# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/49f6f005-98bb-4c67-a830-138fac0a4965/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 Te6Cl2O11 / Cmcm (63) / materials id 27808](https://mdr.nims.go.jp/datasets/ee481f0a-e33f-4e91-b544-250ea941eb98) ## 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: "Cmcm" number: 63 Hall_symbol: "-C 2c 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.776729790000000, -3.400985920000000, 0.000000000000000 ] # a - [ 5.776729790000000, 3.400985920000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.250847970000001 ] # c points: - symbol: O # 1 coordinates: [ 0.415834080000000, 0.584165920000000, 0.886607440000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.584165920000000, 0.415834080000000, 0.386607440000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.584165920000000, 0.415834080000000, 0.113392560000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.415834080000000, 0.584165920000000, 0.613392560000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.821522700000000, 0.488315320000000, 0.961568380000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.178477300000000, 0.511684680000000, 0.461568380000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.178477300000000, 0.511684680000000, 0.038431620000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.821522700000000, 0.488315320000000, 0.538431620000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.511684680000000, 0.178477300000000, 0.961568380000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.488315320000000, 0.821522700000000, 0.461568380000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.488315320000000, 0.821522700000000, 0.038431620000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.511684680000000, 0.178477300000000, 0.538431620000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.943159510000000, 0.809233390000000, 0.906143590000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.056840490000000, 0.190766610000000, 0.406143590000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.056840490000000, 0.190766610000000, 0.093856410000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.943159510000000, 0.809233390000000, 0.593856410000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.942966840000000, 0.057033160000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.057033160000000, 0.942966840000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.190766610000000, 0.056840490000000, 0.593856410000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.809233390000000, 0.943159510000000, 0.093856410000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.809233390000000, 0.943159510000000, 0.406143590000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.190766610000000, 0.056840490000000, 0.906143590000000 ] mass: 15.999400 - symbol: Cl # 23 coordinates: [ 0.856519820000000, 0.472782980000000, 0.750000000000000 ] mass: 35.453000 - symbol: Cl # 24 coordinates: [ 0.143480180000000, 0.527217020000000, 0.250000000000000 ] mass: 35.453000 - symbol: Cl # 25 coordinates: [ 0.527217020000000, 0.143480180000000, 0.750000000000000 ] mass: 35.453000 - symbol: Cl # 26 coordinates: [ 0.472782980000000, 0.856519820000000, 0.250000000000000 ] mass: 35.453000 - symbol: Te # 27 coordinates: [ 0.522514650000000, 0.801019390000000, 0.912153030000000 ] mass: 127.600000 - symbol: Te # 28 coordinates: [ 0.477485350000000, 0.198980610000000, 0.412153030000000 ] mass: 127.600000 - symbol: Te # 29 coordinates: [ 0.477485350000000, 0.198980610000000, 0.087846970000000 ] mass: 127.600000 - symbol: Te # 30 coordinates: [ 0.522514650000000, 0.801019390000000, 0.587846970000000 ] mass: 127.600000 - symbol: Te # 31 coordinates: [ 0.198980610000000, 0.477485350000000, 0.912153030000000 ] mass: 127.600000 - symbol: Te # 32 coordinates: [ 0.801019390000000, 0.522514650000000, 0.412153030000000 ] mass: 127.600000 - symbol: Te # 33 coordinates: [ 0.801019390000000, 0.522514650000000, 0.087846970000000 ] mass: 127.600000 - symbol: Te # 34 coordinates: [ 0.198980610000000, 0.477485350000000, 0.587846970000000 ] mass: 127.600000 - symbol: Te # 35 coordinates: [ 0.907679770000000, 0.092320230000000, 0.860256470000000 ] mass: 127.600000 - symbol: Te # 36 coordinates: [ 0.092320230000000, 0.907679770000000, 0.360256470000000 ] mass: 127.600000 - symbol: Te # 37 coordinates: [ 0.092320230000000, 0.907679770000000, 0.139743530000000 ] mass: 127.600000 - symbol: Te # 38 coordinates: [ 0.907679770000000, 0.092320230000000, 0.639743530000000 ] mass: 127.600000 reciprocal_lattice: # without 2pi - [ 0.086554160948560, -0.147016192292851, 0.000000000000000 ] # a* - [ 0.086554160948560, 0.147016192292851, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.065570124491904 ] # c*unit_cell: lattice: - [ 11.553459580000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.801971840000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.250847970000001 ] # c points: - symbol: O # 1 coordinates: [ 0.500000000000000, 0.084165920000000, 0.886607440000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.000000000000000, 0.415834080000000, 0.386607440000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.000000000000000, 0.415834080000000, 0.113392560000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.500000000000000, 0.084165920000000, 0.613392560000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.154919010000000, 0.333396310000000, 0.961568380000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.345080990000000, 0.166603690000000, 0.461568380000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.345080990000000, 0.166603690000000, 0.038431620000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.154919010000000, 0.333396310000000, 0.538431620000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.845080990000000, 0.333396310000000, 0.961568380000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.654919010000000, 0.166603690000000, 0.461568380000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.654919010000000, 0.166603690000000, 0.038431620000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.845080990000000, 0.333396310000000, 0.538431620000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.876196450000000, 0.933036940000000, 0.906143590000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.623803550000000, 0.566963060000000, 0.406143590000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.623803550000000, 0.566963060000000, 0.093856410000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.876196450000000, 0.933036940000000, 0.593856410000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.000000000000000, 0.057033160000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.442966840000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.623803550000000, 0.433036940000000, 0.593856410000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.876196450000000, 0.066963060000000, 0.093856410000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.876196450000000, 0.066963060000000, 0.406143590000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.623803550000000, 0.433036940000000, 0.906143590000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.584165920000000, 0.886607440000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 24 coordinates: [ 0.500000000000000, 0.915834080000000, 0.386607440000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 25 coordinates: [ 0.500000000000000, 0.915834080000000, 0.113392560000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 26 coordinates: [ 0.000000000000000, 0.584165920000000, 0.613392560000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 27 coordinates: [ 0.654919010000000, 0.833396310000000, 0.961568380000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 28 coordinates: [ 0.845080990000000, 0.666603690000000, 0.461568380000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 29 coordinates: [ 0.845080990000000, 0.666603690000000, 0.038431620000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 30 coordinates: [ 0.654919010000000, 0.833396310000000, 0.538431620000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 31 coordinates: [ 0.345080990000000, 0.833396310000000, 0.961568380000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 32 coordinates: [ 0.154919010000000, 0.666603690000000, 0.461568380000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 33 coordinates: [ 0.154919010000000, 0.666603690000000, 0.038431620000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 34 coordinates: [ 0.345080990000000, 0.833396310000000, 0.538431620000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 35 coordinates: [ 0.376196450000000, 0.433036940000000, 0.906143590000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 36 coordinates: [ 0.123803550000000, 0.066963060000000, 0.406143590000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 37 coordinates: [ 0.123803550000000, 0.066963060000000, 0.093856410000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 38 coordinates: [ 0.376196450000000, 0.433036940000000, 0.593856410000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 39 coordinates: [ 0.500000000000000, 0.557033160000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 40 coordinates: [ 0.000000000000000, 0.942966840000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 41 coordinates: [ 0.123803550000000, 0.933036940000000, 0.593856410000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 42 coordinates: [ 0.376196450000000, 0.566963060000000, 0.093856410000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 43 coordinates: [ 0.376196450000000, 0.566963060000000, 0.406143590000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 44 coordinates: [ 0.123803550000000, 0.933036940000000, 0.906143590000000 ] mass: 15.999400 reduced_to: 22 - symbol: Cl # 45 coordinates: [ 0.164651400000000, 0.308131580000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.335348600000000, 0.191868420000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 46 - symbol: Cl # 47 coordinates: [ 0.835348600000000, 0.308131580000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 47 - symbol: Cl # 48 coordinates: [ 0.664651400000000, 0.191868420000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 48 - symbol: Cl # 49 coordinates: [ 0.664651400000000, 0.808131580000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 50 coordinates: [ 0.835348600000000, 0.691868420000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 46 - symbol: Cl # 51 coordinates: [ 0.335348600000000, 0.808131580000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 47 - symbol: Cl # 52 coordinates: [ 0.164651400000000, 0.691868420000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 48 - symbol: Te # 53 coordinates: [ 0.661767020000000, 0.139252370000000, 0.912153030000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 54 coordinates: [ 0.838232980000000, 0.360747630000000, 0.412153030000000 ] mass: 127.600000 reduced_to: 54 - symbol: Te # 55 coordinates: [ 0.838232980000000, 0.360747630000000, 0.087846970000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 56 coordinates: [ 0.661767020000000, 0.139252370000000, 0.587846970000000 ] mass: 127.600000 reduced_to: 56 - symbol: Te # 57 coordinates: [ 0.838232980000000, 0.639252370000000, 0.912153030000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 58 coordinates: [ 0.661767020000000, 0.860747630000000, 0.412153030000000 ] mass: 127.600000 reduced_to: 58 - symbol: Te # 59 coordinates: [ 0.661767020000000, 0.860747630000000, 0.087846970000000 ] mass: 127.600000 reduced_to: 59 - symbol: Te # 60 coordinates: [ 0.838232980000000, 0.639252370000000, 0.587846970000000 ] mass: 127.600000 reduced_to: 60 - symbol: Te # 61 coordinates: [ 0.000000000000000, 0.092320230000000, 0.860256470000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 62 coordinates: [ 0.500000000000000, 0.407679770000000, 0.360256470000000 ] mass: 127.600000 reduced_to: 62 - symbol: Te # 63 coordinates: [ 0.500000000000000, 0.407679770000000, 0.139743530000000 ] mass: 127.600000 reduced_to: 63 - symbol: Te # 64 coordinates: [ 0.000000000000000, 0.092320230000000, 0.639743530000000 ] mass: 127.600000 reduced_to: 64 - symbol: Te # 65 coordinates: [ 0.161767020000000, 0.639252370000000, 0.912153030000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 66 coordinates: [ 0.338232980000000, 0.860747630000000, 0.412153030000000 ] mass: 127.600000 reduced_to: 54 - symbol: Te # 67 coordinates: [ 0.338232980000000, 0.860747630000000, 0.087846970000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 68 coordinates: [ 0.161767020000000, 0.639252370000000, 0.587846970000000 ] mass: 127.600000 reduced_to: 56 - symbol: Te # 69 coordinates: [ 0.338232980000000, 0.139252370000000, 0.912153030000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 70 coordinates: [ 0.161767020000000, 0.360747630000000, 0.412153030000000 ] mass: 127.600000 reduced_to: 58 - symbol: Te # 71 coordinates: [ 0.161767020000000, 0.360747630000000, 0.087846970000000 ] mass: 127.600000 reduced_to: 59 - symbol: Te # 72 coordinates: [ 0.338232980000000, 0.139252370000000, 0.587846970000000 ] mass: 127.600000 reduced_to: 60 - symbol: Te # 73 coordinates: [ 0.500000000000000, 0.592320230000000, 0.860256470000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 74 coordinates: [ 0.000000000000000, 0.907679770000000, 0.360256470000000 ] mass: 127.600000 reduced_to: 62 - symbol: Te # 75 coordinates: [ 0.000000000000000, 0.907679770000000, 0.139743530000000 ] mass: 127.600000 reduced_to: 63 - symbol: Te # 76 coordinates: [ 0.500000000000000, 0.592320230000000, 0.639743530000000 ] mass: 127.600000 reduced_to: 64supercell: lattice: - [ 11.553459580000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.801971840000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.250847970000001 ] # c points: - symbol: O # 1 coordinates: [ 0.500000000000000, 0.084165920000000, 0.886607440000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.000000000000000, 0.415834080000000, 0.386607440000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.000000000000000, 0.415834080000000, 0.113392560000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.500000000000000, 0.084165920000000, 0.613392560000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.154919010000000, 0.333396310000000, 0.961568380000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.345080990000000, 0.166603690000000, 0.461568380000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.345080990000000, 0.166603690000000, 0.038431620000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.154919010000000, 0.333396310000000, 0.538431620000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.845080990000000, 0.333396310000000, 0.961568380000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.654919010000000, 0.166603690000000, 0.461568380000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.654919010000000, 0.166603690000000, 0.038431620000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.845080990000000, 0.333396310000000, 0.538431620000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.876196450000000, 0.933036940000000, 0.906143590000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.623803550000000, 0.566963060000000, 0.406143590000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.623803550000000, 0.566963060000000, 0.093856410000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.876196450000000, 0.933036940000000, 0.593856410000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.000000000000000, 0.057033160000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.442966840000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.623803550000000, 0.433036940000000, 0.593856410000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.876196450000000, 0.066963060000000, 0.093856410000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.876196450000000, 0.066963060000000, 0.406143590000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.623803550000000, 0.433036940000000, 0.906143590000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.584165920000000, 0.886607440000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 24 coordinates: [ 0.500000000000000, 0.915834080000000, 0.386607440000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 25 coordinates: [ 0.500000000000000, 0.915834080000000, 0.113392560000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 26 coordinates: [ 0.000000000000000, 