500000000 ]- atom: 65 displacement: [ -0.0099999992747705, 0.0000000000000000, -0.0000038084890379 ] forces: - [ -0.0261849900000000, 0.0190224300000000, 0.0214288800000000 ] - [ -0.0243811900000000, 0.0181412200000000, 0.0202620900000000 ] - [ -0.0332731100000000, 0.0289839500000000, 0.0282308000000000 ] - [ -0.0235564200000000, 0.0192223100000000, 0.0209554500000000 ] - [ 0.0275229100000000, 0.0189421300000000, -0.0222312000000000 ] - [ 0.0261512300000000, 0.0134377300000000, -0.0160697400000000 ] - [ 0.0256063400000000, 0.0185372900000000, -0.0207896900000000 ] - [ 0.0251332500000000, 0.0186556000000000, -0.0204046100000000 ] - [ 0.0197023300000000, -0.0183486200000000, -0.0206598700000000 ] - [ 0.0262981700000000, -0.0181795100000000, -0.0211934500000000 ] - [ 0.0247937100000000, -0.0191412100000000, -0.0205882100000000 ] - [ 0.0251835000000000, -0.0186727400000000, -0.0203514500000000 ] - [ -0.0229485300000000, -0.0215743600000000, 0.0170414600000000 ] - [ -0.0242833100000000, -0.0173963200000000, 0.0226062800000000 ] - [ -0.0245243500000000, -0.0177257200000000, 0.0200891400000000 ] - [ -0.0247832400000000, -0.0190096900000000, 0.0208760200000000 ] - [ -0.0077910700000000, -0.0038566900000000, 0.0012414600000000 ] - [ 0.0010440400000000, -0.0005956100000000, 0.0000294300000000 ] - [ 0.0002056200000000, -0.0002449600000000, -0.0001248600000000 ] - [ 0.0002030500000000, 0.0001247300000000, -0.0001272100000000 ] - [ -0.0004553500000000, -0.0000494300000000, -0.0001293000000000 ] - [ 0.0002735400000000, -0.0000019300000000, 0.0001411900000000 ] - [ 0.0000188500000000, -0.0001932200000000, -0.0001518200000000 ] - [ 0.0000223200000000, -0.0000733500000000, 0.0000044600000000 ] - [ -0.0403687600000000, -0.0215508400000000, -0.0117849300000000 ] - [ 0.0052326900000000, -0.0025984700000000, -0.0012308200000000 ] - [ -0.0030580800000000, 0.0001798900000000, -0.0005861200000000 ] - [ 0.0009764200000000, 0.0004930300000000, -0.0000374300000000 ] - [ 0.0011679800000000, -0.0019450300000000, -0.0037583500000000 ] - [ -0.0003445500000000, 0.0036248600000000, 0.0063400000000000 ] - [ 0.0005685400000000, -0.0008042200000000, -0.0011561300000000 ] - [ 0.0011406900000000, -0.0011632300000000, 0.0015933800000000 ] - [ -0.0025813100000000, 0.0104675800000000, 0.0120622100000000 ] - [ -0.0095934200000000, 0.0050159700000000, 0.0111311400000000 ] - [ -0.0068857800000000, 0.0028628500000000, 0.0112120900000000 ] - [ -0.0086146700000000, 0.0051817700000000, 0.0108573000000000 ] - [ 0.0081554600000000, 0.0055736600000000, -0.0108798900000000 ] - [ 0.0098647700000000, 0.0030649100000000, -0.0142629500000000 ] - [ 0.0085167400000000, 0.0054810600000000, -0.0106411200000000 ] - [ 0.0086825800000000, 0.0052687900000000, -0.0106322900000000 ] - [ -0.0036500900000000, -0.0146935800000000, -0.0181977100000000 ] - [ -0.0028647800000000, -0.0009831500000000, -0.0085239600000000 ] - [ 0.0084482000000000, -0.0054347500000000, -0.0107968000000000 ] - [ 0.0080890400000000, -0.0051587200000000, -0.0110643200000000 ] - [ -0.0085075200000000, -0.0053958500000000, 0.0111170400000000 ] - [ -0.0079421400000000, -0.0049260800000000, 0.0107913600000000 ] - [ -0.0087376900000000, -0.0057049100000000, 0.0113260300000000 ] - [ -0.0078132500000000, -0.0055862600000000, 0.0106127300000000 ] - [ 0.0092608600000000, -0.0211539500000000, 0.0285003200000000 ] - [ 0.0049325200000000, -0.0118410300000000, 0.0280266600000000 ] - [ 0.0106120100000000, -0.0118195300000000, 0.0241375900000000 ] - [ 0.0108634400000000, -0.0132983300000000, 0.0250211800000000 ] - [ -0.0120174900000000, -0.0117303400000000, -0.0229057000000000 ] - [ -0.0166564100000000, -0.0178220900000000, -0.0327739300000000 ] - [ -0.0110419500000000, -0.0130718900000000, -0.0247363800000000 ] - [ -0.0112013300000000, -0.0129317000000000, -0.0250510900000000 ] - [ -0.0070038900000000, 0.0139453700000000, -0.0254494500000000 ] - [ -0.0117727900000000, 0.0136792400000000, -0.0245661700000000 ] - [ -0.0107685600000000, 0.0130942600000000, -0.0248556300000000 ] - [ -0.0114557000000000, 0.0130496500000000, -0.0248984400000000 ] - [ 0.0111436800000000, 0.0138907700000000, 0.0256456200000000 ] - [ 0.0102901000000000, 0.0124443800000000, 0.0244501700000000 ] - [ 0.0102492200000000, 0.0120097400000000, 0.0293669800000000 ] - [ 0.0102661200000000, 0.0129585700000000, 0.0249742700000000 ] - [ 0.0672970500000000, 0.0141044300000000, 0.0029124900000000 ] - [ -0.0108465900000000, -0.0215513900000000, -0.0023383900000000 ] - [ -0.0095460600000000, -0.0208703400000000, -0.0023711700000000 ] - [ -0.0101107100000000, -0.0215059100000000, -0.0018988100000000 ] - [ 0.0091264600000000, -0.0217843900000000, 0.0027475900000000 ] - [ 0.0110722200000000, -0.0175811400000000, -0.0006843700000000 ] - [ 0.0091085500000000, -0.0209744900000000, 0.0022177700000000 ] - [ 0.0110182300000000, -0.0224256200000000, 0.0025997500000000 ] - [ 0.0098591800000000, 0.0179244600000000, 0.0031625700000000 ] - [ 0.0098327300000000, 0.0216189200000000, 0.0025640800000000 ] - [ 0.0095441600000000, 0.0245444700000000, 0.0012629300000000 ] - [ 0.0086991500000000, 0.0202875400000000, 0.0023748700000000 ] - [ -0.0095983700000000, 0.0212907700000000, -0.0014199600000000 ] - [ -0.0107007500000000, 0.0213204300000000, -0.0050324000000000 ] - [ -0.0103549800000000, 0.0215613800000000, -0.0019810600000000 ] - [ -0.0099584800000000, 0.0213644300000000, -0.0025775600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0258127400000000, 0.0169744200000000, 0.0203670200000000 ] - [ -0.0251617200000000, 0.0184305600000000, 0.0205391900000000 ] - [ -0.0242258200000000, 0.0195563900000000, 0.0193765500000000 ] - [ -0.0261138200000000, 0.0186791400000000, 0.0209316300000000 ] - [ 0.0258825200000000, 0.0205912300000000, -0.0214535300000000 ] - [ 0.0157739400000000, 0.0329648900000000, -0.0294133100000000 ] - [ 0.0261942700000000, 0.0178298500000000, -0.0204667000000000 ] - [ 0.0242693700000000, 0.0171617300000000, -0.0206368500000000 ] - [ 0.0318712800000000, -0.0190917900000000, -0.0049678300000000 ] - [ 0.0244681400000000, -0.0183285300000000, -0.0213252500000000 ] - [ 0.0256827200000000, -0.0182602800000000, -0.0209427700000000 ] - [ 0.0251788000000000, -0.0186972500000000, -0.0206963600000000 ] - [ -0.0249786900000000, -0.0171194200000000, 0.0209297500000000 ] - [ -0.0245276000000000, -0.0183345000000000, 0.0216449600000000 ] - [ -0.0256189500000000, -0.0203396000000000, 0.0214622500000000 ] - [ -0.0248570100000000, -0.0195852900000000, 0.0203209400000000 ] - [ 0.0017316500000000, 0.0035031500000000, -0.0006447900000000 ] - [ 0.0014188200000000, -0.0001644000000000, 0.0002893100000000 ] - [ 0.0001791200000000, -0.0002922700000000, -0.0000141500000000 ] - [ -0.0000326200000000, 0.0004411100000000, 0.0000996700000000 ] - [ 0.0002057700000000, 0.0004211500000000, 0.0002372900000000 ] - [ -0.0001788600000000, 0.0001009400000000, -0.0002011600000000 ] - [ -0.0000224200000000, -0.0008653900000000, -0.0006788300000000 ] - [ -0.0000180000000000, -0.0001318000000000, 0.0000452400000000 ] - [ 0.0252373900000000, 0.0780195100000000, 0.0113328300000000 ] - [ 0.0009035500000000, 0.0023775400000000, -0.0008118000000000 ] - [ 0.0011677700000000, -0.0064997200000000, 0.0020649900000000 ] - [ -0.0004497500000000, -0.0007362200000000, -0.0002806000000000 ] - [ 0.0021335200000000, 0.0025084800000000, 0.0010750700000000 ] - [ -0.0015548600000000, 0.0006807000000000, -0.0042073400000000 ] - [ -0.0009781100000000, -0.0008675500000000, 0.0002021200000000 ] - [ 0.0002306800000000, -0.0008734700000000, -0.0001795700000000 ] - [ -0.0104390000000000, 0.0140752500000000, 0.0118388000000000 ] - [ -0.0092369400000000, 0.0050815000000000, 0.0109204600000000 ] - [ -0.0099999900000000, 0.0166411800000000, 0.0089910200000000 ] - [ -0.0088018500000000, 0.0059125700000000, 0.0107424200000000 ] - [ 0.0091420500000000, 0.0048397700000000, -0.0114336200000000 ] - [ 0.0141916900000000, 0.0048820600000000, -0.0051996600000000 ] - [ 0.0083376300000000, 0.0053091600000000, -0.0109265900000000 ] - [ 0.0088032100000000, 0.0057106800000000, -0.0107578300000000 ] - [ 0.0090194300000000, -0.0105688700000000, -0.0108508200000000 ] - [ 0.0098083400000000, -0.0083097800000000, -0.0108593900000000 ] - [ 0.0097724900000000, -0.0051372200000000, -0.0107784200000000 ] - [ 0.0088945300000000, -0.0053415200000000, -0.0107736300000000 ] - [ -0.0084465600000000, -0.0048518300000000, 0.0106083600000000 ] - [ -0.0082979800000000, -0.0056663600000000, 0.0102264400000000 ] - [ -0.0127481100000000, -0.0060270400000000, 0.0154066700000000 ] - [ -0.0104954800000000, -0.0040220100000000, 0.0092755800000000 ] - [ 0.0181779300000000, -0.0077022900000000, 0.0192491200000000 ] - [ 0.0098260600000000, -0.0131100600000000, 0.0255728500000000 ] - [ 0.0095480700000000, -0.0058117100000000, 0.0210363100000000 ] - [ 0.0111940300000000, -0.0130789700000000, 0.0245061200000000 ] - [ -0.0183373600000000, -0.0152267800000000, -0.0207671600000000 ] - [ -0.0065699400000000, -0.0128005700000000, -0.0177728200000000 ] - [ -0.0101758900000000, -0.0127133000000000, -0.0246181200000000 ] - [ -0.0106933200000000, -0.0127752800000000, -0.0250549400000000 ] - [ -0.0102299000000000, 0.0128081700000000, -0.0157124700000000 ] - [ -0.0114697100000000, 0.0127322300000000, -0.0246456300000000 ] - [ -0.0114078300000000, 0.0138710700000000, -0.0255348100000000 ] - [ -0.0113550700000000, 0.0131891400000000, -0.0246071100000000 ] - [ 0.0112078800000000, 0.0138793400000000, 0.0250657000000000 ] - [ 0.0107279400000000, 0.0132210400000000, 0.0253098900000000 ] - [ 0.0140016700000000, 0.0145864000000000, 0.0172908200000000 ] - [ 0.0112789900000000, 0.0131382700000000, 0.0241120900000000 ] - [ -0.0467508700000000, -0.1485861600000000, -0.0289715100000000 ] - [ -0.0098251300000000, -0.0227167500000000, -0.0022012500000000 ] - [ -0.0105025300000000, -0.0215691500000000, -0.0020298600000000 ] - [ -0.0098107500000000, -0.0216057700000000, -0.0022791200000000 ] - [ 0.0103354800000000, -0.0213785000000000, 0.0024073700000000 ] - [ 0.0087865900000000, -0.0209242400000000, 0.0017056300000000 ] - [ 0.0095099700000000, -0.0212882700000000, 0.0022080900000000 ] - [ 0.0137211300000000, -0.0209584900000000, 0.0048046500000000 ] - [ 0.0133167400000000, 0.0222285900000000, 0.0053096900000000 ] - [ 0.0097681600000000, 0.0215127100000000, 0.0019029000000000 ] - [ 0.0068365000000000, 0.0314245400000000, -0.0000186500000000 ] - [ 0.0110211600000000, 0.0225192000000000, 0.0024290000000000 ] - [ -0.0099672400000000, 0.0202753100000000, -0.0021570800000000 ] - [ -0.0099221900000000, 0.0200798700000000, -0.0018419100000000 ] - [ -0.0097784600000000, 0.0222509600000000, -0.0026525600000000 ] - [ -0.0099639300000000, 0.0219486200000000, -0.0024729600000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0242058800000000, 0.0204961600000000, 0.0207310400000000 ] - [ -0.0250266000000000, 0.0189632600000000, 0.0205921900000000 ] - [ -0.0253970900000000, 0.0166558600000000, 0.0212009700000000 ] - [ -0.0240524600000000, 0.0184304500000000, 0.0203349600000000 ] - [ 0.0242557700000000, 0.0166678600000000, -0.0198607800000000 ] - [ 0.0338127500000000, 0.0046092200000000, -0.0120810300000000 ] - [ 0.0239048000000000, 0.0194642700000000, -0.0205756200000000 ] - [ 0.0258705100000000, 0.0201965200000000, -0.0202616400000000 ] - [ 0.0182276800000000, -0.0185188600000000, -0.0359598400000000 ] - [ 0.0257034700000000, -0.0190630000000000, -0.0198359900000000 ] - [ 0.0242812700000000, -0.0187639000000000, -0.0202791400000000 ] - [ 0.0250074100000000, -0.0184270300000000, -0.0205163200000000 ] - [ -0.0251811200000000, -0.0200281900000000, 0.0204165000000000 ] - [ -0.0254170100000000, -0.0189310100000000, 0.0195994400000000 ] - [ -0.0244756600000000, -0.0170046300000000, 0.0195525200000000 ] - [ -0.0252588300000000, -0.0177908200000000, 0.0205855700000000 ] - [ -0.0020919000000000, -0.0038109000000000, 0.0007695800000000 ] - [ -0.0014009600000000, 0.0000575900000000, -0.0003187300000000 ] - [ -0.0001801300000000, 0.0003893500000000, 0.0000398800000000 ] - [ 0.0000558900000000, -0.0003345100000000, -0.0001388500000000 ] - [ -0.0001567700000000, -0.0004031800000000, -0.0002758200000000 ] - [ 0.0001417200000000, -0.0000972200000000, 0.0002303700000000 ] - [ 0.0000669200000000, 0.0008767000000000, 0.0006864200000000 ] - [ -0.0000292900000000, 0.0001130400000000, -0.0000472800000000 ] - [ -0.0229091500000000, -0.0743803800000000, -0.0101299800000000 ] - [ -0.0009261300000000, -0.0023409900000000, 0.0008170400000000 ] - [ -0.0011837800000000, 0.0066196500000000, -0.0021194600000000 ] - [ 0.0004539600000000, 0.0007408500000000, 0.0002879100000000 ] - [ -0.0021321500000000, -0.0025213600000000, -0.0010463300000000 ] - [ 0.0015634200000000, -0.0007206200000000, 0.0042051300000000 ] - [ 0.0009734700000000, 0.0008542100000000, -0.0002110600000000 ] - [ -0.0002562300000000, 0.0008989400000000, 0.0002098400000000 ] - [ -0.0064864600000000, -0.0032267600000000, 0.0097565000000000 ] - [ -0.0076075300000000, 0.0054572500000000, 0.0106769800000000 ] - [ -0.0070024700000000, -0.0060425700000000, 0.0126077100000000 ] - [ -0.0082084400000000, 0.0047668000000000, 0.0108023000000000 ] - [ 0.0077463300000000, 0.0057322500000000, -0.0101713600000000 ] - [ 0.0026867700000000, 0.0057580500000000, -0.0163379700000000 ] - [ 0.0085888000000000, 0.0053227400000000, -0.0106708400000000 ] - [ 0.0080391100000000, 0.0048424800000000, -0.0108652800000000 ] - [ 