0.584165920000000, 0.613392560000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 27 coordinates: [ 0.654919010000000, 0.833396310000000, 0.961568380000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 28 coordinates: [ 0.845080990000000, 0.666603690000000, 0.461568380000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 29 coordinates: [ 0.845080990000000, 0.666603690000000, 0.038431620000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 30 coordinates: [ 0.654919010000000, 0.833396310000000, 0.538431620000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 31 coordinates: [ 0.345080990000000, 0.833396310000000, 0.961568380000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 32 coordinates: [ 0.154919010000000, 0.666603690000000, 0.461568380000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 33 coordinates: [ 0.154919010000000, 0.666603690000000, 0.038431620000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 34 coordinates: [ 0.345080990000000, 0.833396310000000, 0.538431620000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 35 coordinates: [ 0.376196450000000, 0.433036940000000, 0.906143590000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 36 coordinates: [ 0.123803550000000, 0.066963060000000, 0.406143590000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 37 coordinates: [ 0.123803550000000, 0.066963060000000, 0.093856410000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 38 coordinates: [ 0.376196450000000, 0.433036940000000, 0.593856410000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 39 coordinates: [ 0.500000000000000, 0.557033160000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 40 coordinates: [ 0.000000000000000, 0.942966840000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 41 coordinates: [ 0.123803550000000, 0.933036940000000, 0.593856410000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 42 coordinates: [ 0.376196450000000, 0.566963060000000, 0.093856410000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 43 coordinates: [ 0.376196450000000, 0.566963060000000, 0.406143590000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 44 coordinates: [ 0.123803550000000, 0.933036940000000, 0.906143590000000 ] mass: 15.999400 reduced_to: 22 - symbol: Cl # 45 coordinates: [ 0.164651400000000, 0.308131580000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.335348600000000, 0.191868420000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 46 - symbol: Cl # 47 coordinates: [ 0.835348600000000, 0.308131580000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 47 - symbol: Cl # 48 coordinates: [ 0.664651400000000, 0.191868420000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 48 - symbol: Cl # 49 coordinates: [ 0.664651400000000, 0.808131580000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 50 coordinates: [ 0.835348600000000, 0.691868420000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 46 - symbol: Cl # 51 coordinates: [ 0.335348600000000, 0.808131580000000, 0.750000000000000 ] mass: 35.453000 reduced_to: 47 - symbol: Cl # 52 coordinates: [ 0.164651400000000, 0.691868420000000, 0.250000000000000 ] mass: 35.453000 reduced_to: 48 - symbol: Te # 53 coordinates: [ 0.661767020000000, 0.139252370000000, 0.912153030000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 54 coordinates: [ 0.838232980000000, 0.360747630000000, 0.412153030000000 ] mass: 127.600000 reduced_to: 54 - symbol: Te # 55 coordinates: [ 0.838232980000000, 0.360747630000000, 0.087846970000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 56 coordinates: [ 0.661767020000000, 0.139252370000000, 0.587846970000000 ] mass: 127.600000 reduced_to: 56 - symbol: Te # 57 coordinates: [ 0.838232980000000, 0.639252370000000, 0.912153030000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 58 coordinates: [ 0.661767020000000, 0.860747630000000, 0.412153030000000 ] mass: 127.600000 reduced_to: 58 - symbol: Te # 59 coordinates: [ 0.661767020000000, 0.860747630000000, 0.087846970000000 ] mass: 127.600000 reduced_to: 59 - symbol: Te # 60 coordinates: [ 0.838232980000000, 0.639252370000000, 0.587846970000000 ] mass: 127.600000 reduced_to: 60 - symbol: Te # 61 coordinates: [ 0.000000000000000, 0.092320230000000, 0.860256470000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 62 coordinates: [ 0.500000000000000, 0.407679770000000, 0.360256470000000 ] mass: 127.600000 reduced_to: 62 - symbol: Te # 63 coordinates: [ 0.500000000000000, 0.407679770000000, 0.139743530000000 ] mass: 127.600000 reduced_to: 63 - symbol: Te # 64 coordinates: [ 0.000000000000000, 0.092320230000000, 0.639743530000000 ] mass: 127.600000 reduced_to: 64 - symbol: Te # 65 coordinates: [ 0.161767020000000, 0.639252370000000, 0.912153030000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 66 coordinates: [ 0.338232980000000, 0.860747630000000, 0.412153030000000 ] mass: 127.600000 reduced_to: 54 - symbol: Te # 67 coordinates: [ 0.338232980000000, 0.860747630000000, 0.087846970000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 68 coordinates: [ 0.161767020000000, 0.639252370000000, 0.587846970000000 ] mass: 127.600000 reduced_to: 56 - symbol: Te # 69 coordinates: [ 0.338232980000000, 0.139252370000000, 0.912153030000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 70 coordinates: [ 0.161767020000000, 0.360747630000000, 0.412153030000000 ] mass: 127.600000 reduced_to: 58 - symbol: Te # 71 coordinates: [ 0.161767020000000, 0.360747630000000, 0.087846970000000 ] mass: 127.600000 reduced_to: 59 - symbol: Te # 72 coordinates: [ 0.338232980000000, 0.139252370000000, 0.587846970000000 ] mass: 127.600000 reduced_to: 60 - symbol: Te # 73 coordinates: [ 0.500000000000000, 0.592320230000000, 0.860256470000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 74 coordinates: [ 0.000000000000000, 0.907679770000000, 0.360256470000000 ] mass: 127.600000 reduced_to: 62 - symbol: Te # 75 coordinates: [ 0.000000000000000, 0.907679770000000, 0.139743530000000 ] mass: 127.600000 reduced_to: 63 - symbol: Te # 76 coordinates: [ 0.500000000000000, 0.592320230000000, 0.639743530000000 ] mass: 127.600000 reduced_to: 64displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2742865000000000, -0.0013832500000000, -0.0024684000000000 ] - [ 0.0005677200000000, -0.0002279400000000, -0.0004502300000000 ] - [ 0.0106164300000000, -0.0002258500000000, 0.0004567500000000 ] - [ -0.0010214200000000, 0.0002280800000000, 0.0004569700000000 ] - [ 0.0100290300000000, -0.0083808500000000, -0.0092496500000000 ] - [ -0.0010393700000000, -0.0002576100000000, -0.0004803300000000 ] - [ -0.0000832900000000, -0.0008971100000000, -0.0190452700000000 ] - [ 0.0010951200000000, 0.0003711300000000, 0.0009254600000000 ] - [ 0.0083080300000000, 0.0089273600000000, 0.0078139400000000 ] - [ 0.0007856500000000, -0.0002123000000000, -0.0009681500000000 ] - [ 0.0016515200000000, 0.0004282300000000, 0.0206743600000000 ] - [ -0.0007307900000000, 0.0000981500000000, 0.0005421600000000 ] - [ 0.0118764000000000, -0.0006473000000000, -0.0020054600000000 ] - [ -0.0008047900000000, -0.0002684300000000, -0.0005880800000000 ] - [ -0.0042241000000000, -0.0041398500000000, 0.0026444700000000 ] - [ 0.0012499700000000, 0.0007571700000000, 0.0006432300000000 ] - [ 0.0005356500000000, -0.0000912100000000, 0.0000030000000000 ] - [ -0.0020104500000000, 0.0000727000000000, 0.0000136600000000 ] - [ -0.0012448900000000, 0.0006076000000000, 0.0005846500000000 ] - [ 0.0039169000000000, -0.0027926900000000, 0.0020840500000000 ] - [ 0.0008035400000000, -0.0002660500000000, -0.0005937600000000 ] - [ -0.0069925800000000, 0.0202821300000000, -0.0033091900000000 ] - [ 0.0112791300000000, 0.0002303200000000, -0.0004560400000000 ] - [ -0.0005351700000000, -0.0002278000000000, -0.0004497700000000 ] - [ -0.0103687100000000, -0.0002248100000000, 0.0004451200000000 ] - [ 0.0012736100000000, 0.0002277900000000, 0.0004526600000000 ] - [ 0.0081356300000000, -0.0100769200000000, 0.0093558500000000 ] - [ -0.0007649100000000, -0.0001949300000000, -0.0010989600000000 ] - [ 0.0005889800000000, 0.0005942400000000, 0.0027667400000000 ] - [ 0.0007308000000000, 0.0001803000000000, 0.0005987600000000 ] - [ 0.0062159600000000, 0.0103873200000000, -0.0106521500000000 ] - [ 0.0010600600000000, -0.0002746900000000, -0.0003539200000000 ] - [ 0.0023963500000000, -0.0010643700000000, -0.0013145300000000 ] - [ -0.0010923500000000, 0.0002911000000000, 0.0008710500000000 ] - [ -0.0058573400000000, -0.0202604400000000, 0.0022798700000000 ] - [ -0.0002110400000000, 0.0003327500000000, -0.0003992200000000 ] - [ 0.0029023800000000, 0.0028558400000000, -0.0010917400000000 ] - [ -0.0002242500000000, -0.0006699000000000, 0.0004153900000000 ] - [ -0.0005189700000000, -0.0000896300000000, 0.0000096300000000 ] - [ 0.0012671800000000, 0.0000911300000000, -0.0000009700000000 ] - [ 0.0002331900000000, -0.0008177000000000, 0.0003548600000000 ] - [ -0.0031972100000000, 0.0041911900000000, -0.0016382500000000 ] - [ 0.0002068400000000, 0.0003384600000000, -0.0004030000000000 ] - [ 0.0108503700000000, 0.0005753500000000, 0.0010065700000000 ] - [ 0.0029667800000000, 0.0003924700000000, 0.0026704000000000 ] - [ -0.0008158900000000, -0.0011310700000000, -0.0006390700000000 ] - [ 0.0034506400000000, 0.0003632600000000, -0.0026611700000000 ] - [ -0.0013128100000000, 0.0003675200000000, 0.0006538100000000 ] - [ -0.0011767600000000, -0.0031202500000000, -0.0026067600000000 ] - [ 0.0012137400000000, 0.0001345800000000, 0.0006359000000000 ] - [ -0.0006832500000000, 0.0038627300000000, 0.0025714400000000 ] - [ 0.0007146100000000, -0.0008994900000000, -0.0006322500000000 ] - [ 0.1150435900000000, 0.0140204300000000, 0.0048009100000000 ] - [ -0.0007568500000000, -0.0002831400000000, -0.0005654100000000 ] - [ -0.0087972600000000, -0.0022481400000000, -0.0095714700000000 ] - [ 0.0010895200000000, 0.0001865500000000, 0.0015922200000000 ] - [ -0.0095504200000000, -0.0005818700000000, 0.0035335000000000 ] - [ 0.0007312700000000, -0.0002817100000000, -0.0005911500000000 ] - [ 0.0065928700000000, 0.0068334600000000, -0.0117538000000000 ] - [ -0.0013541200000000, -0.0000354100000000, 0.0016947300000000 ] - [ -0.0162363700000000, 0.0001145600000000, -0.0003758400000000 ] - [ 0.0012974300000000, -0.0001003800000000, -0.0003872000000000 ] - [ 0.0102790100000000, -0.0001075700000000, 0.0003682300000000 ] - [ -0.0031417700000000, 0.0000961700000000, 0.0003727300000000 ] - [ -0.0087925200000000, 0.0015493500000000, -0.0044720600000000 ] - [ 0.0000179300000000, -0.0007082800000000, -0.0003914000000000 ] - [ 0.0058447300000000, -0.0078229800000000, 0.0126958700000000 ] - [ -0.0006386100000000, 0.0010206600000000, -0.0007350400000000 ] - [ 0.1053905300000000, -0.0113673400000000, -0.0040784100000000 ] - [ -0.0000408900000000, -0.0007056500000000, -0.0004148400000000 ] - [ -0.0080531800000000, 0.0012485500000000, 0.0105440800000000 ] - [ 0.0003615100000000, 0.0007949900000000, -0.0006435800000000 ] - [ 0.0269972200000000, 0.0001255400000000, -0.0003545500000000 ] - [ -0.0011827100000000, -0.0000987600000000, -0.0003813500000000 ] - [ -0.0065185900000000, -0.0000982100000000, 0.0003753600000000 ] - [ 0.0036923000000000, 0.0001027300000000, 0.0003640300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0527095200000000, -0.0112747500000000 ] - [ 0.0000000000000000, -0.0002226100000000, -0.0004634000000000 ] - [ 0.0000000000000000, -0.0001747500000000, 0.0002581400000000 ] - [ 0.0000000000000000, 0.0001613800000000, 0.0004588100000000 ] - [ 0.0012887700000000, -0.0002868700000000, -0.0012663500000000 ] - [ -0.0009278500000000, -0.0002409700000000, -0.0007888500000000 ] - [ -0.0026509900000000, -0.0015446600000000, 0.0019583400000000 ] - [ 0.0009095500000000, 0.0002954200000000, 0.0007301200000000 ] - [ -0.0012887700000000, -0.0002868700000000, -0.0012663500000000 ] - [ 0.0009278500000000, -0.0002409700000000, -0.0007888500000000 ] - [ 0.0026509900000000, -0.0015446600000000, 0.0019583400000000 ] - [ -0.0009095500000000, 0.0002954200000000, 0.0007301200000000 ] - [ 0.0006855900000000, 0.0003238600000000, -0.0004069300000000 ] - [ -0.0005070500000000, 0.0000046300000000, -0.0005281200000000 ] - [ -0.0004541800000000, 0.0003637400000000, 0.0006836700000000 ] - [ 0.0004748100000000, -0.0001050400000000, 0.0004772500000000 ] - [ 0.0000000000000000, -0.0001161100000000, -0.0000399100000000 ] - [ 0.0000000000000000, 0.0025703600000000, -0.0023825600000000 ] - [ -0.0003168900000000, -0.0001676600000000, 0.0003354700000000 ] - [ 0.0005813400000000, -0.0000515200000000, 0.0005722400000000 ] - [ 0.0005278500000000, 0.0000152400000000, -0.0005096900000000 ] - [ 0.0094122000000000, 0.0127347200000000, 0.0001732700000000 ] - [ 0.0000000000000000, -0.0000119600000000, -0.0003213600000000 ] - [ 0.0000000000000000, -0.0002204900000000, -0.0004776100000000 ] - [ 0.0000000000000000, 0.0000868400000000, -0.0000216900000000 ] - [ 0.0000000000000000, 0.0002230100000000, 0.0004369600000000 ] - [ -0.0079378300000000, 0.0046289000000000, -0.0049511400000000 ] - [ -0.0009059700000000, -0.0002537100000000, -0.0006794300000000 ] - [ -0.0016556000000000, 0.0003591200000000, 0.0005028600000000 ] - [ 0.0010069500000000, 0.0002467100000000, 0.0006259800000000 ] - [ 0.0079378300000000, 0.0046289000000000, -0.0049511400000000 ] - [ 0.0009059700000000, -0.0002537100000000, -0.0006794300000000 ] - [ 0.0016556000000000, 0.0003591200000000, 0.0005028600000000 ] - [ -0.0010069500000000, 0.0002467100000000, 0.0006259800000000 ] - [ -0.0094122000000000, 0.0127347200000000, 0.0001732700000000 ] - [ -0.0005278500000000, 0.0000152400000000, -0.0005096900000000 ] - [ -0.0005813400000000, -0.0000515200000000, 0.0005722400000000 ] - [ 0.0003168900000000, -0.0001676600000000, 0.0003354700000000 ] - [ 0.0000000000000000, -0.0000557000000000, 0.0000468700000000 ] - [ 0.0000000000000000, 0.0000674900000000, -0.0001446900000000 ] - [ -0.0004748100000000, -0.0001050400000000, 0.0004772500000000 ] - [ 0.0004541800000000, 0.0003637400000000, 0.0006836700000000 ] - [ 0.0005070500000000, 0.0000046300000000, -0.0005281200000000 ] - [ -0.0006855900000000, 0.0003238600000000, -0.0004069300000000 ] - [ -0.0002497600000000, 0.0003881700000000, 0.0000176200000000 ] - [ 0.0001909100000000, -0.0005001100000000, -0.0000421500000000 ] - [ 0.0002497600000000, 0.0003881700000000, 0.0000176200000000 ] - [ -0.0001909100000000, -0.0005001100000000, -0.0000421500000000 ] - [ -0.0007401200000000, 0.0016375900000000, 0.0006724000000000 ] - [ 0.0002271000000000, -0.0003528700000000, -0.0000351600000000 ] - [ 0.0007401200000000, 0.0016375900000000, 0.0006724000000000 ] - [ -0.0002271000000000, -0.0003528700000000, -0.0000351600000000 ] - [ 0.0199287900000000, 0.0174348100000000, 0.0054013300000000 ] - [ -0.0003961500000000, -0.0005025100000000, -0.0004332200000000 ] - [ -0.0011616600000000, -0.0010417500000000, 0.0006265000000000 ] - [ 0.0002577000000000, 0.0007799900000000, 0.0005501400000000 ] - [ -0.0007949500000000, -0.0010376300000000, -0.0017767300000000 ] - [ 0.0003366600000000, -0.0004752300000000, -0.0003652700000000 ] - [ 0.0008159300000000, 0.0003575500000000, 0.0029463700000000 ] - [ -0.0002995500000000, 0.0004659600000000, 0.0003557300000000 ] - [ 0.0000000000000000, -0.0001733000000000, -0.0000605500000000 ] - [ 0.0000000000000000, -0.0000209600000000, -0.0003024100000000 ] - [ 0.0000000000000000, -0.0004165400000000, -0.0005885300000000 ] - [ 0.0000000000000000, 0.0001534200000000, 0.0005577000000000 ] - [ 0.0007949500000000, -0.0010376300000000, -0.0017767300000000 ] - [ -0.0003366600000000, -0.0004752300000000, -0.0003652700000000 ] - [ -0.0008159300000000, 0.0003575500000000, 0.0029463700000000 ] - [ 0.0002995500000000, 0.0004659600000000, 0.0003557300000000 ] - [ -0.0199287900000000, 0.0174348100000000, 0.0054013300000000 ] - [ 0.0003961500000000, -0.0005025100000000, -0.0004332200000000 ] - [ 0.0011616600000000, -0.0010417500000000, 0.0006265000000000 ] - [ -0.0002577000000000, 0.0007799900000000, 0.0005501400000000 ] - [ 0.0000000000000000, -0.0154744500000000, 0.0032194100000000 ] - [ 0.0000000000000000, -0.0000591400000000, -0.0003127400000000 ] - [ 0.0000000000000000, 0.0000849600000000, 0.0004017500000000 ] - [ 0.0000000000000000, -0.0006436700000000, 0.0013180800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0536057100000000, 0.0105017600000000 ] - [ 0.0000000000000000, -0.0002323000000000, -0.0004401400000000 ] - [ 0.0000000000000000, -0.0002790000000000, 0.0006485000000000 ] - [ 0.0000000000000000, 0.0002942500000000, 0.0004440500000000 ] - [ 0.0005278700000000, 0.0007571900000000, -0.0001809500000000 ] - [ -0.0008972200000000, -0.0002283400000000, -0.0006736900000000 ] - [ 0.0008590300000000, 0.0010583700000000, -0.0005168900000000 ] - [ 0.0009155200000000, 0.0001741900000000, 0.0007275900000000 ] - [ -0.0005278700000000, 0.0007571900000000, -0.0001809500000000 ] - [ 0.0008972200000000, -0.0002283400000000, -0.0006736900000000 ] - [ -0.0008590300000000, 0.0010583700000000, -0.0005168900000000 ] - [ -0.0009155200000000, 0.0001741900000000, 0.0007275900000000 ] - [ 0.0003294900000000, -0.0003801600000000, -0.0005881500000000 ] - [ -0.0005101500000000, 0.0000583100000000, -0.0004689600000000 ] - [ -0.0005597300000000, -0.0002971800000000, 0.0003128800000000 ] - [ 0.0005415400000000, 0.0000417200000000, 0.0005186400000000 ] - [ 0.0000000000000000, -0.0000652400000000, 0.0000374700000000 ] - [ 0.0000000000000000, -0.0023832200000000, 0.0023372100000000 ] - [ -0.0006960000000000, 0.0001020400000000, 0.0006577900000000 ] - [ 0.0004322400000000, 0.0001173000000000, 0.0004233200000000 ] - [ 0.0004891200000000, 0.0000480800000000, -0.0004870300000000 ] - [ -0.0102377700000000, -0.0125956600000000, -0.0011431100000000 ] - [ 0.0000000000000000, 0.0004674400000000, -0.0005801400000000 ] - [ 0.0000000000000000, -0.0002343100000000, -0.0004262400000000 ] - [ 0.0000000000000000, -0.0005417500000000, 0.0009203300000000 ] - [ 0.0000000000000000, 0.0002331800000000, 0.0004661000000000 ] - [ 0.0098397000000000, -0.0041957100000000, 0.0035351200000000 ] - [ -0.0009191500000000, -0.0002154000000000, -0.0007827100000000 ] - [ -0.0001687600000000, -0.0008299400000000, 0.0009668200000000 ] - [ 0.0008189500000000, 0.0002236900000000, 0.0008311900000000 ] - [ -0.0098397000000000, -0.0041957100000000, 0.0035351200000000 ] - [ 0.0009191500000000, -0.0002154000000000, -0.0007827100000000 ] - [ 0.0001687600000000, -0.0008299400000000, 0.0009668200000000 ] - [ -0.0008189500000000, 0.0002236900000000, 0.0008311900000000 ] - [ 0.0102377700000000, -0.0125956600000000, -0.0011431100000000 ] - [ -0.0004891200000000, 0.0000480800000000, -0.0004870300000000 ] - [ -0.0004322400000000, 0.0001173000000000, 0.0004233200000000 ] - [ 0.0006960000000000, 0.0001020400000000, 0.0006577900000000 ] - [ 0.0000000000000000, -0.0001261500000000, -0.0000493900000000 ] - [ 0.0000000000000000, 0.0001162100000000, 0.0001458100000000 ] - [ -0.0005415400000000, 0.0000417200000000, 0.0005186400000000 ] - [ 0.0005597300000000, -0.0002971800000000, 0.0003128800000000 ] - [ 0.0005101500000000, 0.0000583100000000, -0.0004689600000000 ] - [ -0.0003294900000000, -0.0003801600000000, -0.0005881500000000 ] - [ -0.0002462400000000, 0.0003747500000000, -0.0000165600000000 ] - [ 0.0003065900000000, -0.0002636400000000, 0.0000400200000000 ] - [ 0.0002462400000000, 0.0003747500000000, -0.0000165600000000 ] - [ -0.0003065900000000, -0.0002636400000000, 0.0000400200000000 ] - [ 0.0002533200000000, -0.0008714000000000, -0.0006816100000000 ] - [ 0.0002700600000000, -0.0004113900000000, 0.0000333400000000 ] - [ -0.0002533200000000, -0.0008714000000000, -0.0006816100000000 ] - [ -0.0002700600000000, -0.0004113900000000, 0.0000333400000000 ] - [ -0.0193421700000000, -0.0168072600000000, -0.0064970300000000 ] - [ -0.0003189500000000, -0.0004821800000000, -0.0005315900000000 ] - [ 0.0004592800000000, 0.0000650300000000, 0.0003341800000000 ] - [ 0.0004563900000000, 0.0002099200000000, 0.0004214900000000 ] - [ 0.0000596800000000, 0.0020086600000000, 0.0007950900000000 ] - [ 0.0003782000000000, -0.0005091900000000, -0.0005989100000000 ] - [ -0.0000905300000000, -0.0013585000000000, -0.0019578000000000 ] - [ -0.0004173500000000, 0.0005217700000000, 0.0006162700000000 ] - [ 0.0000000000000000, 0.0003763900000000, -0.0006954000000000 ] - [ 0.0000000000000000, -0.0001732600000000, -0.0004456800000000 ] - [ 0.0000000000000000, 0.0002293900000000, 0.0013462300000000 ] - [ 0.0000000000000000, 0.0000441200000000, 0.0001959000000000 ] - [ -0.0000596800000000, 0.0020086600000000, 0.0007950900000000 ] - [ -0.0003782000000000, -0.0005091900000000, -0.0005989100000000 ] - [ 0.0000905300000000, -0.0013585000000000, -0.0019578000000000 ] - [ 0.0004173500000000, 0.0005217700000000, 0.0006162700000000 ] - [ 0.0193421700000000, -0.0168072600000000, -0.0064970300000000 ] - [ 0.0003189500000000, -0.0004821800000000, -0.0005315900000000 ] - [ -0.0004592800000000, 0.0000650300000000, 0.0003341800000000 ] - [ -0.0004563900000000, 0.0002099200000000, 0.0004214900000000 ] - [ 0.0000000000000000, 0.0156235100000000, -0.0039534700000000 ] - [ 0.0000000000000000, -0.0001356200000000, -0.0004366900000000 ] - [ 0.0000000000000000, -0.0002832800000000, 0.0003534000000000 ] - [ 0.0000000000000000, 0.0008337800000000, -0.0005471200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0105898700000000, -0.0355374900000000 ] - [ 0.0000000000000000, -0.0002225100000000, -0.0002671700000000 ] - [ 0.0000000000000000, -0.0004285000000000, -0.0000396300000000 ] - [ 0.0000000000000000, 0.0002270500000000, 0.0012343500000000 ] - [ 0.0019445900000000, -0.0008798400000000, -0.0028685000000000 ] - [ -0.0008532700000000, -0.0002039600000000, 0.0001289800000000 ] - [ -0.0105909000000000, 0.0010148000000000, 0.0020486700000000 ] - [ 0.0010580400000000, 0.0003049300000000, 0.0013073800000000 ] - [ -0.0019445900000000, -0.0008798400000000, -0.0028685000000000 ] - [ 0.0008532700000000, -0.0002039600000000, 0.0001289800000000 ] - [ 0.0105909000000000, 0.0010148000000000, 0.0020486700000000 ] - [ -0.0010580400000000, 0.0003049300000000, 0.0013073800000000 ] - [ 0.0001945400000000, 0.0010679700000000, -0.0008823800000000 ] - [ -0.0002410800000000, 0.0004443200000000, -0.0001632800000000 ] - [ -0.0007322800000000, -0.0005504900000000, 0.0005514700000000 ] - [ 0.0003673000000000, -0.0000494500000000, 0.0005762600000000 ] - [ 0.0000000000000000, -0.0001204600000000, 0.0006634800000000 ] - [ 0.0000000000000000, -0.0022096500000000, 0.0013381200000000 ] - [ -0.0010020300000000, 0.0004610400000000, 0.0008475300000000 ] - [ 0.0011062900000000, -0.0002549500000000, 0.0006052900000000 ] - [ 0.0003001100000000, 0.0003453600000000, -0.0002603700000000 ] - [ -0.0005032100000000, 0.0019720800000000, -0.0036005000000000 ] - [ 0.0000000000000000, 0.0003641000000000, -0.0004650500000000 ] - [ 0.0000000000000000, -0.0002081900000000, -0.0001988100000000 ] - [ 0.0000000000000000, -0.0007093700000000, 0.0014539800000000 ] - [ 0.0000000000000000, 0.0002486600000000, 0.0005067400000000 ] - [ 0.0066292800000000, -0.0026802000000000, -0.0017885700000000 ] - [ -0.0009759800000000, -0.0002032100000000, -0.0001116100000000 ] - [ -0.0002943000000000, -0.0006782800000000, -0.0001210400000000 ] - [ 0.0007056800000000, 0.0003215100000000, 0.0015062100000000 ] - [ -0.0066292800000000, -0.0026802000000000, -0.0017885700000000 ] - [ 0.0009759800000000, -0.0002032100000000, -0.0001116100000000 ] - [ 0.0002943000000000, -0.0006782800000000, -0.0001210400000000 ] - [ -0.0007056800000000, 0.0003215100000000, 0.0015062100000000 ] - [ 0.0005032100000000, 0.0019720800000000, -0.0036005000000000 ] - [ -0.0003001100000000, 0.0003453600000000, -0.0002603700000000 ] - [ -0.0011062900000000, -0.0002549500000000, 0.0006052900000000 ] - [ 0.0010020300000000, 0.0004610400000000, 0.0008475300000000 ] - [ 0.0000000000000000, -0.0000401500000000, 0.0011623000000000 ] - [ 0.0000000000000000, 0.0000505700000000, -0.0003001200000000 ] - [ -0.0003673000000000, -0.0000494500000000, 0.0005762600000000 ] - [ 0.0007322800000000, -0.0005504900000000, 0.0005514700000000 ] - [ 0.0002410800000000, 0.0004443200000000, -0.0001632800000000 ] - [ -0.0001945400000000, 0.0010679700000000, -0.0008823800000000 ] - [ -0.0001395000000000, 0.0004023600000000, -0.0002438200000000 ] - [ 0.0001644200000000, -0.0003802600000000, 0.0005538300000000 ] - [ 0.0001395000000000, 0.0004023600000000, -0.0002438200000000 ] - [ -0.0001644200000000, -0.0003802600000000, 0.0005538300000000 ] - [ -0.0014745600000000, 0.0017886500000000, 0.0005928500000000 ] - [ 0.0003137000000000, -0.0003496200000000, 0.0005049300000000 ] - [ 0.0014745600000000, 0.0017886500000000, 0.0005928500000000 ] - [ -0.0003137000000000, -0.0003496200000000, 0.0005049300000000 ] - [ 0.0163670600000000, 0.0051633100000000, 0.0193247700000000 ] - [ -0.0002828200000000, -0.0006878800000000, -0.0013757100000000 ] - [ -0.0027296300000000, -0.0016857400000000, 0.0018520400000000 ] - [ 0.0015086000000000, 0.0002214300000000, -0.0010157900000000 ] - [ -0.0015422000000000, 0.0008347900000000, 0.0010002500000000 ] - [ 0.0003488600000000, -0.0008367800000000, -0.0015859500000000 ] - [ -0.0010918400000000, 0.0021140200000000, -0.0012574900000000 ] - [ 0.0001495700000000, 0.0003582000000000, -0.0002888500000000 ] - [ 0.0000000000000000, 0.0000751400000000, 0.0002462900000000 ] - [ 0.0000000000000000, -0.0002194600000000, -0.0018579200000000 ] - [ 0.0000000000000000, -0.0004901500000000, -0.0014139600000000 ] - [ 0.0000000000000000, 0.0001547500000000, 0.0004184300000000 ] - [ 0.0015422000000000, 0.0008347900000000, 0.0010002500000000 ] - [ -0.0003488600000000, -0.0008367800000000, -0.0015859500000000 ] - [ 0.0010918400000000, 0.0021140200000000, -0.0012574900000000 ] - [ -0.0001495700000000, 0.0003582000000000, -0.0002888500000000 ] - [ -0.0163670600000000, 0.0051633100000000, 0.0193247700000000 ] - [ 0.0002828200000000, -0.0006878800000000, -0.0013757100000000 ] - [ 0.0027296300000000, -0.0016857400000000, 0.0018520400000000 ] - [ -0.0015086000000000, 0.0002214300000000, -0.0010157900000000 ] - [ 0.0000000000000000, -0.0002885300000000, 0.0047416200000000 ] - [ 0.0000000000000000, -0.0002988800000000, -0.0013683300000000 ] - [ 0.0000000000000000, 0.0003190500000000, -0.0001951900000000 ] - [ 0.0000000000000000, -0.0003618200000000, -0.0017948700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0111719700000000, 0.0354156800000000 ] - [ 0.0000000000000000, -0.0002393000000000, -0.0006281200000000 ] - [ 0.0000000000000000, -0.0000321900000000, 0.0009335300000000 ] - [ 0.0000000000000000, 0.0002351700000000, -0.0003436100000000 ] - [ -0.0001270000000000, 0.0013650700000000, 0.0014124200000000 ] - [ -0.0009735600000000, -0.0002710200000000, -0.0015779300000000 ] - [ 0.0086592500000000, -0.0014732000000000, -0.0005255800000000 ] - [ 0.0007677000000000, 0.0001706600000000, 0.0001421900000000 ] - [ 0.0001270000000000, 0.0013650700000000, 0.0014124200000000 ] - [ 0.0009735600000000, -0.0002710200000000, -0.0015779300000000 ] - [ -0.0086592500000000, -0.0014732000000000, -0.0005255800000000 ] - [ -0.0007677000000000, 0.0001706600000000, 0.0001421900000000 ] - [ 0.0008230000000000, -0.0011381900000000, -0.0001179100000000 ] - [ -0.0007785700000000, -0.0003738200000000, -0.0008361700000000 ] - [ -0.0002859900000000, 0.0006224900000000, 0.0004437900000000 ] - [ 0.0006539700000000, -0.0000187000000000, 0.0004242600000000 ] - [ 0.0000000000000000, -0.0000617800000000, -0.0006639800000000 ] - [ 0.0000000000000000, 0.0024169500000000, -0.0013421600000000 ] - [ -0.0000176600000000, -0.0005303900000000, 0.0001526000000000 ] - [ -0.0000848300000000, 0.0003239200000000, 0.0003937000000000 ] - [ 0.0007199200000000, -0.0002751900000000, -0.0007388400000000 ] - [ -0.0005439500000000, -0.0020719800000000, 0.0025896300000000 ] - [ 0.0000000000000000, 0.0000996100000000, -0.0004325000000000 ] - [ 0.0000000000000000, -0.0002533000000000, -0.0006964500000000 ] - [ 0.0000000000000000, 0.0002394000000000, -0.0005422700000000 ] - [ 0.0000000000000000, 0.0002132500000000, 0.0003896300000000 ] - [ -0.0047830700000000, 0.0031380700000000, 0.0002974200000000 ] - [ -0.0008499100000000, -0.0002716300000000, -0.0013365600000000 ] - [ -0.0015327900000000, 0.0002057300000000, 0.0015629300000000 ] - [ 0.0011215300000000, 0.0001536400000000, -0.0000570800000000 ] - [ 0.0047830700000000, 0.0031380700000000, 0.0002974200000000 ] - [ 0.0008499100000000, -0.0002716300000000, -0.0013365600000000 ] - [ 0.0015327900000000, 0.0002057300000000, 0.0015629300000000 ] - [ -0.0011215300000000, 0.0001536400000000, -0.0000570800000000 ] - [ 0.0005439500000000, -0.0020719800000000, 0.0025896300000000 ] - [ -0.0007199200000000, -0.0002751900000000, -0.0007388400000000 ] - [ 0.0000848300000000, 0.0003239200000000, 0.0003937000000000 ] - [ 0.0000176600000000, -0.0005303900000000, 0.0001526000000000 ] - [ 0.0000000000000000, -0.0001420300000000, -0.0011619800000000 ] - [ 0.0000000000000000, 0.0001331100000000, 0.0003031900000000 ] - [ -0.0006539700000000, -0.0000187000000000, 0.0004242600000000 ] - [ 0.0002859900000000, 0.0006224900000000, 0.0004437900000000 ] - [ 0.0007785700000000, -0.0003738200000000, -0.0008361700000000 ] - [ -0.0008230000000000, -0.0011381900000000, -0.0001179100000000 ] - [ -0.0003548300000000, 0.0003616800000000, 0.0002486300000000 ] - [ 0.0003312800000000, -0.0003850300000000, -0.0005527400000000 ] - [ 0.0003548300000000, 0.0003616800000000, 0.0002486300000000 ] - [ -0.0003312800000000, -0.0003850300000000, -0.0005527400000000 ] - [ 0.0009896300000000, -0.0010359200000000, -0.0005989700000000 ] - [ 0.0001825400000000, -0.0004150900000000, -0.0005053900000000 ] - [ -0.0009896300000000, -0.0010359200000000, -0.0005989700000000 ] - [ -0.0001825400000000, -0.0004150900000000, -0.0005053900000000 ] - [ -0.0159048300000000, -0.0042459300000000, -0.0206826800000000 ] - [ -0.0004289500000000, -0.0003015300000000, 0.0004092500000000 ] - [ 0.0020024900000000, 0.0006829600000000, -0.0008801700000000 ] - [ -0.0008045800000000, 0.0007693300000000, 0.0019837600000000 ] - [ 0.0008380800000000, 0.0001531200000000, -0.0019620300000000 ] - [ 0.0003612400000000, -0.0001522100000000, 0.0006199200000000 ] - [ 0.0017833700000000, -0.0030776800000000, 0.0022354100000000 ] - [ -0.0008621800000000, 0.0006323300000000, 0.0012513600000000 ] - [ 0.0000000000000000, 0.0001226600000000, -0.0010006400000000 ] - [ 0.0000000000000000, 0.0000271800000000, 0.0011065100000000 ] - [ 0.0000000000000000, 0.0002878900000000, 0.0021589300000000 ] - [ 0.0000000000000000, 0.0000351800000000, 0.0003273200000000 ] - [ -0.0008380800000000, 0.0001531200000000, -0.0019620300000000 ] - [ -0.0003612400000000, -0.0001522100000000, 0.0006199200000000 ] - [ -0.0017833700000000, -0.0030776800000000, 0.0022354100000000 ] - [ 0.0008621800000000, 0.0006323300000000, 0.0012513600000000 ] - [ 0.0159048300000000, -0.0042459300000000, -0.0206826800000000 ] - [ 0.0004289500000000, -0.0003015300000000, 0.0004092500000000 ] - [ -0.0020024900000000, 0.0006829600000000, -0.0008801700000000 ] - [ 0.0008045800000000, 0.0007693300000000, 0.0019837600000000 ] - [ 0.0000000000000000, 0.0005065800000000, -0.0055203400000000 ] - [ 0.0000000000000000, 0.0001075800000000, 0.0006173200000000 ] - [ 0.0000000000000000, -0.0005078500000000, 0.0009475200000000 ] - [ 0.0000000000000000, 0.0005568700000000, 0.0025420000000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0092201500000000, 0.0006143700000000, 0.0005966300000000 ] - [ -0.0001258800000000, -0.0002496000000000, -0.0005057200000000 ] - [ 0.0007731800000000, -0.0019731200000000, -0.0091245300000000 ] - [ 0.0001814600000000, 0.0002305500000000, 0.0002983200000000 ] - [ -0.0470507400000000, 0.0013604000000000, -0.0129998700000000 ] - [ -0.0010366800000000, -0.0002327400000000, -0.0007808200000000 ] - [ 0.0069380100000000, -0.0103227500000000, 0.0084686000000000 ] - [ 0.0006303700000000, 0.0002158100000000, 0.0008558800000000 ] - [ 0.0019363600000000, 0.0009913000000000, 0.0003475900000000 ] - [ 0.0010930000000000, -0.0002738200000000, -0.0007196600000000 ] - [ 0.0018325200000000, -0.0000099000000000, 0.0015269600000000 ] - [ -0.0006832200000000, 0.0002465200000000, 0.0008635500000000 ] - [ 0.0024732300000000, 0.0012771900000000, -0.0014995200000000 ] - [ -0.0002300100000000, 0.0002563900000000, -0.0004017100000000 ] - [ 0.0003394400000000, 0.0003946000000000, 0.0003970600000000 ] - [ 0.0010269900000000, 0.0002807700000000, 0.0008447100000000 ] - [ -0.0000327200000000, 0.0000848100000000, -0.0008093900000000 ] - [ 0.0004572700000000, 0.0003528500000000, -0.0017649900000000 ] - [ 0.0001411000000000, -0.0006059700000000, 0.0002309900000000 ] - [ 0.0010539800000000, 0.0008876200000000, 0.0000333800000000 ] - [ 0.0005986800000000, 0.0000677500000000, -0.0005295800000000 ] - [ 0.0017963100000000, -0.0005030600000000, -0.0001814600000000 ] - [ 0.0071293300000000, -0.0085994900000000, 0.0052124300000000 ] - [ 0.0001460200000000, -0.0002270800000000, -0.0003820900000000 ] - [ 0.0014902900000000, -0.0009804700000000, 0.0010681400000000 ] - [ -0.0001802700000000, 0.0003272900000000, 0.0006514200000000 ] - [ 0.0022065900000000, -0.0003921900000000, -0.0006362700000000 ] - [ -0.0007829900000000, -0.0002116100000000, -0.0005009300000000 ] - [ 0.0000037000000000, -0.0004816100000000, -0.0005014700000000 ] - [ 0.0011935800000000, 0.0002776900000000, 0.0006938700000000 ] - [ -0.0022898500000000, -0.0037136500000000, 0.0015639300000000 ] - [ 0.0007185400000000, -0.0002086600000000, -0.0006086300000000 ] - [ -0.0077347700000000, -0.0041831300000000, -0.0017082100000000 ] - [ -0.0011407400000000, 0.0002524700000000, 0.0006958100000000 ] - [ 0.0093560900000000, 0.0055671700000000, -0.0050114000000000 ] - [ -0.0007478100000000, -0.0000830400000000, -0.0005290300000000 ] - [ -0.0018837400000000, 0.0024373600000000, -0.0038905100000000 ] - [ 0.0001601700000000, -0.0003594300000000, 0.0002953300000000 ] - [ 0.0001086700000000, 0.0000320300000000, 0.0007899700000000 ] - [ -0.0004089300000000, 0.0015127200000000, 0.0040464300000000 ] - [ -0.0012459800000000, 0.0004930200000000, 0.0009190900000000 ] - [ 0.0008678300000000, -0.0011301500000000, 0.0011310600000000 ] - [ 0.0003688000000000, 0.0001117000000000, -0.0004370900000000 ] - [ -0.0039000900000000, 0.0045705500000000, -0.0003711300000000 ] - [ -0.0013603000000000, 0.0000653500000000, 0.0003030100000000 ] - [ 0.0004481100000000, -0.0004825400000000, 0.0005041600000000 ] - [ 0.0016173500000000, -0.0002132300000000, 0.0013147900000000 ] - [ 0.0002209400000000, -0.0005529000000000, 0.0002216200000000 ] - [ 0.0006754900000000, 0.0006694800000000, -0.0004847100000000 ] - [ 0.0004721300000000, -0.0005983300000000, -0.0003724900000000 ] - [ 0.0004008300000000, -0.0004410200000000, -0.0013535800000000 ] - [ -0.0008975600000000, 0.0003958600000000, 0.0003166900000000 ] - [ -0.0057211100000000, -0.0001503700000000, -0.0023393400000000 ] - [ -0.0006857200000000, -0.0005903800000000, -0.0004813900000000 ] - [ -0.0074154400000000, -0.0012107800000000, 0.0006074400000000 ] - [ -0.0005263700000000, 0.0006517500000000, 0.0004791600000000 ] - [ -0.0069587300000000, 0.0006069300000000, 0.0013849200000000 ] - [ -0.0001138500000000, -0.0005321400000000, -0.0005154500000000 ] - [ -0.0022554100000000, -0.0002327900000000, 0.0006449800000000 ] - [ -0.0010189100000000, 0.0003279600000000, -0.0000063000000000 ] - [ 0.0011445500000000, -0.0054464500000000, -0.0030416600000000 ] - [ -0.0002716600000000, -0.0000948600000000, -0.0010039300000000 ] - [ -0.0019134000000000, -0.0009640500000000, -0.0010276500000000 ] - [ 0.0004296000000000, 0.0009352500000000, -0.0022414300000000 ] - [ 0.0175850500000000, 0.0092798600000000, -0.0061662400000000 ] - [ -0.0001134700000000, -0.0004579400000000, -0.0006544200000000 ] - [ 0.0030747700000000, 0.0049841800000000, -0.0024691800000000 ] - [ 0.0013492000000000, 0.0001526600000000, 0.0003279200000000 ] - [ -0.0063180100000000, 0.0078470900000000, 0.0009588400000000 ] - [ 0.0008382700000000, -0.0004845500000000, -0.0006239700000000 ] - [ 0.0271855600000000, 0.0017199500000000, 0.0217805700000000 ] - [ 0.0002689200000000, 0.0005434900000000, 0.0008384100000000 ] - [ -0.0041212300000000, -0.0024835100000000, 0.0013514400000000 ] - [ 0.0004952600000000, -0.0003187800000000, 0.0000698800000000 ] - [ -0.0006920500000000, -0.0013143500000000, 0.0020875500000000 ] - [ -0.0005900300000000, 0.0002877200000000, 0.0019532100000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0091183500000000, -0.0001464300000000, -0.0014740800000000 ] - [ 0.0001281100000000, -0.0002190600000000, -0.0003843700000000 ] - [ -0.0007961200000000, 0.0015372700000000, 0.0101241100000000 ] - [ -0.0001828000000000, 0.0002366000000000, 0.0005872800000000 ] - [ 0.0487410600000000, -0.0004192200000000, 0.0123817900000000 ] - [ -0.0007909100000000, -0.0002494000000000, -0.0006641000000000 ] - [ -0.0085940200000000, 0.0096457200000000, -0.0068638600000000 ] - [ 0.0011973100000000, 0.0002641200000000, 0.0005726200000000 ] - [ -0.0037820100000000, -0.0004988200000000, -0.0017799900000000 ] - [ 0.0007354000000000, -0.0002078800000000, -0.0007241900000000 ] - [ -0.0000020900000000, -0.0004716500000000, -0.0000710200000000 ] - [ -0.0011443000000000, 0.0002331000000000, 0.0005676300000000 ] - [ -0.0014499300000000, -0.0013569600000000, 0.0005108400000000 ] - [ -0.0007951300000000, -0.0001852400000000, -0.0006023500000000 ] - [ -0.0013643500000000, -0.0003245500000000, 0.0006090600000000 ] - [ -0.0000060600000000, -0.0003592800000000, 0.0001543900000000 ] - [ 0.0000370400000000, -0.0002698900000000, 0.0007958300000000 ] - [ -0.0004542300000000, -0.0001636400000000, 0.0017447900000000 ] - [ -0.0011619900000000, 0.0005280600000000, 0.0007687200000000 ] - [ -0.0000166300000000, -0.0008261300000000, 0.0009760400000000 ] - [ 0.0004304600000000, 0.0000003100000000, -0.0004774700000000 ] - [ -0.0028066900000000, 0.0004303700000000, -0.0008183700000000 ] - [ -0.0072227900000000, 0.0091781900000000, -0.0061993500000000 ] - [ -0.0001488200000000, -0.0002402300000000, -0.0005072700000000 ] - [ -0.0014952700000000, 0.0005065200000000, -0.0001712500000000 ] - [ 0.0001813600000000, 0.0001394300000000, 0.0002344800000000 ] - [ -0.0003754500000000, 0.0008691700000000, -0.0007888000000000 ] - [ -0.0010426700000000, -0.0002696900000000, -0.0009438200000000 ] - [ -0.0018251600000000, -0.0000050800000000, 0.0019552900000000 ] - [ 0.0006344100000000, 0.0002027600000000, 0.0007373600000000 ] - [ 0.0004293900000000, 0.0041423000000000, -0.0029830200000000 ] - [ 0.0011087300000000, -0.0002728000000000, -0.0008381700000000 ] - [ 0.0095342800000000, 0.0035195000000000, 0.0030603800000000 ] - [ -0.0006869700000000, 0.0002270000000000, 0.0007345200000000 ] - [ -0.0081416400000000, -0.0055704500000000, 0.0039045200000000 ] - [ -0.0002770900000000, 0.0001546100000000, -0.0004769500000000 ] - [ 0.0008906400000000, -0.0023563400000000, 0.0048934600000000 ] - [ 0.0008597900000000, 0.0002790500000000, 0.0007038300000000 ] - [ -0.0001099800000000, -0.0002152300000000, -0.0007843500000000 ] - [ 0.0004166600000000, -0.0013511000000000, -0.0040876000000000 ] - [ 0.0002276100000000, -0.0005727500000000, 0.0000796500000000 ] - [ 0.0001489400000000, 0.0011958000000000, -0.0001174500000000 ] - [ 0.0006534300000000, -0.0000362700000000, -0.0005676600000000 ] - [ 0.0029406800000000, -0.0047185100000000, -0.0006096800000000 ] - [ 0.0008679500000000, 0.0007034500000000, -0.0003196400000000 ] - [ 0.0000292300000000, -0.0002806900000000, -0.0005168800000000 ] - [ -0.0011244000000000, 0.0009833700000000, -0.0013187600000000 ] - [ -0.0007150500000000, -0.0002137000000000, -0.0002191900000000 ] - [ -0.0011648300000000, 0.0000983200000000, 0.0004770300000000 ] - [ 0.0000296500000000, -0.0001646000000000, 0.0003677200000000 ] - [ 0.0000806700000000, 0.0011980900000000, 0.0013543600000000 ] - [ 0.0004064900000000, -0.0011770200000000, -0.0003309400000000 ] - [ 0.0064066600000000, 0.0011437700000000, 0.0013593900000000 ] - [ -0.0000241400000000, -0.0003976100000000, -0.0004725700000000 ] - [ 0.0066904900000000, 0.0002168500000000, 0.0003266000000000 ] - [ 0.0012327600000000, 0.0003447100000000, 0.0004928300000000 ] - [ 0.0062349700000000, 0.0003850600000000, -0.0023566200000000 ] - [ 0.0008210900000000, -0.0004595700000000, -0.0004396700000000 ] - [ 0.0029598000000000, -0.0007555100000000, 0.0002971400000000 ] - [ 0.0003126400000000, 0.0006710200000000, 0.0009748400000000 ] - [ -0.0012104700000000, 0.0056697500000000, 0.0022606800000000 ] - [ 0.0002772900000000, -0.0000844300000000, 0.0002603700000000 ] - [ 0.0019208100000000, 0.0007722200000000, 0.0017591900000000 ] - [ -0.0004273400000000, -0.0007563800000000, 0.0030085600000000 ] - [ -0.0169466300000000, -0.0082793300000000, 0.0051371100000000 ] - [ -0.0005885000000000, -0.0005359800000000, -0.0002947800000000 ] - [ -0.0037163800000000, -0.0059160200000000, 0.0034117500000000 ] - [ -0.0006445800000000, 0.0008451600000000, 0.0006414100000000 ] - [ 0.0056696200000000, -0.0068587500000000, -0.0019899900000000 ] - [ -0.0001299300000000, -0.0005063400000000, -0.0003239300000000 ] - [ -0.0266249000000000, -0.0028950000000000, -0.0214345700000000 ] - [ -0.0009742300000000, 0.0004582600000000, 0.0001297600000000 ] - [ 0.0041245600000000, 0.0026478900000000, -0.0020920100000000 ] - [ -0.0005026900000000, 0.0001358000000000, -0.0007989900000000 ] - [ 0.0006322900000000, 0.0011307100000000, -0.0013204200000000 ] - [ 0.0005932600000000, -0.0001067500000000, -0.0011911800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0086142000000000, -0.0002906300000000, -0.0015655100000000 ] - [ -0.0000215500000000, -0.0002403000000000, -0.0004827200000000 ] - [ -0.0005647300000000, -0.0015458700000000, 0.0016791800000000 ] - [ 0.0001369400000000, 0.0002942000000000, 0.0003780200000000 ] - [ 0.0018097400000000, -0.0934762200000000, -0.0150062700000000 ] - [ -0.0009049300000000, -0.0002464400000000, -0.0009376900000000 ] - [ -0.0108684800000000, 0.0063109100000000, -0.0050496300000000 ] - [ 0.0008903000000000, 0.0002316100000000, 0.0005346400000000 ] - [ -0.0016482900000000, -0.0012151800000000, -0.0002345700000000 ] - [ 0.0009464800000000, -0.0002491300000000, -0.0008781300000000 ] - [ 0.0006871800000000, -0.0001660100000000, 0.0001941200000000 ] - [ -0.0009217500000000, 0.0002324800000000, 0.0005369500000000 ] - [ 0.0001110700000000, 0.0022526000000000, -0.0009260100000000 ] - [ -0.0005228800000000, 0.0000081300000000, -0.0005644400000000 ] - [ -0.0006706100000000, -0.0001757700000000, 0.0006274900000000 ] - [ 0.0004530400000000, -0.0001765900000000, 0.0004429900000000 ] - [ 0.0006193000000000, 0.0005048000000000, -0.0006386100000000 ] - [ 0.0000534900000000, 0.0000152200000000, 0.0000433400000000 ] - [ -0.0003632200000000, -0.0002391900000000, 0.0004428700000000 ] - [ 0.0010792000000000, -0.0003378100000000, 0.0004214600000000 ] - [ 0.0006525700000000, -0.0001254400000000, -0.0006861300000000 ] - [ -0.0004799600000000, -0.0008553700000000, -0.0003532400000000 ] - [ -0.0103081500000000, 0.0046598800000000, -0.0033760100000000 ] - [ 0.0000379200000000, -0.0002524300000000, -0.0004827600000000 ] - [ 0.0008407500000000, 0.0003606400000000, 0.0000047400000000 ] - [ -0.0000559100000000, 0.0002445200000000, 0.0003606900000000 ] - [ 0.0002810700000000, 0.0009657000000000, -0.0005932800000000 ] - [ -0.0008843900000000, -0.0002187200000000, -0.0008822200000000 ] - [ -0.0011468100000000, 0.0002318400000000, 0.0020372700000000 ] - [ 0.0009506200000000, 0.0002161700000000, 0.0005604700000000 ] - [ 0.0030210700000000, 0.0056045500000000, -0.0004762700000000 ] - [ 0.0008819900000000, -0.0002236000000000, -0.0009048000000000 ] - [ 0.0047821200000000, 0.0273969000000000, 0.0190096400000000 ] - [ -0.0009258100000000, 0.0002329900000000, 0.0005283500000000 ] - [ 0.0030883000000000, -0.0016133200000000, -0.0018211000000000 ] - [ -0.0005969000000000, -0.0000938100000000, -0.0005796200000000 ] - [ 0.0036128700000000, 0.0106756400000000, -0.0122740000000000 ] - [ 0.0005069500000000, -0.0000479800000000, 0.0005010000000000 ] - [ 0.0000674900000000, -0.0002835700000000, -0.0004328200000000 ] - [ -0.0003756100000000, 0.0013023700000000, 0.0011042500000000 ] - [ -0.0005699500000000, -0.0000821100000000, 0.0004793900000000 ] - [ 0.0003817000000000, -0.0001304600000000, 0.0006966600000000 ] - [ 0.0005765100000000, -0.0000336000000000, -0.0005759900000000 ] - [ -0.0101666100000000, 0.0261950000000000, 0.0010982700000000 ] - [ -0.0001032500000000, -0.0002177900000000, -0.0001751100000000 ] - [ 0.0005185500000000, -0.0002657100000000, 0.0002391800000000 ] - [ 0.0002073900000000, 0.0001485800000000, 0.0001630700000000 ] - [ -0.0003536900000000, -0.0002918900000000, -0.0001570600000000 ] - [ -0.0003581300000000, 0.0004725000000000, -0.0000040500000000 ] - [ 0.0003779500000000, -0.0003128900000000, -0.0001377700000000 ] - [ 0.0019452500000000, 0.0019368000000000, -0.0009063100000000 ] - [ -0.0001900000000000, -0.0005042900000000, -0.0003795500000000 ] - [ 0.0034803800000000, 0.0017363900000000, 0.0007526300000000 ] - [ -0.0003908700000000, -0.0003518400000000, -0.0002598300000000 ] - [ 0.0002155000000000, 0.0008035000000000, 0.0003817100000000 ] - [ 0.0002597100000000, 0.0005913600000000, 0.0006286000000000 ] - [ 0.0060906300000000, -0.0003525700000000, -0.0032504400000000 ] - [ 0.0002732800000000, -0.0004592300000000, -0.0002514400000000 ] - [ 0.0007432000000000, -0.0007747400000000, 0.0004316700000000 ] - [ -0.0002637200000000, 0.0005414600000000, 0.0006947400000000 ] - [ 0.0016191600000000, -0.0058448300000000, -0.0010672900000000 ] - [ -0.0000980600000000, -0.0002271900000000, -0.0000452100000000 ] - [ 0.0004170900000000, 0.0011954500000000, 0.0011600900000000 ] - [ 0.0001845500000000, 0.0004234300000000, 0.0003308200000000 ] - [ 0.0062455100000000, 0.0046048600000000, -0.0007892200000000 ] - [ -0.0003227400000000, -0.0003936700000000, -0.0002703500000000 ] - [ -0.0061762400000000, -0.0084063500000000, 0.0001390200000000 ] - [ 0.0003713800000000, 0.0005812900000000, 0.0008914200000000 ] - [ 0.0130572300000000, -0.0037947600000000, -0.0031071800000000 ] - [ 0.0004209500000000, -0.0004173800000000, -0.0002044900000000 ] - [ 0.0008230900000000, 0.0285451800000000, 0.0230816900000000 ] - [ -0.0003917900000000, 0.0002741300000000, 0.0008694100000000 ] - [ -0.0005722700000000, 0.0003124400000000, -0.0006916300000000 ] - [ 0.0000428800000000, -0.0001548400000000, 0.0001128300000000 ] - [ -0.0037207700000000, -0.0055492400000000, -0.0006072200000000 ] - [ -0.0002100400000000, 0.0005352200000000, 0.0004673100000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0086948000000000, 0.0007544700000000, 0.0006850600000000 ] - [ 0.0000236300000000, -0.0002276100000000, -0.0004099200000000 ] - [ 0.0007601800000000, 0.0010570100000000, -0.0008143000000000 ] - [ -0.0001359200000000, 0.0001737300000000, 0.0005070000000000 ] - [ 0.0000308900000000, 0.0919364700000000, 0.0142128100000000 ] - [ -0.0009215500000000, -0.0002361600000000, -0.0005142500000000 ] - [ 0.0090981200000000, -0.0067037200000000, 0.0065393600000000 ] - [ 0.0009385400000000, 0.0002484600000000, 0.0008866600000000 ] - [ -0.0001579200000000, 0.0016930200000000, -0.0011540800000000 ] - [ 0.0008803600000000, -0.0002323300000000, -0.0005697800000000 ] - [ 0.0011488900000000, -0.0003055200000000, 0.0012668500000000 ] - [ -0.0009082400000000, 0.0002472200000000, 0.0008886800000000 ] - [ 0.0008881600000000, -0.0023471300000000, -0.0000626200000000 ] - [ -0.0005062300000000, 0.0000592200000000, -0.0004419400000000 ] - [ -0.0003538000000000, 0.0002404600000000, 0.0003791800000000 ] - [ 0.0005598600000000, 0.0000886500000000, 0.0005522600000000 ] - [ -0.0006163000000000, -0.0006792200000000, 0.0006488300000000 ] - [ -0.0000522500000000, 0.0001703700000000, -0.0000435900000000 ] - [ -0.0006591200000000, 0.0001598500000000, 0.0005578900000000 ] - [ -0.0000504000000000, 0.0004390800000000, 0.0005783300000000 ] - [ 0.0003765700000000, 0.0001903500000000, -0.0003215800000000 ] - [ -0.0005437300000000, 0.0007787200000000, -0.0006456500000000 ] - [ 0.0101574300000000, -0.0041648900000000, 0.0024487900000000 ] - [ -0.0000418500000000, -0.0002141600000000, -0.0004087700000000 ] - [ -0.0008182500000000, -0.0008282200000000, 0.0008829600000000 ] - [ 0.0000549400000000, 0.0002224200000000, 0.0005228100000000 ] - [ 0.0015425400000000, -0.0004819800000000, -0.0008281200000000 ] - [ -0.0009424000000000, -0.0002627800000000, -0.0005684400000000 ] - [ -0.0006703100000000, -0.0007302900000000, -0.0005673100000000 ] - [ 0.0008756400000000, 0.0002639200000000, 0.0008665800000000 ] - [ -0.0048347000000000, -0.0051114800000000, -0.0009454500000000 ] - [ 0.0009460100000000, -0.0002584500000000, -0.0005486700000000 ] - [ -0.0029209000000000, -0.0271586700000000, -0.0170969300000000 ] - [ -0.0009003600000000, 0.0002460500000000, 0.0008958800000000 ] - [ -0.0020709600000000, 0.0015216600000000, 0.0008326100000000 ] - [ -0.0004274900000000, 0.0001635600000000, -0.0004277300000000 ] - [ -0.0046802100000000, -0.0106528700000000, 0.0134430400000000 ] - [ 0.0005163400000000, -0.0000306200000000, 0.0004985300000000 ] - [ -0.0000700800000000, 0.0000994200000000, 0.0004311300000000 ] - [ 0.0003760000000000, -0.0011287400000000, -0.0011470500000000 ] - [ -0.0004456300000000, -0.0000030300000000, 0.0005163700000000 ] - [ 0.0006197700000000, 0.0001924100000000, 0.0003095700000000 ] - [ 0.0004480200000000, 0.0001063100000000, -0.0004310200000000 ] - [ 0.0090813500000000, -0.0262685300000000, -0.0021373500000000 ] - [ -0.0003959700000000, 