0.0076924500000000, -0.0000093800000000, -0.0108131500000000 ] - [ 0.0071536600000000, -0.0023081000000000, -0.0107644400000000 ] - [ 0.0072318700000000, -0.0055384900000000, -0.0107814900000000 ] - [ 0.0081292000000000, -0.0053227900000000, -0.0107818200000000 ] - [ -0.0084795900000000, -0.0057492400000000, 0.0109636000000000 ] - [ -0.0085353800000000, -0.0048958900000000, 0.0113744100000000 ] - [ -0.0040815900000000, -0.0045701900000000, 0.0061495600000000 ] - [ -0.0063836700000000, -0.0065128200000000, 0.0123124400000000 ] - [ 0.0037014700000000, -0.0185025200000000, 0.0305059100000000 ] - [ 0.0119667300000000, -0.0131412500000000, 0.0242758600000000 ] - [ 0.0122596000000000, -0.0204214400000000, 0.0287149000000000 ] - [ 0.0106010900000000, -0.0131488200000000, 0.0252555600000000 ] - [ -0.0034151800000000, -0.0109963600000000, -0.0290764400000000 ] - [ -0.0151772000000000, -0.0134072200000000, -0.0320740300000000 ] - [ -0.0115838700000000, -0.0135058000000000, -0.0252047200000000 ] - [ -0.0110673300000000, -0.0134780200000000, -0.0248577600000000 ] - [ -0.0115011000000000, 0.0133555600000000, -0.0340838500000000 ] - [ -0.0102627200000000, 0.0135123000000000, -0.0252350300000000 ] - [ -0.0104264600000000, 0.0123529700000000, -0.0242012300000000 ] - [ -0.0104510500000000, 0.0130400100000000, -0.0251625100000000 ] - [ 0.0105667700000000, 0.0123718400000000, 0.0247853100000000 ] - [ 0.0110092600000000, 0.0130275600000000, 0.0245806600000000 ] - [ 0.0077604200000000, 0.0116687300000000, 0.0324997600000000 ] - [ 0.0104836400000000, 0.0131253800000000, 0.0257639700000000 ] - [ 0.0250644800000000, 0.1026501700000000, 0.0240370700000000 ] - [ -0.0098373600000000, -0.0201737600000000, -0.0023109600000000 ] - [ -0.0092247000000000, -0.0215203400000000, -0.0025168500000000 ] - [ -0.0099295500000000, -0.0214625400000000, -0.0022851200000000 ] - [ 0.0093767300000000, -0.0216101300000000, 0.0021232800000000 ] - [ 0.0108494200000000, -0.0219912600000000, 0.0028007500000000 ] - [ 0.0101561300000000, -0.0216505600000000, 0.0022973700000000 ] - [ 0.0059227800000000, -0.0219381900000000, -0.0003024100000000 ] - [ 0.0062328800000000, 0.0205419500000000, -0.0008119300000000 ] - [ 0.0098878100000000, 0.0213732000000000, 0.0026074300000000 ] - [ 0.0129098600000000, 0.0116135600000000, 0.0045964000000000 ] - [ 0.0087144200000000, 0.0205544900000000, 0.0021398300000000 ] - [ -0.0097246800000000, 0.0226569500000000, -0.0023500900000000 ] - [ -0.0097599200000000, 0.0228003700000000, -0.0026424700000000 ] - [ -0.0099189900000000, 0.0207655000000000, -0.0018819100000000 ] - [ -0.0097043200000000, 0.0209369700000000, -0.0020453600000000 ]- atom: 65 displacement: [ -0.0056150292973469, 0.0000000000000000, 0.0082747474879863 ] forces: - [ -0.0264011300000000, 0.0208842900000000, 0.0198794400000000 ] - [ -0.0246344000000000, 0.0185827600000000, 0.0200235100000000 ] - [ -0.0306222000000000, 0.0272588300000000, 0.0351814200000000 ] - [ -0.0246380900000000, 0.0188106000000000, 0.0205394400000000 ] - [ 0.0289885900000000, 0.0185149600000000, -0.0214570500000000 ] - [ 0.0213792700000000, 0.0174563000000000, -0.0136155900000000 ] - [ 0.0259486900000000, 0.0185262900000000, -0.0208762100000000 ] - [ 0.0246347900000000, 0.0183382000000000, -0.0210390900000000 ] - [ 0.0181091100000000, -0.0140061800000000, -0.0238161900000000 ] - [ 