0.0009744600000000, 0.0001362400000000 ] - [ -0.0000531300000000, -0.0004880200000000, -0.0002630900000000 ] - [ 0.0002742700000000, 0.0006266700000000, -0.0001751900000000 ] - [ -0.0001411000000000, -0.0004729600000000, 0.0001544500000000 ] - [ -0.0001386900000000, 0.0002936500000000, 0.0000042500000000 ] - [ 0.0001173800000000, -0.0004599100000000, 0.0001376200000000 ] - [ -0.0014407900000000, -0.0011731300000000, 0.0008967100000000 ] - [ -0.0002957900000000, -0.0002975700000000, 0.0003555000000000 ] - [ -0.0027864700000000, -0.0007558800000000, -0.0017389400000000 ] - [ -0.0003186100000000, -0.0006336100000000, -0.0006865500000000 ] - [ -0.0010568900000000, -0.0018207500000000, 0.0005281600000000 ] - [ 0.0004497200000000, 0.0004067800000000, 0.0003475200000000 ] - [ -0.0067601400000000, 0.0013799000000000, 0.0022300500000000 ] - [ 0.0004366600000000, -0.0005312100000000, -0.0006968200000000 ] - [ -0.0000358100000000, -0.0002108400000000, 0.0005109400000000 ] - [ -0.0004355200000000, 0.0004611100000000, 0.0002812500000000 ] - [ -0.0015805600000000, 0.0060667700000000, 0.0003416300000000 ] - [ 0.0001055000000000, 0.0000526600000000, -0.0006865500000000 ] - [ -0.0003950600000000, -0.0013862500000000, -0.0004174100000000 ] - [ -0.0001728000000000, -0.0002338400000000, 0.0004549200000000 ] - [ -0.0054059400000000, -0.0020153400000000, -0.0008692600000000 ] - [ -0.0003811900000000, -0.0005997600000000, -0.0006684300000000 ] - [ 0.0053871300000000, 0.0073727700000000, 0.0008130700000000 ] - [ 0.0003285800000000, 0.0004188000000000, 0.0000915600000000 ] - [ -0.0138247200000000, 0.0047225600000000, 0.0020510500000000 ] - [ 0.0002858600000000, -0.0005709300000000, -0.0007320900000000 ] - [ -0.0001732100000000, -0.0296865200000000, -0.0225083200000000 ] - [ -0.0003211200000000, 0.0007264800000000, 0.0001095400000000 ] - [ 0.0005740700000000, -0.0001226100000000, -0.0000609400000000 ] - [ -0.0000566500000000, -0.0000180500000000, -0.0008407000000000 ] - [ 0.0037172900000000, 0.0052947200000000, 0.0013435700000000 ] - [ 0.0002042900000000, -0.0003465900000000, 0.0002896300000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0085496500000000, -0.0003094800000000, -0.0025997400000000 ] - [ -0.0002445800000000, -0.0001757400000000, 0.0004060300000000 ] - [ -0.0199906900000000, 0.0010161200000000, 0.0017553400000000 ] - [ -0.0001920800000000, 0.0002323700000000, 0.0010342400000000 ] - [ -0.0120181600000000, -0.0150919800000000, -0.2009926400000000 ] - [ -0.0008542800000000, -0.0000278400000000, 0.0016410600000000 ] - [ 0.0067794000000000, -0.0060336200000000, -0.0031928300000000 ] - [ 0.0007721200000000, 0.0004165700000000, 0.0035188800000000 ] - [ -0.0019665700000000, 0.0007030300000000, -0.0083113800000000 ] - [ 0.0009153100000000, -0.0000853600000000, 0.0013296700000000 ] - [ 0.0001075300000000, -0.0007815000000000, -0.0032540600000000 ] - [ -0.0007660200000000, 0.0004157000000000, 0.0030598200000000 ] - [ 0.0042983500000000, 0.0048569200000000, -0.0028609100000000 ] - [ 0.0001707300000000, 0.0012070400000000, 0.0002271400000000 ] - [ -0.0001421100000000, 0.0013270600000000, -0.0002132200000000 ] - [ 0.0018132600000000, 0.0015517100000000, 0.0016906800000000 ] - [ -0.0009477500000000, -0.0004522400000000, 0.0033409500000000 ] - [ -0.0003504500000000, -0.0000733900000000, 0.0010231800000000 ] - [ -0.0011314200000000, 0.0010817700000000, 0.0012946000000000 ] - [ -0.0023799800000000, 0.0010795200000000, -0.0005856500000000 ] - [ -0.0008617900000000, 0.0018980800000000, 0.0007086100000000 ] - [ -0.0016746400000000, 0.0011388800000000, -0.0013316000000000 ] - [ 0.0100365700000000, -0.0040172400000000, -0.0014719600000000 ] - [ 0.0003725300000000, -0.0002849300000000, 0.0001633300000000 ] - [ 0.0020341500000000, -0.0004623100000000, -0.0003924200000000 ] - [ 0.0001360800000000, 0.0003364300000000, 0.0012338100000000 ] - [ 0.0009881200000000, 0.0003565100000000, -0.0040392700000000 ] - [ -0.0011359500000000, -0.0000827000000000, 0.0017186700000000 ] - [ -0.0021458400000000, 0.0010660700000000, -0.0045569000000000 ] - [ 0.0009346400000000, 0.0003934000000000, 0.0027663400000000 ] - [ -0.0031835700000000, 0.0004759700000000, -0.0114435700000000 ] - [ 0.0010292900000000, -0.0000614500000000, 0.0019932400000000 ] - [ 0.0033006300000000, 0.0178858700000000, -0.0012632100000000 ] - [ -0.0009325400000000, 0.0004235300000000, 0.0032322600000000 ] - [ -0.0048662900000000, -0.0026387700000000, -0.0002927600000000 ] - [ 0.0002913400000000, 0.0013755700000000, 0.0006478700000000 ] - [ -0.0056173500000000, -0.0116892600000000, 0.0058197500000000 ] - [ 0.0008171100000000, 0.0006934400000000, 0.0012172000000000 ] - [ 0.0003391000000000, -0.0000841200000000, 0.0007296600000000 ] - [ 0.0000055200000000, 0.0015968000000000, 0.0054028800000000 ] - [ -0.0015505800000000, 0.0012610200000000, 0.0017144200000000 ] - [ 0.0030397900000000, 0.0012171400000000, -0.0007613200000000 ] - [ 0.0003131800000000, 0.0006802600000000, 0.0001770700000000 ] - [ 0.0084184600000000, -0.0124073400000000, -0.0025266500000000 ] - [ 0.0000047600000000, 0.0008357100000000, 0.0045096200000000 ] - [ 0.0032503500000000, -0.0010861800000000, 0.0027901200000000 ] - [ 0.0023578300000000, -0.0010628400000000, 0.0025390200000000 ] - [ -0.0002440300000000, -0.0005634100000000, 0.0004504500000000 ] - [ -0.0005379900000000, 0.0001703500000000, 0.0004947500000000 ] - [ -0.0010142500000000, -0.0006688700000000, 0.0014882600000000 ] - [ -0.0016577900000000, 0.0009606200000000, 0.0026606700000000 ] - [ -0.0010269700000000, 0.0027437300000000, 0.0039905300000000 ] - [ 0.0025906000000000, 0.0006482800000000, 0.0048127300000000 ] - [ 0.0004262900000000, -0.0016589900000000, -0.0036087900000000 ] - [ 0.0133556300000000, 0.0000029300000000, 0.0089113300000000 ] - [ 0.0002050900000000, -0.0004117800000000, -0.0022863500000000 ] - [ -0.0061306700000000, -0.0034263400000000, 0.0071418700000000 ] - [ 0.0003858700000000, -0.0013023000000000, -0.0031534900000000 ] - [ 0.0004044800000000, -0.0013381400000000, 0.0042391700000000 ] - [ -0.0009258900000000, -0.0004967400000000, -0.0027725700000000 ] - [ -0.0086280000000000, -0.0048632100000000, -0.0025047100000000 ] - [ -0.0011622400000000, -0.0013060300000000, -0.0028522600000000 ] - [ -0.0026909800000000, 0.0000066200000000, 0.0008790300000000 ] - [ -0.0008475000000000, -0.0002319200000000, -0.0053508300000000 ] - [ -0.0072420400000000, 0.0138974500000000, 0.0275560700000000 ] - [ -0.0009933000000000, -0.0008989200000000, -0.0042034400000000 ] - [ -0.0059622300000000, 0.0005610900000000, 0.0069991900000000 ] - [ 0.0006850700000000, -0.0004210200000000, -0.0035048100000000 ] - [ 0.0128952600000000, -0.0055201500000000, 0.0146196900000000 ] - [ -0.0000004000000000, -0.0014390900000000, -0.0045979800000000 ] - [ 0.0113881100000000, 0.0149843300000000, 0.1561125100000000 ] - [ 0.0001178400000000, -0.0000747400000000, -0.0031057600000000 ] - [ 0.0030736000000000, 0.0014331200000000, -0.0002872100000000 ] - [ 0.0015312800000000, -0.0011525100000000, -0.0056277800000000 ] - [ 0.0100127300000000, 0.0026021600000000, -0.0018046500000000 ] - [ 0.0009685800000000, -0.0008507500000000, -0.0022909900000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0085141300000000, 0.0007710600000000, 0.0016852500000000 ] - [ 0.0002428900000000, -0.0002854700000000, -0.0012966900000000 ] - [ 0.0197310200000000, -0.0014544900000000, -0.0008235500000000 ] - [ 0.0001918100000000, 0.0002289600000000, -0.0001351600000000 ] - [ 0.0133742000000000, 0.0141577600000000, 0.1898004500000000 ] - [ -0.0009702200000000, -0.0004463200000000, -0.0030798400000000 ] - [ -0.0085500800000000, 0.0055593800000000, 0.0045464800000000 ] - [ 0.0010544300000000, 0.0000595000000000, -0.0020575700000000 ] - [ 0.0001620200000000, -0.0002212300000000, 0.0068033900000000 ] - [ 0.0009094300000000, -0.0003887300000000, -0.0027697300000000 ] - [ 0.0017047600000000, 0.0002964300000000, 0.0046769500000000 ] - [ -0.0010606200000000, 0.0000591500000000, -0.0015975100000000 ] - [ -0.0032831500000000, -0.0049512500000000, 0.0018654700000000 ] - [ -0.0011903800000000, -0.0011359800000000, -0.0012235500000000 ] - [ -0.0008880700000000, -0.0012525700000000, 0.0012108800000000 ] - [ -0.0007919100000000, -0.0016167100000000, -0.0006874700000000 ] - [ 0.0009414000000000, 0.0002619100000000, -0.0033150300000000 ] - [ 0.0003452100000000, 0.0002546500000000, -0.0010080700000000 ] - [ 0.0001055400000000, -0.0011433200000000, -0.0002895000000000 ] - [ 0.0033801700000000, -0.0010091000000000, 0.0015751000000000 ] - [ 0.0018729500000000, -0.0018202700000000, -0.0017014300000000 ] - [ 0.0006466800000000, -0.0012004300000000, 0.0003273100000000 ] - [ -0.0099708200000000, 0.0044630500000000, 0.0006182300000000 ] - [ -0.0003726800000000, -0.0001763700000000, -0.0010576400000000 ] - [ -0.0020465800000000, 0.0000070500000000, 0.0012872400000000 ] - [ -0.0001358600000000, 0.0001254900000000, -0.0003339300000000 ] - [ 0.0008349500000000, 0.0001168000000000, 0.0025719800000000 ] - [ -0.0006921600000000, -0.0003915600000000, -0.0031572900000000 ] - [ 0.0003118800000000, -0.0015332400000000, 0.0059677600000000 ] - [ 0.0008901100000000, 0.0000822400000000, -0.0013071400000000 ] - [ 0.0013643100000000, 0.0000014600000000, 0.0099645100000000 ] - [ 0.0007987200000000, -0.0004125500000000, -0.0034322200000000 ] - [ -0.0014693600000000, -0.0182097300000000, 0.0025441700000000 ] - [ -0.0008928700000000, 0.0000511200000000, -0.0017719300000000 ] - [ 0.0058578700000000, 0.0025504000000000, -0.0006773200000000 ] - [ -0.0013038900000000, -0.0012983800000000, -0.0016398100000000 ] - [ 0.0045164400000000, 0.0115411200000000, -0.0046369700000000 ] - [ 0.0002057600000000, -0.0007580200000000, -0.0002140900000000 ] - [ -0.0003391700000000, -0.0000999600000000, -0.0007317700000000 ] - [ 0.0000035500000000, -0.0014262900000000, -0.0054020300000000 ] - [ 0.0005287600000000, -0.0013261700000000, -0.0007102900000000 ] - [ -0.0020247800000000, -0.0011420200000000, 0.0017462000000000 ] - [ 0.0007061300000000, -0.0006085700000000, -0.0011747100000000 ] - [ -0.0094019700000000, 0.0123359700000000, 0.0015314300000000 ] - [ -0.0005042900000000, -0.0000797500000000, -0.0046106400000000 ] - [ -0.0027461500000000, 0.0003192500000000, -0.0027873900000000 ] - [ -0.0018581800000000, 0.0018301500000000, -0.0025360600000000 ] - [ -0.0002571200000000, -0.0002019100000000, -0.0004481700000000 ] - [ 0.0000386400000000, 0.0005931700000000, -0.0004911400000000 ] - [ 0.0014972700000000, -0.0000999300000000, -0.0014728000000000 ] - [ 0.0021343400000000, -0.0001962600000000, -0.0026393900000000 ] - [ 0.0005342000000000, -0.0035000100000000, -0.0039718100000000 ] - [ -0.0018559500000000, 0.0003425100000000, -0.0057462000000000 ] - [ -0.0011292100000000, 0.0006656300000000, 0.0026251900000000 ] - [ -0.0139711700000000, -0.0009726200000000, -0.0078307700000000 ] - [ 0.0005089300000000, 0.0013968500000000, 0.0032390800000000 ] - [ 0.0053332700000000, 0.0044327200000000, -0.0080558800000000 ] - [ 0.0003305500000000, 0.0003090300000000, 0.0021744400000000 ] - [ 0.0003254400000000, 0.0003469100000000, -0.0032635500000000 ] - [ 0.0002144600000000, 0.0014821100000000, 0.0037221500000000 ] - [ 0.0085381900000000, 0.0050904900000000, 0.0016745200000000 ] - [ 0.0011600400000000, 0.0011109400000000, 0.0020963100000000 ] - [ 0.0026981200000000, -0.0001917200000000, -0.0001208200000000 ] - [ 0.0008534600000000, 0.0004275900000000, 0.0060808300000000 ] - [ 0.0079999600000000, -0.0123284600000000, -0.0286629400000000 ] - [ 0.0002768300000000, -0.0000937700000000, 0.0032231700000000 ] - [ 0.0052283400000000, -0.0015659000000000, -0.0060094900000000 ] - [ 0.0000240200000000, 0.0014024200000000, 0.0044523300000000 ] - [ -0.0134161100000000, 0.0063982200000000, -0.0156528900000000 ] - [ 0.0007045000000000, 0.0004438100000000, 0.0036103400000000 ] - [ -0.0101719100000000, -0.0150311800000000, -0.1450923700000000 ] - [ -0.0008348800000000, 0.0010663700000000, 0.0040549100000000 ] - [ -0.0030325900000000, -0.0012244400000000, -0.0004603800000000 ] - [ -0.0015261900000000, 0.0009583400000000, 0.0048435600000000 ] - [ -0.0099444000000000, -0.0027810700000000, 0.0025455400000000 ] - [ -0.0009629800000000, 0.0010357400000000, 0.0030197500000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0113426700000000, 0.0004020700000000, -0.0007675200000000 ] - [ -0.0002995000000000, -0.0002263900000000, -0.0007225700000000 ] - [ -0.0037217400000000, -0.0001755300000000, 0.0002287900000000 ] - [ 0.0007423100000000, 0.0001942800000000, 0.0005962600000000 ] - [ 0.0028628900000000, -0.0001568400000000, 0.0030673300000000 ] - [ -0.0006298900000000, -0.0002432400000000, -0.0014140000000000 ] - [ -0.0000618000000000, -0.0003919200000000, 0.0011118800000000 ] - [ 0.0014285300000000, 0.0001811400000000, -0.0005712500000000 ] - [ -0.0043359000000000, 0.0098654800000000, -0.0096574100000000 ] - [ 0.0007707100000000, -0.0002992500000000, -0.0009296800000000 ] - [ 0.0012767200000000, -0.0001177600000000, -0.0017896800000000 ] - [ -0.0016489400000000, 0.0002966100000000, -0.0003080300000000 ] - [ -0.1282967600000000, -0.0707729900000000, 0.0500019200000000 ] - [ -0.0007167600000000, -0.0001976200000000, -0.0007140600000000 ] - [ 0.0006823100000000, 0.0016963200000000, -0.0005375600000000 ] - [ -0.0017346200000000, -0.0018292100000000, -0.0007041100000000 ] - [ -0.0002777700000000, -0.0000720100000000, -0.0009714800000000 ] - [ 0.0007442200000000, 0.0003005100000000, 0.0020753900000000 ] - [ -0.0009650800000000, 0.0002489500000000, 0.0006426600000000 ] - [ -0.0028931600000000, 0.0031446900000000, -0.0010495200000000 ] - [ 0.0005497300000000, -0.0002518100000000, -0.0008511100000000 ] - [ 0.0060680300000000, -0.0055580000000000, 0.0001860700000000 ] - [ -0.0064699400000000, -0.0095901400000000, -0.0004724600000000 ] - [ 0.0002966900000000, -0.0002471000000000, -0.0006634800000000 ] - [ 0.0034141400000000, -0.0003008600000000, -0.0001376900000000 ] - [ -0.0007355100000000, 0.0000369200000000, -0.0000388800000000 ] - [ 0.0095638400000000, 0.0027804600000000, -0.0060516900000000 ] - [ -0.0011477400000000, -0.0003201100000000, -0.0015305000000000 ] - [ -0.0022833000000000, 0.0039225400000000, -0.0043578800000000 ] - [ 0.0005630600000000, 0.0002301900000000, 0.0004249000000000 ] - [ 0.0013979300000000, 0.0001983800000000, 0.0004392200000000 ] - [ 0.0009962000000000, -0.0003731300000000, -0.0021018700000000 ] - [ 0.0014443100000000, -0.0008041700000000, 0.0036163300000000 ] - [ -0.0002609300000000, 0.0000866600000000, 0.0001123100000000 ] - [ 0.0038479800000000, 0.0016032900000000, -0.0006068800000000 ] - [ -0.0008491700000000, -0.0005234500000000, -0.0009858900000000 ] - [ -0.0013291600000000, -0.0009444600000000, 0.0016117700000000 ] - [ 0.0019735500000000, 0.0012143500000000, 0.0006834200000000 ] - [ 0.0001943200000000, -0.0000954700000000, -0.0011212100000000 ] - [ 0.0000446300000000, 0.0026153100000000, -0.0140483300000000 ] - [ 0.0008986900000000, -0.0007889200000000, -0.0010740500000000 ] - [ 0.0013940400000000, -0.0004682700000000, 0.0006922600000000 ] - [ 0.0009947300000000, -0.0004810600000000, -0.0008333600000000 ] - [ 0.0189662600000000, -0.0046339600000000, 0.0007940200000000 ] - [ 0.0047127900000000, 0.0031940400000000, -0.0054124100000000 ] - [ 0.0007343400000000, -0.0002362300000000, -0.0004357400000000 ] - [ -0.0041721900000000, 0.0031921600000000, 0.0003402200000000 ] - [ 0.0000270700000000, -0.0005465000000000, -0.0008983700000000 ] - [ 0.0016192500000000, 0.0015411400000000, 0.0024021100000000 ] - [ -0.0002714000000000, -0.0006350800000000, -0.0007956300000000 ] - [ 0.0018715600000000, -0.0002368700000000, 0.0006606100000000 ] - [ -0.0005132200000000, -0.0001306200000000, -0.0004645600000000 ] - [ -0.0084748300000000, 0.0053828900000000, 0.0013425400000000 ] - [ 0.0001263700000000, -0.0002106200000000, 0.0008467100000000 ] - [ 0.0022678400000000, -0.0019967500000000, 0.0070496800000000 ] - [ 0.0012242200000000, 0.0006692500000000, 0.0001402800000000 ] - [ 0.0262539000000000, -0.0012214100000000, 0.0051754900000000 ] - [ 0.0005301200000000, -0.0004255300000000, 0.0003813100000000 ] - [ -0.0014373600000000, -0.0011988900000000, 0.0072615900000000 ] - [ 0.0018121700000000, 0.0017632900000000, 0.0011538800000000 ] - [ 0.0848969400000000, 0.0533212300000000, -0.0331413500000000 ] - [ -0.0005146900000000, 0.0000680600000000, 0.0009364900000000 ] - [ -0.0025234700000000, -0.0003169800000000, 0.0020047300000000 ] - [ 0.0036624700000000, -0.0029967200000000, 0.0081212500000000 ] - [ -0.0046239200000000, 0.0115688300000000, -0.0043542400000000 ] - [ -0.0009390600000000, -0.0002391300000000, 0.0005581400000000 ] - [ -0.0035729000000000, -0.0007422000000000, -0.0012689400000000 ] - [ -0.0007543100000000, 0.0012017200000000, 0.0027901200000000 ] - [ -0.0105037400000000, -0.0005898300000000, -0.0009167400000000 ] - [ 0.0002808500000000, 0.0000289800000000, 0.0009515900000000 ] - [ 0.0021171500000000, 0.0001330100000000, -0.0028048400000000 ] - [ -0.0026474000000000, 0.0004904100000000, 0.0016176500000000 ] - [ -0.0074791900000000, 0.0007496000000000, -0.0036873700000000 ] - [ 0.0005071900000000, 0.0001986700000000, 0.0011614400000000 ] - [ 0.0040089000000000, 0.0000186800000000, -0.0000749500000000 ] - [ -0.0020263000000000, -0.0009530900000000, -0.0019130600000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0113858300000000, 0.0000460100000000, -0.0001357900000000 ] - [ 0.0002985800000000, -0.0002294300000000, -0.0001815400000000 ] - [ 0.0036998200000000, -0.0002811100000000, 0.0006716900000000 ] - [ -0.0007406300000000, 0.0002609700000000, 0.0003060400000000 ] - [ -0.0010598200000000, 0.0006201000000000, -0.0045107000000000 ] - [ -0.0011954200000000, -0.0002266600000000, -0.0000489700000000 ] - [ -0.0017659800000000, -0.0000750800000000, 0.0003622500000000 ] - [ 0.0003956800000000, 0.0002879200000000, 0.0020297200000000 ] - [ 0.0025039600000000, -0.0093806600000000, 0.0081669800000000 ] - [ 0.0010556400000000, -0.0001706900000000, -0.0005329600000000 ] - [ 0.0005583700000000, -0.0003557000000000, 0.0032720800000000 ] - [ -0.0001755400000000, 0.0001722200000000, 0.0017673400000000 ] - [ 0.1258425400000000, 0.0673358300000000, -0.0487930800000000 ] - [ -0.0002989800000000, 0.0002610100000000, -0.0002820800000000 ] - [ -0.0016865000000000, -0.0016330400000000, 0.0015340700000000 ] - [ 0.0027405900000000, 0.0017625600000000, 0.0016892100000000 ] - [ 0.0002752800000000, -0.0001112300000000, 0.0009617200000000 ] - [ -0.0007424600000000, -0.0001214100000000, -0.0020808300000000 ] - [ -0.0000467700000000, -0.0003175000000000, 0.0003523100000000 ] - [ 0.0038998400000000, -0.0030779200000000, 0.0020047100000000 ] - [ 0.0004684200000000, 0.0003141400000000, -0.0001471900000000 ] - [ -0.0070633900000000, 0.0055778500000000, -0.0011769400000000 ] - [ 0.0063803900000000, 0.0100579300000000, -0.0004281400000000 ] - [ -0.0002956100000000, -0.0002084000000000, -0.0002402000000000 ] - [ -0.0034052600000000, -0.0001517600000000, 0.0010500700000000 ] - [ 0.0007338500000000, 0.0004160800000000, 0.0009417700000000 ] - [ -0.0079335900000000, -0.0023796000000000, 0.0046770800000000 ] - [ -0.0006771900000000, -0.0001507100000000, 0.0000682700000000 ] - [ 0.0004910500000000, -0.0043695600000000, 0.0057704800000000 ] - [ 0.0012628700000000, 0.0002394900000000, 0.0010322700000000 ] - [ -0.0032053100000000, 0.0002621800000000, -0.0018784400000000 ] - [ 0.0008282200000000, -0.0000971800000000, 0.0006367400000000 ] - [ 0.0003743000000000, 0.0003253400000000, -0.0021472600000000 ] - [ -0.0015642600000000, 0.0003825200000000, 0.0013449500000000 ] - [ -0.0028228000000000, -0.0016535100000000, -0.0003889100000000 ] - [ -0.0001696900000000, 0.0005838200000000, -0.0000116400000000 ] - [ 0.0003005400000000, 0.0009986600000000, -0.0006059600000000 ] - [ -0.0009606600000000, -0.0012833200000000, 0.0003100500000000 ] - [ -0.0001930100000000, -0.0000869300000000, 0.0011218900000000 ] - [ -0.0000676400000000, -0.0024190800000000, 0.0139107800000000 ] - [ -0.0019082100000000, 0.0007253000000000, 0.0020627600000000 ] - [ -0.0003745700000000, 0.0005258200000000, 0.0003064800000000 ] - [ 0.0000221800000000, 0.0005434900000000, -0.0001639500000000 ] - [ -0.0195362300000000, 0.0045198400000000, -0.0017850300000000 ] - [ -0.0051938700000000, -0.0024081000000000, 0.0053941100000000 ] - [ -0.0002364200000000, -0.0005276800000000, 0.0004364900000000 ] - [ 0.0046642000000000, -0.0024270600000000, -0.0003226300000000 ] - [ -0.0005198900000000, -0.0002192400000000, 0.0008963100000000 ] - [ -0.0021310100000000, -0.0007881700000000, -0.0024248700000000 ] - [ 0.0007686200000000, -0.0001307100000000, 0.0007917500000000 ] - [ -0.0013741000000000, 0.0010000400000000, -0.0006652600000000 ] - [ 0.0000112600000000, -0.0006322400000000, 0.0004614000000000 ] - [ 0.0091148900000000, -0.0044119000000000, -0.0023480600000000 ] - [ -0.0008423200000000, -0.0007747800000000, -0.0018109300000000 ] - [ -0.0029846500000000, 0.0009985400000000, -0.0060329600000000 ] - [ -0.0005124600000000, 0.0003169100000000, 0.0008302800000000 ] - [ -0.0271146300000000, 0.0019491100000000, -0.0060704100000000 ] - [ 0.0001832400000000, -0.0005598100000000, -0.0013451600000000 ] - [ 0.0021072700000000, 0.0002242100000000, -0.0062994700000000 ] - [ -0.0025248400000000, -0.0007662200000000, -0.0001854300000000 ] - [ -0.0813904000000000, -0.0495770200000000, 0.0302232400000000 ] - [ 0.0005123000000000, -0.0002636700000000, -0.0016875100000000 ] - [ 0.0025136100000000, 0.0001175800000000, -0.0012550600000000 ] - [ -0.0036613000000000, 0.0031499800000000, -0.0073402400000000 ] - [ 0.0054493600000000, -0.0104182100000000, 0.0033729600000000 ] - [ 0.0002248400000000, -0.0007456700000000, -0.0015225400000000 ] - [ 0.0028570100000000, -0.0002397900000000, 0.0022133600000000 ] - [ 0.0014711700000000, -0.0002114300000000, -0.0018135900000000 ] - [ 0.0097426900000000, 0.0015297200000000, -0.0000699600000000 ] - [ 0.0004365900000000, -0.0010130100000000, -0.0019164100000000 ] - [ -0.0013779400000000, -0.0011190400000000, 0.0037615600000000 ] - [ 0.0019321400000000, 0.0004971900000000, -0.0006424200000000 ] - [ 0.0074594800000000, -0.0005331400000000, 0.0029387200000000 ] - [ -0.0005051200000000, -0.0003954400000000, -0.0019043800000000 ] - [ -0.0039633400000000, -0.0002185600000000, 0.0008475300000000 ] - [ 0.0020268300000000, 0.0011590300000000, 0.0026774900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006086900000000, 0.0005829700000000, 0.0006481800000000 ] - [ -0.0003021000000000, -0.0002545100000000, -0.0008560900000000 ] - [ -0.0041471300000000, 0.0000974700000000, -0.0001353600000000 ] - [ 0.0007855700000000, 0.0001546500000000, 0.0004647500000000 ] - [ 0.0022291000000000, 0.0025192600000000, 0.0041697500000000 ] - [ -0.0006924700000000, -0.0002593900000000, -0.0018949300000000 ] - [ -0.0005527700000000, -0.0004418900000000, 0.0020100100000000 ] - [ 0.0012305300000000, 0.0001020600000000, -0.0008499000000000 ] - [ -0.0055569300000000, 0.0264378900000000, -0.0130406500000000 ] - [ 0.0008391300000000, -0.0003038000000000, -0.0013684700000000 ] - [ 0.0020751200000000, -0.0003908700000000, 0.0018938200000000 ] - [ -0.0014425300000000, 0.0001945300000000, -0.0005605700000000 ] - [ -0.0691583500000000, -0.1519519100000000, 0.0340896300000000 ] - [ -0.0007365500000000, -0.0003035600000000, -0.0008321800000000 ] - [ 0.0011490900000000, 0.0014065000000000, -0.0004045000000000 ] - [ -0.0012815800000000, -0.0016682600000000, -0.0005731400000000 ] - [ -0.0001641000000000, -0.0002650200000000, -0.0018046000000000 ] - [ 0.0005823800000000, 0.0002658500000000, 0.0016284600000000 ] - [ -0.0007916300000000, 0.0000592900000000, 0.0004386000000000 ] - [ -0.0025925000000000, 0.0043768100000000, 0.0005653900000000 ] - [ 0.0007902600000000, -0.0005261400000000, -0.0010373100000000 ] - [ 0.0050479400000000, 0.0047152500000000, 0.0003017700000000 ] - [ -0.0200920900000000, 0.0127769800000000, 0.0015490600000000 ] - [ 0.0002982800000000, -0.0002440200000000, -0.0007577100000000 ] - [ 0.0028081100000000, -0.0003111800000000, 0.0001624300000000 ] - [ -0.0006362900000000, 0.0000932500000000, -0.0000466300000000 ] - [ 0.0064367000000000, -0.0013047700000000, -0.0032947700000000 ] - [ -0.0010308000000000, -0.0003629300000000, -0.0020603200000000 ] - [ 0.0014553700000000, 0.0103401700000000, -0.0107338600000000 ] - [ 0.0005936800000000, 0.0002266500000000, 0.0000042300000000 ] - [ -0.0004465200000000, -0.0005748600000000, 0.0004359300000000 ] - [ 0.0008788500000000, -0.0003914500000000, -0.0025820100000000 ] - [ 0.0000584600000000, -0.0006242500000000, 0.0017773500000000 ] - [ -0.0003466900000000, 0.0000357800000000, -0.0003808700000000 ] - [ 0.0021348100000000, 0.0009168100000000, -0.0002516700000000 ] - [ -0.0010593400000000, -0.0007685400000000, -0.0011494600000000 ] - [ -0.0014791100000000, -0.0011026100000000, 0.0012911600000000 ] - [ 0.0017555700000000, 0.0008159300000000, 0.0003539700000000 ] - [ 0.0001847500000000, -0.0000248000000000, -0.0012234500000000 ] - [ -0.0017533400000000, -0.0043695100000000, -0.0068099900000000 ] - [ 0.0002421600000000, -0.0004945900000000, -0.0005303500000000 ] - [ 0.0010033200000000, -0.0002071300000000, 0.0005959700000000 ] - [ 0.0010182700000000, -0.0006010200000000, -0.0009678900000000 ] - [ 0.0039857600000000, -0.0175327300000000, 0.0043031800000000 ] - [ 0.0073694600000000, 0.0054865500000000, -0.0089866100000000 ] - [ 0.0005810200000000, -0.0002870400000000, -0.0005685900000000 ] - [ -0.0032257700000000, 0.0057693300000000, -0.0004338000000000 ] - [ 0.0002018700000000, -0.0004989700000000, -0.0010473700000000 ] - [ 0.0009432000000000, 0.0002736400000000, 0.0018406700000000 ] - [ -0.0000726000000000, -0.0006309600000000, -0.0012390200000000 ] - [ 0.0010615300000000, 0.0000473400000000, 0.0005972300000000 ] - [ -0.0007518600000000, -0.0000317800000000, -0.0010023700000000 ] - [ 0.0017952200000000, -0.0005457100000000, -0.0063947400000000 ] - [ -0.0000684600000000, 0.0000007000000000, 0.0013446000000000 ] - [ 0.0013633500000000, -0.0066809600000000, 0.0080412400000000 ] - [ 0.0009593400000000, 0.0009225100000000, 0.0009413200000000 ] - [ 0.0135773600000000, 0.0348067500000000, 0.0123759300000000 ] - [ 0.0003534600000000, -0.0003067900000000, 0.0009238500000000 ] - [ -0.0031226500000000, 0.0013599100000000, 0.0044100000000000 ] - [ 0.0012275900000000, 0.0013501400000000, 0.0019251600000000 ] - [ 0.0491806700000000, 0.0674971200000000, -0.0273089500000000 ] - [ -0.0005106100000000, 0.0001691200000000, 0.0013001200000000 ] - [ -0.0020403200000000, -0.0008623300000000, 0.0017967400000000 ] - [ 0.0032369300000000, -0.0009970000000000, 0.0073694900000000 ] - [ 0.0120386600000000, 0.0089390600000000, -0.0008430000000000 ] - [ -0.0007550100000000, -0.0001038500000000, 0.0011202600000000 ] - [ -0.0018991800000000, -0.0001232900000000, -0.0007711000000000 ] - [ -0.0001894500000000, 0.0003780600000000, 0.0034161900000000 ] - [ -0.0036863400000000, 0.0001422500000000, -0.0031835100000000 ] - [ 0.0004725700000000, 0.0002179900000000, 0.0014389600000000 ] - [ 0.0034631900000000, -0.0006227500000000, -0.0024736300000000 ] - [ -0.0025210900000000, 0.0011139200000000, 0.0024560200000000 ] - [ -0.0047362600000000, 0.0016656400000000, -0.0033862100000000 ] - [ 0.0005036700000000, 0.0002299500000000, 0.0021449800000000 ] - [ 0.0040211400000000, 0.0013358200000000, 0.0025868300000000 ] - [ -0.0014823200000000, -0.0008527200000000, -0.0009276300000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006139800000000, -0.0001212000000000, -0.0015637300000000 ] - [ 0.0003047300000000, -0.0002011200000000, -0.0000438600000000 ] - [ 0.0041842200000000, -0.0005638300000000, 0.0010434100000000 ] - [ -0.0007892600000000, 0.0003012400000000, 0.0004398400000000 ] - [ -0.0004050000000000, -0.0020808400000000, -0.0056443200000000 ] - [ -0.0011340500000000, -0.0002094400000000, 0.0004426800000000 ] - [ -0.0012717100000000, -0.0000265600000000, -0.0005643500000000 ] - [ 0.0005904200000000, 0.0003671000000000, 0.0023243900000000 ] - [ 0.0037321500000000, -0.0260250000000000, 0.0116967100000000 ] - [ 0.0009869400000000, -0.0001647200000000, -0.0000853400000000 ] - [ -0.0002509700000000, -0.0000689600000000, -0.0004597500000000 ] - [ -0.0003767400000000, 0.0002731700000000, 0.0020325900000000 ] - [ 0.0689466400000000, 0.1551037500000000, -0.0344205100000000 ] - [ -0.0002780200000000, 0.0003702000000000, -0.0001604900000000 ] - [ -0.0021804300000000, -0.0013544400000000, 0.0014073100000000 ] - [ 0.0023103800000000, 0.0016207300000000, 0.0015744100000000 ] - [ 0.0001644100000000, 0.0000863800000000, 0.0018159100000000 ] - [ -0.0005828200000000, -0.0000825900000000, -0.0016331700000000 ] - [ -0.0002254000000000, -0.0001212000000000, 0.0005591100000000 ] - [ 0.0036303700000000, -0.0043776200000000, 0.0003970500000000 ] - [ 0.0002244000000000, 0.0005942400000000, 0.0000452400000000 ] - [ -0.0060870800000000, -0.0048150400000000, -0.0013016400000000 ] - [ 0.0204550000000000, -0.0125537000000000, -0.0025015000000000 ] - [ -0.0003007200000000, -0.0002114400000000, -0.0001429600000000 ] - [ -0.0028403500000000, -0.0001426800000000, 0.0007470000000000 ] - [ 0.0006414800000000, 0.0003628800000000, 0.0009506500000000 ] - [ -0.0046997700000000, 0.0018303500000000, 0.0018883800000000 ] - [ -0.0007930900000000, -0.0001066100000000, 0.0006080000000000 ] - [ -0.0033379100000000, -0.0109901800000000, 0.0125017400000000 ] - [ 0.0012320700000000, 0.0002437100000000, 0.0014619000000000 ] - [ -0.0013798600000000, 0.0010590800000000, -0.0019090000000000 ] - [ 0.0009462700000000, -0.0000765400000000, 0.0011311700000000 ] - [ 0.0017720700000000, 0.0001519500000000, -0.0003055000000000 ] - [ -0.0014807800000000, 0.0004343300000000, 0.0018498000000000 ] - [ -0.0011215900000000, -0.0009914400000000, -0.0007471800000000 ] - [ 0.0000478600000000, 0.0008386100000000, 0.0001592000000000 ] - [ 0.0004638800000000, 0.0011671800000000, -0.0003024100000000 ] - [ -0.0007418200000000, -0.0008790300000000, 0.0006432400000000 ] - [ -0.0001863000000000, -0.0001592500000000, 0.0012329400000000 ] - [ 0.0016570000000000, 0.0044235500000000, 0.0069311700000000 ] - [ -0.0012723100000000, 0.0004421900000000, 0.0015461200000000 ] - [ 0.0000093900000000, 0.0002727600000000, 0.0003981500000000 ] - [ -0.0000061900000000, 0.0006703100000000, -0.0000246400000000 ] - [ -0.0051688200000000, 0.0174236200000000, -0.0052564500000000 ] - [ -0.0078632400000000, -0.0047094900000000, 0.0089732900000000 ] - [ -0.0000858000000000, -0.0004784300000000, 0.0005732900000000 ] - [ 0.0037378000000000, -0.0049794200000000, 0.0003941300000000 ] - [ -0.0007032300000000, -0.0002645700000000, 0.0010570100000000 ] - [ -0.0014366400000000, 0.0004963300000000, -0.0018438700000000 ] - [ 0.0005743200000000, -0.0001295900000000, 0.0012524000000000 ] - [ -0.0005656100000000, 0.0007196900000000, -0.0005991000000000 ] - [ 0.0002569100000000, -0.0007343000000000, 0.0010089800000000 ] - [ -0.0012113600000000, 0.0015948900000000, 0.0054827000000000 ] - [ -0.0006484200000000, -0.0009882400000000, -0.0023298200000000 ] - [ -0.0021012100000000, 0.0058530200000000, -0.0070781400000000 ] - [ -0.0002457500000000, 0.0000628300000000, 0.0000221800000000 ] - [ -0.0156186100000000, -0.0382754000000000, -0.0131818400000000 ] - [ 0.0003625900000000, -0.0006817400000000, -0.0019048900000000 ] - [ 0.0038675300000000, -0.0023955800000000, -0.0034784700000000 ] - [ -0.0019520800000000, -0.0003788800000000, -0.0009626500000000 ] - [ -0.0463723800000000, -0.0654343200000000, 0.0252185200000000 ] - [ 0.0005148800000000, -0.0003688500000000, -0.0020670700000000 ] - [ 0.0020559800000000, 0.0006754700000000, -0.0010515400000000 ] - [ -0.0032749200000000, 0.0012205900000000, -0.0066622600000000 ] - [ -0.0114148000000000, -0.0081053700000000, -0.0001511200000000 ] - [ 0.0000435600000000, -0.0008857600000000, -0.0021018100000000 ] - [ 0.0012003400000000, -0.0008676700000000, 0.0017541800000000 ] - [ 0.0009103900000000, 0.0005900400000000, -0.0024575000000000 ] - [ 0.0029938800000000, 0.0008563600000000, 0.0022435300000000 ] - [ 0.0002409000000000, -0.0012080000000000, -0.0024242800000000 ] - [ -0.0027708600000000, -0.0003491600000000, 0.0034634400000000 ] - [ 0.0018157900000000, -0.0001282100000000, -0.0014948600000000 ] - [ 0.0047430400000000, -0.0014653500000000, 0.0026450600000000 ] - [ -0.0005100200000000, -0.0004327300000000, -0.0029172400000000 ] - [ -0.0040313500000000, -0.0015701100000000, -0.0018206600000000 ] - [ 0.0014856800000000, 0.0010480100000000, 0.0016770900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015012900000000, 0.0003193100000000, -0.0008341800000000 ] - [ 0.0000928800000000, -0.0001981100000000, -0.0001140800000000 ] - [ 0.0021405400000000, -0.0000420500000000, 0.0005008100000000 ] - [ -0.0001442300000000, 0.0002486200000000, 0.0005255900000000 ] - [ -0.0000916600000000, -0.0001923200000000, -0.0030925600000000 ] - [ -0.0010124500000000, -0.0001735800000000, -0.0000028800000000 ] - [ -0.0010183500000000, -0.0001106000000000, 