0.0260922300000000, -0.0182684700000000, -0.0219523000000000 ] - [ 0.0250648300000000, -0.0192020000000000, -0.0201945900000000 ] - [ 0.0249024700000000, -0.0186554400000000, -0.0204465300000000 ] - [ -0.0212417300000000, -0.0220305100000000, 0.0180004500000000 ] - [ -0.0256619400000000, -0.0184282600000000, 0.0218491100000000 ] - [ -0.0241965300000000, -0.0177010200000000, 0.0202307200000000 ] - [ -0.0252381700000000, -0.0184614700000000, 0.0209079500000000 ] - [ -0.0063764900000000, -0.0037946300000000, 0.0030615100000000 ] - [ 0.0005190700000000, -0.0002435300000000, 0.0003904100000000 ] - [ 0.0000805700000000, -0.0001336100000000, -0.0000434500000000 ] - [ 0.0002843700000000, 0.0002219200000000, 0.0000962900000000 ] - [ -0.0000734700000000, 0.0004595600000000, -0.0012086800000000 ] - [ -0.0000544100000000, 0.0000956300000000, -0.0006116300000000 ] - [ -0.0000625800000000, -0.0005154300000000, -0.0003852200000000 ] - [ 0.0000932600000000, 0.0000292900000000, -0.0000637200000000 ] - [ -0.0149255800000000, -0.0072227100000000, 0.0223210300000000 ] - [ 0.0038848800000000, -0.0013372200000000, 0.0011220900000000 ] - [ -0.0013916400000000, 0.0007258900000000, 0.0019550600000000 ] - [ 0.0006795000000000, -0.0000020600000000, -0.0001503300000000 ] - [ 0.0042007000000000, -0.0009490800000000, -0.0064646600000000 ] - [ -0.0068563200000000, 0.0002098400000000, -0.0006623900000000 ] - [ 0.0002454200000000, -0.0006381300000000, -0.0012939900000000 ] - [ -0.0003058100000000, -0.0000863500000000, 0.0003336900000000 ] - [ -0.0063861000000000, 0.0085098000000000, 0.0085031100000000 ] - [ -0.0095476400000000, 0.0053333800000000, 0.0106657300000000 ] - [ -0.0079531900000000, 0.0052951700000000, 0.0098401800000000 ] - [ -0.0085321400000000, 0.0051774400000000, 0.0106552700000000 ] - [ 0.0074534200000000, 0.0055793900000000, -0.0096484500000000 ] - [ 0.0145518800000000, 0.0063261100000000, -0.0029049100000000 ] - [ 0.0084745600000000, 0.0053183100000000, -0.0103007500000000 ] - [ 0.0092122800000000, 0.0053760800000000, -0.0102039800000000 ] - [ 0.0059691800000000, -0.0078835100000000, -0.0163940200000000 ] - [ 0.0008655600000000, -0.0028625600000000, -0.0108799600000000 ] - [ 0.0082459700000000, -0.0054102400000000, -0.0109351500000000 ] - [ 0.0081568100000000, -0.0051691200000000, -0.0111758500000000 ] - [ -0.0086871800000000, -0.0054045200000000, 0.0115462100000000 ] - [ -0.0080768100000000, -0.0052494500000000, 0.0110159100000000 ] - [ -0.0105573300000000, -0.0056704600000000, 0.0137194900000000 ] - [ -0.0064823500000000, -0.0069383500000000, 0.0125703700000000 ] - [ 0.0044260700000000, -0.0254732000000000, 0.0261443100000000 ] - [ 0.0119731400000000, -0.0131873300000000, 0.0242547500000000 ] - [ 0.0097506400000000, -0.0074185200000000, 0.0212151300000000 ] - [ 0.0110209200000000, -0.0132864300000000, 0.0248677700000000 ] - [ -0.0151747700000000, -0.0128324700000000, -0.0222826800000000 ] - [ -0.0103839400000000, -0.0134447700000000, -0.0257626200000000 ] - [ -0.0111055100000000, -0.0134790100000000, -0.0243656500000000 ] - [ -0.0110977800000000, -0.0129945200000000, -0.0247954600000000 ] - [ -0.0057947200000000, 0.0223405900000000, -0.0178422900000000 ] - [ -0.0117151600000000, 0.0133155300000000, -0.0244191600000000 ] - [ -0.0108394000000000, 0.0127648700000000, -0.0250039600000000 ] - [ -0.0112397600000000, 0.0132175300000000, -0.0248269300000000 ] - [ 0.0110731500000000, 0.0141079800000000, 0.0253114500000000 ] - [ 0.0109299500000000, 0.0128611500000000, 0.0244705200000000 ] - [ 0.0074096400000000, 0.0105551000000000, 0.0311451100000000 ] - [ 0.0112886300000000, 0.0133601800000000, 0.0246193700000000 ] - [ 0.0291965300000000, -0.0224335600000000, -0.0523745800000000 ] - [ -0.0103761400000000, -0.0214927700000000, -0.0023873200000000 ] - [ -0.0096218700000000, -0.0210090600000000, -0.0023276700000000 ] - [ -0.0102508600000000, -0.0213818100000000, -0.0018037300000000 ] - [ 0.0094536300000000, -0.0215736500000000, 0.0030398700000000 ] - [ 0.0102903600000000, -0.0215745200000000, 0.0022450900000000 ] - [ 0.0089927000000000, -0.0212257200000000, 0.0027432700000000 ] - [ 0.0129949300000000, -0.0217503500000000, 0.0040773500000000 ] - [ 0.0089855700000000, 0.0217776300000000, -0.0010784100000000 ] - [ 0.0096222600000000, 0.0212843200000000, 0.0020912700000000 ] - [ 0.0105287700000000, 0.0213557900000000, 0.0000299900000000 ] - [ 0.0090443600000000, 0.0208254400000000, 0.0027108200000000 ] - [ -0.0103764500000000, 0.0212418600000000, -0.0009787400000000 ] - [ -0.0080948100000000, 0.0212630200000000, -0.0020606800000000 ] - [ -0.0103378500000000, 0.0217745200000000, -0.0020232400000000 ] - [ -0.0097063600000000, 0.0217464600000000, -0.0023166300000000 ]- atom: 65 displacement: [ 0.0056150292973469, 0.0000000000000000, -0.0082747474879863 ] forces: - [ -0.0237756600000000, 0.0164930500000000, 0.0211698300000000 ] - [ -0.0253383100000000, 0.0186734400000000, 0.0211407100000000 ] - [ -0.0194207400000000, 0.0093367700000000, 0.0054332900000000 ] - [ -0.0253166700000000, 0.0184698600000000, 0.0205940000000000 ] - [ 0.0211233500000000, 0.0188006400000000, -0.0196528500000000 ] - [ 0.0286140300000000, 0.0197271700000000, -0.0276818700000000 ] - [ 0.0240856100000000, 0.0187931900000000, -0.0201914700000000 ] - [ 0.0255103300000000, 0.0189033100000000, -0.0202078900000000 ] - [ 0.0320861200000000, -0.0233400900000000, -0.0171504600000000 ] - [ 0.0238500400000000, -0.0189901600000000, -0.0191983700000000 ] - [ 0.0251180000000000, -0.0180311000000000, -0.0209018600000000 ] - [ 0.0250803700000000, -0.0186357200000000, -0.0207121700000000 ] - [ -0.0288472000000000, -0.0153211900000000, 0.0230829100000000 ] - [ -0.0243351300000000, -0.0187977500000000, 0.0194761500000000 ] - [ -0.0258502500000000, -0.0196172800000000, 0.0208349000000000 ] - [ -0.0248896100000000, -0.0187388500000000, 0.0203359000000000 ] - [ 0.0060865400000000, 0.0035590300000000, -0.0030624000000000 ] - [ -0.0004948000000000, 0.0002152200000000, -0.0003519900000000 ] - [ -0.0001037900000000, 0.0001580600000000, 0.0000087500000000 ] - [ -0.0002661100000000, -0.0002173800000000, -0.0000728900000000 ] - [ 0.0000230300000000, -0.0004803000000000, 0.0012081400000000 ] - [ 0.0001143800000000, -0.0000908900000000, 0.0006126800000000 ] - [ 0.0000021400000000, 0.0005170200000000, 0.0004049300000000 ] - [ -0.0000385700000000, -0.0000105800000000, 0.0000501200000000 ] - [ 0.0145704300000000, 0.0067069200000000, -0.0224247400000000 ] - [ -0.0038575000000000, 0.0013276800000000, -0.0011193200000000 ] - [ 0.0013405600000000, -0.0006967900000000, -0.0019811800000000 ] - [ -0.0006438400000000, -0.0000145500000000, 0.0001518700000000 ] - [ -0.0041418800000000, 0.0009649700000000, 0.0064913200000000 ] - [ 0.0068868700000000, -0.0002372500000000, 0.0006757900000000 ] - [ -0.0002436000000000, 0.0006482300000000, 0.0012852000000000 ] - [ 0.0002671100000000, 0.0000862000000000, -0.0003348600000000 ] - [ -0.0103287000000000, 0.0019823700000000, 0.0131101900000000 ] - [ -0.0073683400000000, 0.0052510000000000, 0.0109210600000000 ] - [ -0.0089090700000000, 0.0052816400000000, 0.0117682200000000 ] - [ -0.0083489500000000, 0.0054085400000000, 0.0109455000000000 ] - [ 0.0093591900000000, 0.0049451900000000, -0.0119864100000000 ] - [ 0.0023356300000000, 0.0043150500000000, -0.0187373000000000 ] - [ 0.0083578600000000, 0.0052346900000000, -0.0113186100000000 ] - [ 0.0077788100000000, 0.0052891700000000, -0.0113509800000000 ] - [ 0.0107492900000000, -0.0025961700000000, -0.0052346700000000 ] - [ 0.0159821700000000, -0.0077048300000000, -0.0107172000000000 ] - [ 0.0086496600000000, -0.0051927400000000, -0.0106419500000000 ] - [ 0.0087169100000000, -0.0054166800000000, -0.0104270700000000 ] - [ -0.0081476600000000, -0.0051544000000000, 0.0100730700000000 ] - [ -0.0089133800000000, -0.0054004100000000, 0.0105402300000000 ] - [ -0.0062211200000000, -0.0048506500000000, 0.0078988100000000 ] - [ -0.0105068600000000, -0.0037263200000000, 0.0090039500000000 ] - [ 0.0174240000000000, -0.0005754800000000, 0.0237151500000000 ] - [ 0.0097917300000000, -0.0130645600000000, 0.0255970400000000 ] - [ 0.0120556200000000, -0.0188937100000000, 0.0286554500000000 ] - [ 0.0107427200000000, -0.0129437000000000, 0.0249947500000000 ] - [ -0.0065559100000000, -0.0134361600000000, -0.0277084000000000 ] - [ -0.0113548700000000, -0.0127672500000000, -0.0240267600000000 ] - [ -0.0106550300000000, -0.0127664500000000, -0.0254958100000000 ] - [ -0.0106800600000000, -0.0132361700000000, -0.0249549900000000 ] - [ -0.0158415300000000, 0.0040636400000000, -0.0318976100000000 ] - [ -0.0100361100000000, 0.0129282600000000, -0.0254374900000000 ] - [ -0.0109391000000000, 0.0134922100000000, -0.0248313400000000 ] - [ -0.0105299700000000, 0.0130271100000000, -0.0250311100000000 ] - [ 0.0106903900000000, 0.0121183600000000, 0.0245576800000000 ] - [ 0.0108642900000000, 0.0133635400000000, 0.0252963700000000 ] - [ 0.0142645700000000, 0.0156575700000000, 0.0188415300000000 ] - [ 0.0104950800000000, 0.0128825200000000, 0.0251359000000000 ] - [ -0.0485048300000000, -0.0192123400000000, 0.0483151000000000 ] - [ -0.0093457100000000, -0.0214718800000000, -0.0021470400000000 ] - [ -0.0100626700000000, -0.0219923400000000, -0.0022088600000000 ] - [ -0.0094200600000000, -0.0215339100000000, -0.0027076200000000 ] - [ 0.0102104000000000, -0.0213278900000000, 0.0014593100000000 ] - [ 0.0094442800000000, -0.0215010000000000, 0.0023355200000000 ] - [ 0.0106563300000000, -0.0216483000000000, 0.0017594600000000 ] - [ 0.0067018700000000, -0.0213075100000000, 0.0004780800000000 ] - [ 0.0106203500000000, 0.0210070100000000, 0.0055628400000000 ] - [ 0.0100687300000000, 0.0216908000000000, 0.0024433200000000 ] - [ 0.0091700400000000, 0.0216356500000000, 0.0044876600000000 ] - [ 0.0106085800000000, 0.0220998100000000, 0.0018037200000000 ] - [ -0.0092997400000000, 0.0216462600000000, -0.0035059700000000 ] - [ -0.0116340400000000, 0.0218228700000000, -0.0025163500000000 ] - [ -0.0093189700000000, 0.0211094600000000, -0.0024746500000000 ] - [ -0.0100111000000000, 0.0213071800000000, -0.0022538900000000 ]