0.0000129300000000 ] - [ 0.0005683700000000, 0.0002892100000000, 0.0019160300000000 ] - [ -0.0010343100000000, 0.0018730000000000, -0.0027967600000000 ] - [ 0.0009776100000000, -0.0001623400000000, -0.0000527000000000 ] - [ 0.0002862100000000, -0.0000386500000000, -0.0005298600000000 ] - [ -0.0004944300000000, 0.0002532400000000, 0.0019383800000000 ] - [ 0.0494926800000000, 0.0337439200000000, -0.0543724000000000 ] - [ -0.0002926600000000, 0.0003673000000000, -0.0002012800000000 ] - [ -0.0015440200000000, -0.0008736900000000, 0.0009111800000000 ] - [ 0.0017015600000000, 0.0010398300000000, 0.0013914800000000 ] - [ 0.0003197100000000, -0.0001923800000000, 0.0021515600000000 ] - [ 0.0000399100000000, 0.0001385400000000, -0.0009087000000000 ] - [ -0.0003641400000000, 0.0000290300000000, 0.0005557400000000 ] - [ 0.0020312500000000, 0.0001414700000000, 0.0070000000000000 ] - [ 0.0001561800000000, 0.0005728700000000, 0.0000293200000000 ] - [ -0.0011744800000000, 0.0007687400000000, -0.0010154800000000 ] - [ 0.0027737500000000, 0.0009098800000000, -0.0035346600000000 ] - [ -0.0000969900000000, -0.0002164100000000, -0.0002112800000000 ] - [ -0.0015882600000000, -0.0001530400000000, 0.0005549800000000 ] - [ 0.0000847000000000, 0.0003887100000000, 0.0007962500000000 ] - [ -0.0035670100000000, -0.0011004200000000, -0.0005405700000000 ] - [ -0.0008868100000000, -0.0001590000000000, 0.0004136600000000 ] - [ -0.0053316000000000, -0.0131819900000000, 0.0060282600000000 ] - [ 0.0011158000000000, 0.0002339200000000, 0.0014430700000000 ] - [ -0.0012313500000000, 0.0003813700000000, -0.0015602200000000 ] - [ 0.0008871100000000, -0.0000531500000000, 0.0004744400000000 ] - [ 0.0013850600000000, -0.0003153200000000, -0.0003542800000000 ] - [ -0.0011804400000000, 0.0002923900000000, 0.0015196800000000 ] - [ 0.0004000500000000, 0.0002140800000000, -0.0007595400000000 ] - [ -0.0000207900000000, 0.0006861600000000, 0.0001052500000000 ] - [ 0.0006028700000000, 0.0008296200000000, 0.0003961800000000 ] - [ 0.0003223000000000, 0.0001129900000000, 0.0006358500000000 ] - [ -0.0001039100000000, -0.0001123100000000, 0.0008567700000000 ] - [ -0.0066710300000000, -0.0077121600000000, 0.0126373200000000 ] - [ -0.0020680900000000, 0.0010015900000000, 0.0023402100000000 ] - [ 0.0003148900000000, 0.0001315500000000, 0.0004230900000000 ] - [ 0.0001739000000000, 0.0005032100000000, -0.0001494000000000 ] - [ -0.0018136200000000, 0.0047200200000000, -0.0055144700000000 ] - [ -0.0022164500000000, -0.0011975200000000, 0.0014102800000000 ] - [ 0.0001135800000000, -0.0004337600000000, 0.0004457100000000 ] - [ 0.0007359100000000, -0.0016275100000000, -0.0004880100000000 ] - [ -0.0006052200000000, -0.0002683700000000, 0.0007815600000000 ] - [ 0.0010281700000000, 0.0011473600000000, -0.0000529000000000 ] - [ 0.0002552500000000, -0.0004178400000000, 0.0009195200000000 ] - [ -0.0000238400000000, 0.0004748100000000, -0.0004658400000000 ] - [ 0.0002085000000000, -0.0006957000000000, 0.0008512500000000 ] - [ 0.0042990100000000, -0.0026851000000000, 0.0036422800000000 ] - [ -0.0004086900000000, -0.0009402900000000, -0.0021393300000000 ] - [ -0.0010677500000000, 0.0015773600000000, 0.0002075100000000 ] - [ -0.0001986600000000, 0.0004590100000000, -0.0002033400000000 ] - [ 0.0004359000000000, 0.0112017400000000, 0.0111911900000000 ] - [ 0.0003250300000000, -0.0007018600000000, -0.0017245700000000 ] - [ 0.0037496900000000, -0.0006671400000000, -0.0018971900000000 ] - [ -0.0013057300000000, -0.0005755900000000, -0.0011152800000000 ] - [ -0.0344505500000000, -0.0291177600000000, 0.0318667600000000 ] - [ 0.0002591200000000, -0.0003779200000000, -0.0016774600000000 ] - [ 0.0011247600000000, 0.0002692800000000, -0.0004741600000000 ] - [ -0.0018910100000000, 0.0035534400000000, -0.0059438600000000 ] - [ -0.0007019000000000, -0.0008932700000000, 0.0017211700000000 ] - [ -0.0001773900000000, -0.0007948600000000, -0.0017247100000000 ] - [ 0.0002438300000000, -0.0005219100000000, 0.0013061100000000 ] - [ 0.0013194100000000, -0.0008870100000000, -0.0010336500000000 ] - [ 0.0012524500000000, -0.0000435300000000, 0.0005895000000000 ] - [ 0.0002761200000000, -0.0010120200000000, -0.0020232500000000 ] - [ -0.0016118700000000, -0.0011989600000000, 0.0023396100000000 ] - [ 0.0005768100000000, 0.0003075700000000, -0.0003492600000000 ] - [ 0.0006844000000000, -0.0001439100000000, 0.0017124500000000 ] - [ -0.0001866400000000, -0.0001777200000000, -0.0027716700000000 ] - [ -0.0044697600000000, 0.0014580000000000, -0.0044048300000000 ] - [ -0.0002079000000000, -0.0002720500000000, 0.0004916600000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0015103100000000, 0.0001381100000000, -0.0000723700000000 ] - [ -0.0000926400000000, -0.0002574400000000, -0.0007896800000000 ] - [ -0.0021417100000000, -0.0004126500000000, 0.0003974900000000 ] - [ 0.0001445100000000, 0.0002070000000000, 0.0003780000000000 ] - [ 0.0019186600000000, 0.0006715300000000, 0.0016311500000000 ] - [ -0.0008117300000000, -0.0002963900000000, -0.0014562600000000 ] - [ -0.0008061600000000, -0.0003590600000000, 0.0014415600000000 ] - [ 0.0012586500000000, 0.0001801800000000, -0.0004573300000000 ] - [ -0.0007958100000000, -0.0013617900000000, 0.0012592400000000 ] - [ 0.0008469400000000, -0.0003076700000000, -0.0014072400000000 ] - [ 0.0015344400000000, -0.0004260300000000, 0.0019818100000000 ] - [ -0.0013338200000000, 0.0002164500000000, -0.0004817600000000 ] - [ -0.0492713500000000, -0.0347460100000000, 0.0531624000000000 ] - [ -0.0007247400000000, -0.0003044700000000, -0.0007950900000000 ] - [ 0.0005276000000000, 0.0009381500000000, 0.0000835800000000 ] - [ -0.0006917400000000, -0.0011077300000000, -0.0004006100000000 ] - [ -0.0003186100000000, 0.0000086300000000, -0.0021506100000000 ] - [ -0.0000401000000000, 0.0000421900000000, 0.0009175400000000 ] - [ -0.0006544400000000, -0.0000915100000000, 0.0004420000000000 ] - [ -0.0010229200000000, -0.0000273700000000, -0.0059076200000000 ] - [ 0.0008601700000000, -0.0005097600000000, -0.0010268800000000 ] - [ 0.0001883600000000, -0.0008346200000000, 0.0000223600000000 ] - [ -0.0028153900000000, -0.0004062000000000, 0.0026525400000000 ] - [ 0.0000970400000000, -0.0002392100000000, -0.0006924200000000 ] - [ 0.0015880600000000, -0.0003017900000000, 0.0003474500000000 ] - [ -0.0000840900000000, 0.0000661000000000, 0.0001057100000000 ] - [ 0.0053478400000000, 0.0015537000000000, -0.0009278800000000 ] - [ -0.0009388600000000, -0.0003111700000000, -0.0018766600000000 ] - [ 0.0034522800000000, 0.0125358800000000, -0.0044225700000000 ] - [ 0.0007073100000000, 0.0002366000000000, 0.0000164200000000 ] - [ -0.0005943900000000, 0.0000892400000000, 0.0000959800000000 ] - [ 0.0009391700000000, -0.0004180300000000, -0.0019381900000000 ] - [ 0.0004423300000000, -0.0001585800000000, 0.0018105600000000 ] - [ -0.0006426900000000, 0.0001775200000000, -0.0000597500000000 ] - [ 0.0006180400000000, -0.0002813800000000, -0.0002360300000000 ] - [ -0.0009950900000000, -0.0006225900000000, -0.0011016400000000 ] - [ -0.0016148300000000, -0.0007639300000000, 0.0006008600000000 ] - [ 0.0006955500000000, -0.0001763500000000, 0.0003607000000000 ] - [ 0.0001039700000000, -0.0000705400000000, -0.0008602700000000 ] - [ 0.0068640900000000, 0.0079892800000000, -0.0128776200000000 ] - [ 0.0010689100000000, -0.0010750000000000, -0.0013651900000000 ] - [ 0.0007006100000000, -0.0000662400000000, 0.0005705000000000 ] - [ 0.0008433300000000, -0.0004401100000000, -0.0008477500000000 ] - [ 0.0007653500000000, -0.0048390500000000, 0.0045318000000000 ] - [ 0.0017249800000000, 0.0019765900000000, -0.0014076500000000 ] - [ 0.0003842900000000, -0.0003309700000000, -0.0004479700000000 ] - [ -0.0002342700000000, 0.0024197300000000, 0.0004902300000000 ] - [ 0.0001069100000000, -0.0004958000000000, -0.0007828500000000 ] - [ -0.0015433500000000, -0.0003897000000000, 0.0000521100000000 ] - [ 0.0002413000000000, -0.0003474800000000, -0.0009216500000000 ] - [ 0.0005228500000000, 0.0002892700000000, 0.0004701700000000 ] - [ -0.0007048800000000, -0.0000699500000000, -0.0008535000000000 ] - [ -0.0035587600000000, 0.0036377700000000, -0.0045903200000000 ] - [ -0.0003048300000000, -0.0000452300000000, 0.0011743400000000 ] - [ 0.0003463200000000, -0.0025495800000000, 0.0008241800000000 ] - [ 0.0009183200000000, 0.0005257700000000, 0.0011689000000000 ] - [ -0.0010956400000000, -0.0098815400000000, -0.0120898700000000 ] - [ 0.0003916600000000, -0.0002838100000000, 0.0007576200000000 ] - [ -0.0030297100000000, -0.0003195400000000, 0.0028695000000000 ] - [ 0.0005974700000000, 0.0015674500000000, 0.0020894900000000 ] - [ 0.0350767100000000, 0.0299196600000000, -0.0324943100000000 ] - [ -0.0002589300000000, 0.0001815700000000, 0.0009274600000000 ] - [ -0.0011246800000000, -0.0004658700000000, 0.0012329900000000 ] - [ 0.0019039600000000, -0.0033894200000000, 0.0067249900000000 ] - [ 0.0014583700000000, 0.0018756500000000, -0.0026769200000000 ] - [ -0.0005393700000000, -0.0001914300000000, 0.0007583300000000 ] - [ -0.0009602700000000, -0.0004665400000000, -0.0003305700000000 ] - [ -0.0006121500000000, 0.0018851000000000, 0.0020042100000000 ] - [ -0.0019698400000000, 0.0010337300000000, -0.0015527800000000 ] - [ 0.0004369900000000, 0.0000264800000000, 0.0010573600000000 ] - [ 0.0023270800000000, 0.0002099800000000, -0.0013621300000000 ] - [ -0.0012969300000000, 0.0006768100000000, 0.0013154400000000 ] - [ -0.0006978200000000, 0.0003577700000000, -0.0024822200000000 ] - [ 0.0001868400000000, -0.0000171600000000, 0.0020214000000000 ] - [ 0.0044642500000000, -0.0016488700000000, 0.0051408800000000 ] - [ 0.0002107000000000, 0.0004716700000000, 0.0002549200000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005357900000000, 0.0002272000000000, -0.0004517200000000 ] - [ -0.0020106100000000, -0.0002277000000000, -0.0004503500000000 ] - [ -0.0020106100000000, -0.0002277000000000, 0.0004503500000000 ] - [ 0.0005357900000000, 0.0002272000000000, 0.0004517200000000 ] - [ 0.0008776600000000, 0.0008545400000000, -0.0016772900000000 ] - [ -0.0004568800000000, -0.0001821400000000, -0.0003807200000000 ] - [ -0.0004568800000000, -0.0001821400000000, 0.0003807200000000 ] - [ 0.0008776600000000, 0.0008545400000000, 0.0016772900000000 ] - [ -0.0009470700000000, -0.0003810100000000, 0.0002120000000000 ] - [ 0.0013686600000000, -0.0002878400000000, -0.0010765800000000 ] - [ 0.0013686600000000, -0.0002878400000000, 0.0010765800000000 ] - [ -0.0009470700000000, -0.0003810100000000, -0.0002120000000000 ] - [ 0.0002317000000000, -0.0001965300000000, -0.0001783600000000 ] - [ 0.0002369600000000, 0.0006157400000000, -0.0005367800000000 ] - [ 0.0002369600000000, 0.0006157400000000, 0.0005367800000000 ] - [ 0.0002317000000000, -0.0001965300000000, 0.0001783600000000 ] - [ -0.0341093600000000, -0.0004315700000000, 0.0000000000000000 ] - [ 0.0000610100000000, 0.0000913800000000, 0.0000000000000000 ] - [ -0.0003141200000000, -0.0002172600000000, 0.0003943600000000 ] - [ 0.0005517700000000, 0.0017424000000000, 0.0072166200000000 ] - [ 0.0005517700000000, 0.0017424000000000, -0.0072166200000000 ] - [ -0.0003141200000000, -0.0002172600000000, -0.0003943600000000 ] - [ -0.0005188900000000, 0.0002276300000000, -0.0004516200000000 ] - [ 0.0012673600000000, -0.0002279800000000, -0.0004513000000000 ] - [ 0.0012673600000000, -0.0002279800000000, 0.0004513000000000 ] - [ -0.0005188900000000, 0.0002276300000000, 0.0004516200000000 ] - [ 0.0010227600000000, 0.0003028100000000, -0.0003926800000000 ] - [ -0.0013203400000000, -0.0006076500000000, -0.0007365200000000 ] - [ -0.0013203400000000, -0.0006076500000000, 0.0007365200000000 ] - [ 0.0010227600000000, 0.0003028100000000, 0.0003926800000000 ] - [ -0.0008037100000000, 0.0001651600000000, -0.0010707900000000 ] - [ 0.0004951000000000, 0.0001440500000000, -0.0007344500000000 ] - [ 0.0004951000000000, 0.0001440500000000, 0.0007344500000000 ] - [ -0.0008037100000000, 0.0001651600000000, 0.0010707900000000 ] - [ 0.0007017700000000, 0.0001538300000000, -0.0006022500000000 ] - [ -0.0004380700000000, -0.0016675100000000, 0.0063171300000000 ] - [ -0.0004380700000000, -0.0016675100000000, -0.0063171300000000 ] - [ 0.0007017700000000, 0.0001538300000000, 0.0006022500000000 ] - [ 0.0006421300000000, -0.0000903400000000, 0.0000000000000000 ] - [ -0.0000815700000000, 0.0000913800000000, 0.0000000000000000 ] - [ -0.0007843900000000, 0.0001319900000000, 0.0008166700000000 ] - [ 0.0012500700000000, -0.0005496400000000, 0.0004567100000000 ] - [ 0.0012500700000000, -0.0005496400000000, -0.0004567100000000 ] - [ -0.0007843900000000, 0.0001319900000000, -0.0008166700000000 ] - [ -0.0003753400000000, 0.0003132100000000, 0.0000000000000000 ] - [ 0.0015235200000000, 0.0000781400000000, 0.0000000000000000 ] - [ 0.0001226500000000, 0.0004514800000000, 0.0000000000000000 ] - [ 0.0010167200000000, -0.0008394500000000, 0.0000000000000000 ] - [ -0.0001281900000000, 0.0004418300000000, 0.0000000000000000 ] - [ 0.0032150100000000, 0.0070570100000000, 0.0000000000000000 ] - [ 0.0003687200000000, 0.0003226100000000, 0.0000000000000000 ] - [ 0.0027582900000000, -0.0079284600000000, 0.0000000000000000 ] - [ -0.0001674200000000, 0.0005490600000000, -0.0010697200000000 ] - [ -0.0001445200000000, 0.0023483900000000, 0.0014704300000000 ] - [ -0.0001445200000000, 0.0023483900000000, -0.0014704300000000 ] - [ -0.0001674200000000, 0.0005490600000000, 0.0010697200000000 ] - [ -0.0000641900000000, 0.0007911600000000, -0.0006633400000000 ] - [ -0.0014083500000000, -0.0009437300000000, 0.0003830900000000 ] - [ -0.0014083500000000, -0.0009437300000000, -0.0003830900000000 ] - [ -0.0000641900000000, 0.0007911600000000, 0.0006633400000000 ] - [ 0.0008630000000000, 0.0000988700000000, -0.0003763700000000 ] - [ -0.0022131200000000, -0.0001023300000000, -0.0003814700000000 ] - [ -0.0022131200000000, -0.0001023300000000, 0.0003814700000000 ] - [ 0.0008630000000000, 0.0000988700000000, 0.0003763700000000 ] - [ 0.0006518800000000, 0.0001929800000000, -0.0003129500000000 ] - [ -0.0021203100000000, -0.0000422100000000, -0.0013604500000000 ] - [ -0.0021203100000000, -0.0000422100000000, 0.0013604500000000 ] - [ 0.0006518800000000, 0.0001929800000000, 0.0003129500000000 ] - [ -0.0008810200000000, 0.0004367200000000, 0.0001035900000000 ] - [ 0.0005707500000000, -0.0033342600000000, -0.0024498700000000 ] - [ 0.0005707500000000, -0.0033342600000000, 0.0024498700000000 ] - [ -0.0008810200000000, 0.0004367200000000, -0.0001035900000000 ] - [ -0.0004750800000000, 0.0000979400000000, -0.0003761200000000 ] - [ 0.0169360800000000, 0.0001087100000000, -0.0006204500000000 ] - [ 0.0169360800000000, 0.0001087100000000, 0.0006204500000000 ] - [ -0.0004750800000000, 0.0000979400000000, 0.0003761200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0002020300000000, -0.0004810700000000 ] - [ 0.0000000000000000, 0.0022545200000000, 0.0018711300000000 ] - [ 0.0000000000000000, 0.0022545200000000, -0.0018711300000000 ] - [ 0.0000000000000000, 0.0002020300000000, 0.0004810700000000 ] - [ 0.0010888800000000, 0.0008258800000000, -0.0010871200000000 ] - [ -0.0006543200000000, -0.0003118200000000, -0.0005635900000000 ] - [ -0.0006543200000000, -0.0003118200000000, 0.0005635900000000 ] - [ 0.0010888800000000, 0.0008258800000000, 0.0010871200000000 ] - [ -0.0010888800000000, 0.0008258800000000, -0.0010871200000000 ] - [ 0.0006543200000000, -0.0003118200000000, -0.0005635900000000 ] - [ 0.0006543200000000, -0.0003118200000000, 0.0005635900000000 ] - [ -0.0010888800000000, 0.0008258800000000, 0.0010871200000000 ] - [ 0.0005279000000000, -0.0002076800000000, -0.0005983800000000 ] - [ -0.0002972400000000, 0.0002065300000000, -0.0005444900000000 ] - [ -0.0002972400000000, 0.0002065300000000, 0.0005444900000000 ] - [ 0.0005279000000000, -0.0002076800000000, 0.0005983800000000 ] - [ 0.0000000000000000, -0.1288199800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000978700000000, 0.0000000000000000 ] - [ -0.0005037900000000, 0.0000353500000000, 0.0005192700000000 ] - [ -0.0020391200000000, -0.0043676100000000, -0.0073560100000000 ] - [ -0.0020391200000000, -0.0043676100000000, 0.0073560100000000 ] - [ -0.0005037900000000, 0.0000353500000000, -0.0005192700000000 ] - [ 0.0000000000000000, 0.0002629200000000, -0.0004004000000000 ] - [ 0.0000000000000000, -0.0002522000000000, -0.0004095700000000 ] - [ 0.0000000000000000, -0.0002522000000000, 0.0004095700000000 ] - [ 0.0000000000000000, 0.0002629200000000, 0.0004004000000000 ] - [ 0.0010369200000000, 0.0000429600000000, -0.0007231500000000 ] - [ 0.0005212700000000, 0.0009831300000000, -0.0022420900000000 ] - [ 0.0005212700000000, 0.0009831300000000, 0.0022420900000000 ] - [ 0.0010369200000000, 0.0000429600000000, 0.0007231500000000 ] - [ -0.0010369200000000, 0.0000429600000000, -0.0007231500000000 ] - [ -0.0005212700000000, 0.0009831300000000, -0.0022420900000000 ] - [ -0.0005212700000000, 0.0009831300000000, 0.0022420900000000 ] - [ -0.0010369200000000, 0.0000429600000000, 0.0007231500000000 ] - [ 0.0005037900000000, 0.0000353500000000, -0.0005192700000000 ] - [ 0.0020391200000000, -0.0043676100000000, 0.0073560100000000 ] - [ 0.0020391200000000, -0.0043676100000000, -0.0073560100000000 ] - [ 0.0005037900000000, 0.0000353500000000, 0.0005192700000000 ] - [ 0.0000000000000000, 0.0002362900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000941500000000, 0.0000000000000000 ] - [ -0.0005279000000000, -0.0002076800000000, 0.0005983800000000 ] - [ 0.0002972400000000, 0.0002065300000000, 0.0005444900000000 ] - [ 0.0002972400000000, 0.0002065300000000, -0.0005444900000000 ] - [ -0.0005279000000000, -0.0002076800000000, -0.0005983800000000 ] - [ -0.0002512500000000, 0.0004640500000000, 0.0000000000000000 ] - [ 0.0006916800000000, -0.0000431000000000, 0.0000000000000000 ] - [ 0.0002512500000000, 0.0004640500000000, 0.0000000000000000 ] - [ -0.0006916800000000, -0.0000431000000000, 0.0000000000000000 ] - [ -0.0001957600000000, 0.0003506100000000, 0.0000000000000000 ] - [ 0.0042896900000000, 0.0052465900000000, 0.0000000000000000 ] - [ 0.0001957600000000, 0.0003506100000000, 0.0000000000000000 ] - [ -0.0042896900000000, 0.0052465900000000, 0.0000000000000000 ] - [ 0.0004325500000000, 0.0005276300000000, -0.0001766400000000 ] - [ 0.0030798000000000, -0.0045129100000000, -0.0027230600000000 ] - [ 0.0030798000000000, -0.0045129100000000, 0.0027230600000000 ] - [ 0.0004325500000000, 0.0005276300000000, 0.0001766400000000 ] - [ -0.0002801000000000, 0.0004367100000000, -0.0013553500000000 ] - [ 0.0003399300000000, 0.0005990900000000, -0.0003198400000000 ] - [ 0.0003399300000000, 0.0005990900000000, 0.0003198400000000 ] - [ -0.0002801000000000, 0.0004367100000000, 0.0013553500000000 ] - [ 0.0000000000000000, 0.0001215100000000, -0.0001610600000000 ] - [ 0.0000000000000000, -0.0009978700000000, -0.0006424700000000 ] - [ 0.0000000000000000, -0.0009978700000000, 0.0006424700000000 ] - [ 0.0000000000000000, 0.0001215100000000, 0.0001610600000000 ] - [ 0.0002801000000000, 0.0004367100000000, -0.0013553500000000 ] - [ -0.0003399300000000, 0.0005990900000000, -0.0003198400000000 ] - [ -0.0003399300000000, 0.0005990900000000, 0.0003198400000000 ] - [ 0.0002801000000000, 0.0004367100000000, 0.0013553500000000 ] - [ -0.0004325500000000, 0.0005276300000000, -0.0001766400000000 ] - [ -0.0030798000000000, -0.0045129100000000, -0.0027230600000000 ] - [ -0.0030798000000000, -0.0045129100000000, 0.0027230600000000 ] - [ -0.0004325500000000, 0.0005276300000000, 0.0001766400000000 ] - [ 0.0000000000000000, 0.0000598100000000, -0.0003539800000000 ] - [ 0.0000000000000000, 0.0680124700000000, -0.0695208400000000 ] - [ 0.0000000000000000, 0.0680124700000000, 0.0695208400000000 ] - [ 0.0000000000000000, 0.0000598100000000, 0.0003539800000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0002529100000000, -0.0004223400000000 ] - [ 0.0000000000000000, -0.0026989500000000, -0.0027566900000000 ] - [ 0.0000000000000000, -0.0026989500000000, 0.0027566900000000 ] - [ 0.0000000000000000, 0.0002529100000000, 0.0004223400000000 ] - [ 0.0007340300000000, -0.0003579100000000, -0.0003735500000000 ] - [ -0.0011704600000000, -0.0001577100000000, -0.0008927400000000 ] - [ -0.0011704600000000, -0.0001577100000000, 0.0008927400000000 ] - [ 0.0007340300000000, -0.0003579100000000, 0.0003735500000000 ] - [ -0.0007340300000000, -0.0003579100000000, -0.0003735500000000 ] - [ 0.0011704600000000, -0.0001577100000000, -0.0008927400000000 ] - [ 0.0011704600000000, -0.0001577100000000, 0.0008927400000000 ] - [ -0.0007340300000000, -0.0003579100000000, 0.0003735500000000 ] - [ 0.0004885800000000, 0.0001439500000000, -0.0003972900000000 ] - [ -0.0007191300000000, -0.0001415600000000, -0.0004482400000000 ] - [ -0.0007191300000000, -0.0001415600000000, 0.0004482400000000 ] - [ 0.0004885800000000, 0.0001439500000000, 0.0003972900000000 ] - [ 0.0000000000000000, 0.1295036600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000850900000000, 0.0000000000000000 ] - [ -0.0005123400000000, -0.0000988700000000, 0.0004774000000000 ] - [ 0.0029952600000000, 0.0044269400000000, 0.0083449500000000 ] - [ 0.0029952600000000, 0.0044269400000000, -0.0083449500000000 ] - [ -0.0005123400000000, -0.0000988700000000, -0.0004774000000000 ] - [ 0.0000000000000000, 0.0001923900000000, -0.0005027000000000 ] - [ 0.0000000000000000, -0.0002033300000000, -0.0004928000000000 ] - [ 0.0000000000000000, -0.0002033300000000, 0.0004928000000000 ] - [ 0.0000000000000000, 0.0001923900000000, 0.0005027000000000 ] - [ 0.0007892900000000, 0.0004257300000000, -0.0007400200000000 ] - [ -0.0023422600000000, -0.0014490300000000, 0.0007799800000000 ] - [ -0.0023422600000000, -0.0014490300000000, -0.0007799800000000 ] - [ 0.0007892900000000, 0.0004257300000000, 0.0007400200000000 ] - [ -0.0007892900000000, 0.0004257300000000, -0.0007400200000000 ] - [ 0.0023422600000000, -0.0014490300000000, 0.0007799800000000 ] - [ 0.0023422600000000, -0.0014490300000000, -0.0007799800000000 ] - [ -0.0007892900000000, 0.0004257300000000, 0.0007400200000000 ] - [ 0.0005123400000000, -0.0000988700000000, -0.0004774000000000 ] - [ -0.0029952600000000, 0.0044269400000000, -0.0083449500000000 ] - [ -0.0029952600000000, 0.0044269400000000, 0.0083449500000000 ] - [ 0.0005123400000000, -0.0000988700000000, 0.0004774000000000 ] - [ 0.0000000000000000, -0.0004215000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000886900000000, 0.0000000000000000 ] - [ -0.0004885800000000, 0.0001439500000000, 0.0003972900000000 ] - [ 0.0007191300000000, -0.0001415600000000, 0.0004482400000000 ] - [ 0.0007191300000000, -0.0001415600000000, -0.0004482400000000 ] - [ -0.0004885800000000, 0.0001439500000000, -0.0003972900000000 ] - [ -0.0002466000000000, 0.0003006800000000, 0.0000000000000000 ] - [ -0.0001938100000000, -0.0007236700000000, 0.0000000000000000 ] - [ 0.0002466000000000, 0.0003006800000000, 0.0000000000000000 ] - [ 0.0001938100000000, -0.0007236700000000, 0.0000000000000000 ] - [ -0.0003009700000000, 0.0004140300000000, 0.0000000000000000 ] - [ -0.0039262700000000, -0.0061240500000000, 0.0000000000000000 ] - [ 0.0003009700000000, 0.0004140300000000, 0.0000000000000000 ] - [ 0.0039262700000000, -0.0061240500000000, 0.0000000000000000 ] - [ 0.0002801700000000, 0.0004578700000000, -0.0007896300000000 ] - [ -0.0038013300000000, 0.0035319100000000, 0.0017256800000000 ] - [ -0.0038013300000000, 0.0035319100000000, -0.0017256800000000 ] - [ 0.0002801700000000, 0.0004578700000000, 0.0007896300000000 ] - [ -0.0004354100000000, 0.0005507900000000, 0.0003827100000000 ] - [ 0.0003723600000000, -0.0015891900000000, -0.0006573700000000 ] - [ 0.0003723600000000, -0.0015891900000000, 0.0006573700000000 ] - [ -0.0004354100000000, 0.0005507900000000, -0.0003827100000000 ] - [ 0.0000000000000000, 0.0000751700000000, -0.0005927200000000 ] - [ 0.0000000000000000, 0.0008033500000000, -0.0001151100000000 ] - [ 0.0000000000000000, 0.0008033500000000, 0.0001151100000000 ] - [ 0.0000000000000000, 0.0000751700000000, 0.0005927200000000 ] - [ 0.0004354100000000, 0.0005507900000000, 0.0003827100000000 ] - [ -0.0003723600000000, -0.0015891900000000, -0.0006573700000000 ] - [ -0.0003723600000000, -0.0015891900000000, 0.0006573700000000 ] - [ 0.0004354100000000, 0.0005507900000000, -0.0003827100000000 ] - [ -0.0002801700000000, 0.0004578700000000, -0.0007896300000000 ] - [ 0.0038013300000000, 0.0035319100000000, 0.0017256800000000 ] - [ 0.0038013300000000, 0.0035319100000000, -0.0017256800000000 ] - [ -0.0002801700000000, 0.0004578700000000, 0.0007896300000000 ] - [ 0.0000000000000000, 0.0001363600000000, -0.0003980600000000 ] - [ 0.0000000000000000, -0.0685386900000000, 0.0707823900000000 ] - [ 0.0000000000000000, -0.0685386900000000, -0.0707823900000000 ] - [ 0.0000000000000000, 0.0001363600000000, 0.0003980600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0001934200000000, 0.0002183400000000 ] - [ 0.0000000000000000, 0.0021413500000000, 0.0009000900000000 ] - [ 0.0000000000000000, -0.0025784400000000, 0.0017791900000000 ] - [ 0.0000000000000000, 0.0002717700000000, 0.0011072600000000 ] - [ 0.0001122100000000, -0.0003950500000000, 0.0026040300000000 ] - [ 0.0008478400000000, -0.0002826100000000, 0.0002956700000000 ] - [ -0.0026617800000000, -0.0001956900000000, 0.0017350300000000 ] - [ 0.0017176600000000, 0.0008922300000000, 0.0040507600000000 ] - [ -0.0001122100000000, -0.0003950500000000, 0.0026040300000000 ] - [ -0.0008478400000000, -0.0002826100000000, 0.0002956700000000 ] - [ 0.0026617800000000, -0.0001956900000000, 0.0017350300000000 ] - [ -0.0017176600000000, 0.0008922300000000, 0.0040507600000000 ] - [ -0.0004559200000000, -0.0018473500000000, 0.0016485500000000 ] - [ -0.0025909700000000, -0.0015975400000000, -0.0014155500000000 ] - [ 0.0015656400000000, 0.0016641100000000, -0.0004109900000000 ] - [ 0.0014778100000000, 0.0017728400000000, 0.0026541500000000 ] - [ 0.0000000000000000, 0.0033770700000000, -0.2293170200000000 ] - [ 0.0000000000000000, 0.0000917400000000, 0.0031347700000000 ] - [ -0.0016335400000000, 0.0011904700000000, 0.0013600200000000 ] - [ 0.0143760200000000, -0.0068124800000000, 0.0131150200000000 ] - [ -0.0135850700000000, 0.0069277100000000, 0.0123996900000000 ] - [ 0.0006099600000000, -0.0012657000000000, 0.0003571600000000 ] - [ 0.0000000000000000, 0.0002798400000000, 0.0007176100000000 ] - [ 0.0000000000000000, -0.0000880000000000, -0.0007469800000000 ] - [ 0.0000000000000000, -0.0003788200000000, 0.0001431500000000 ] - [ 0.0000000000000000, 0.0001844000000000, 0.0016060900000000 ] - [ 0.0017005100000000, -0.0001928400000000, 0.0000126600000000 ] - [ -0.0049807100000000, -0.0013682500000000, 0.0046728600000000 ] - [ 0.0031531400000000, 0.0008824900000000, 0.0061312800000000 ] - [ 0.0001262700000000, 0.0006707700000000, 0.0014480500000000 ] - [ -0.0017005100000000, -0.0001928400000000, 0.0000126600000000 ] - [ 0.0049807100000000, -0.0013682500000000, 0.0046728600000000 ] - [ -0.0031531400000000, 0.0008824900000000, 0.0061312800000000 ] - [ -0.0001262700000000, 0.0006707700000000, 0.0014480500000000 ] - [ -0.0006099600000000, -0.0012657000000000, 0.0003571600000000 ] - [ 0.0135850700000000, 0.0069277100000000, 0.0123996900000000 ] - [ -0.0143760200000000, -0.0068124800000000, 0.0131150200000000 ] - [ 0.0016335400000000, 0.0011904700000000, 0.0013600200000000 ] - [ 0.0000000000000000, -0.0000917500000000, -0.0040680900000000 ] - [ 0.0000000000000000, 0.0000914000000000, 0.0054070100000000 ] - [ -0.0014778100000000, 0.0017728400000000, 0.0026541500000000 ] - [ -0.0015656400000000, 0.0016641100000000, -0.0004109900000000 ] - [ 0.0025909700000000, -0.0015975400000000, -0.0014155500000000 ] - [ 0.0004559200000000, -0.0018473500000000, 0.0016485500000000 ] - [ -0.0002468800000000, 0.0003842300000000, 0.0027253300000000 ] - [ 0.0002418600000000, -0.0003852200000000, -0.0028763600000000 ] - [ 0.0002468800000000, 0.0003842300000000, 0.0027253300000000 ] - [ -0.0002418600000000, -0.0003852200000000, -0.0028763600000000 ] - [ -0.0002470700000000, 0.0003829400000000, 0.0021216800000000 ] - [ 0.0002625200000000, -0.0003551100000000, -0.0076829000000000 ] - [ 0.0002470700000000, 0.0003829400000000, 0.0021216800000000 ] - [ -0.0002625200000000, -0.0003551100000000, -0.0076829000000000 ] - [ -0.0011368300000000, 0.0011074500000000, -0.0038414300000000 ] - [ 0.0071917500000000, -0.0118470300000000, -0.0018614800000000 ] - [ -0.0078803900000000, 0.0107759900000000, -0.0009358600000000 ] - [ 0.0018473700000000, -0.0001132400000000, -0.0028859400000000 ] - [ -0.0012220200000000, 0.0017337500000000, -0.0068453800000000 ] - [ 0.0052898200000000, 0.0014198800000000, 0.0012118600000000 ] - [ -0.0045672700000000, -0.0023898000000000, 0.0021622400000000 ] - [ 0.0005197900000000, -0.0007403000000000, -0.0058689700000000 ] - [ 0.0000000000000000, 0.0013618600000000, -0.0080528600000000 ] - [ 0.0000000000000000, 0.0014853800000000, 0.0047982400000000 ] - [ 0.0000000000000000, -0.0016704000000000, 0.0055281500000000 ] - [ 0.0000000000000000, -0.0011801400000000, -0.0073160000000000 ] - [ 0.0012220200000000, 0.0017337500000000, -0.0068453800000000 ] - [ -0.0052898200000000, 0.0014198800000000, 0.0012118600000000 ] - [ 0.0045672700000000, -0.0023898000000000, 0.0021622400000000 ] - [ -0.0005197900000000, -0.0007403000000000, -0.0058689700000000 ] - [ 0.0011368300000000, 0.0011074500000000, -0.0038414300000000 ] - [ -0.0071917500000000, -0.0118470300000000, -0.0018614800000000 ] - [ 0.0078803900000000, 0.0107759900000000, -0.0009358600000000 ] - [ -0.0018473700000000, -0.0001132400000000, -0.0028859400000000 ] - [ 0.0000000000000000, 0.0009566400000000, -0.0043539000000000 ] - [ 0.0000000000000000, -0.0448794500000000, 0.0922994600000000 ] - [ 0.0000000000000000, 0.0411701200000000, 0.0876604000000000 ] - [ 0.0000000000000000, -0.0007713100000000, -0.0036072200000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0032125700000000, 0.0002253100000000, -0.0003456700000000 ] - [ -0.0010614200000000, -0.0002851700000000, -0.0003685200000000 ] - [ -0.0010614200000000, -0.0002851700000000, 0.0003685200000000 ] - [ 0.0032125700000000, 0.0002253100000000, 0.0003456700000000 ] - [ -0.0002037300000000, 0.0003833700000000, -0.0004894600000000 ] - [ -0.0007026400000000, 0.0000530100000000, -0.0037448300000000 ] - [ -0.0007026400000000, 0.0000530100000000, 0.0037448300000000 ] - [ -0.0002037300000000, 0.0003833700000000, 0.0004894600000000 ] - [ 0.0004589900000000, 0.0002691900000000, -0.0028365500000000 ] - [ 0.0013813900000000, -0.0001284900000000, -0.0007255800000000 ] - [ 0.0013813900000000, -0.0001284900000000, 0.0007255800000000 ] - [ 0.0004589900000000, 0.0002691900000000, 0.0028365500000000 ] - [ 0.0054473500000000, 0.0075628700000000, -0.0024656700000000 ] - [ -0.0000219900000000, 0.0003654700000000, -0.0003628100000000 ] - [ -0.0000219900000000, 0.0003654700000000, 0.0003628100000000 ] - [ 0.0054473500000000, 0.0075628700000000, 0.0024656700000000 ] - [ -0.0001261200000000, -0.0000940600000000, 0.0000000000000000 ] - [ 0.0012766900000000, 0.0005377400000000, 0.0000000000000000 ] - [ 0.0011167500000000, -0.0008459000000000, 0.0002239600000000 ] - [ 0.0002472000000000, 0.0005351100000000, 0.0000421200000000 ] - [ 0.0002472000000000, 0.0005351100000000, -0.0000421200000000 ] - [ 0.0011167500000000, -0.0008459000000000, -0.0002239600000000 ] - [ -0.0009230700000000, -0.0002689500000000, -0.0016840200000000 ] - [ 0.0009636700000000, -0.0002493700000000, -0.0005181100000000 ] - [ 0.0009636700000000, -0.0002493700000000, 0.0005181100000000 ] - [ -0.0009230700000000, -0.0002689500000000, 0.0016840200000000 ] - [ 0.0018330800000000, 0.0001242800000000, -0.0010178500000000 ] - [ -0.0006893800000000, -0.0001049700000000, 0.0005253800000000 ] - [ -0.0006893800000000, -0.0001049700000000, -0.0005253800000000 ] - [ 0.0018330800000000, 0.0001242800000000, 0.0010178500000000 ] - [ -0.0007552700000000, -0.0014711700000000, 0.0011692000000000 ] - [ 0.0002607000000000, -0.0002872100000000, -0.0014997900000000 ] - [ 0.0002607000000000, -0.0002872100000000, 0.0014997900000000 ] - [ -0.0007552700000000, -0.0014711700000000, -0.0011692000000000 ] - [ 0.0023919600000000, 0.0011633500000000, 0.0008009200000000 ] - [ -0.0010273500000000, -0.0002901300000000, -0.0005044100000000 ] - [ -0.0010273500000000, -0.0002901300000000, 0.0005044100000000 ] - [ 0.0023919600000000, 0.0011633500000000, -0.0008009200000000 ] - [ 0.0001202100000000, -0.0000386100000000, 0.0000000000000000 ] - [ 0.0029832500000000, 0.0041712000000000, 0.0000000000000000 ] - [ -0.0049142100000000, 0.0034463800000000, 0.0009884500000000 ] - [ 0.0007810200000000, -0.0004213000000000, 0.0008548300000000 ] - [ 0.0007810200000000, -0.0004213000000000, -0.0008548300000000 ] - [ -0.0049142100000000, 0.0034463800000000, -0.0009884500000000 ] - [ -0.0251057000000000, -0.0066013700000000, 0.0000000000000000 ] - [ 0.0003345000000000, -0.0003112800000000, 0.0000000000000000 ] - [ 0.0018585400000000, 0.0005418600000000, 0.0000000000000000 ] - [ 0.0001346600000000, -0.0005049400000000, 0.0000000000000000 ] - [ 0.0007364500000000, 0.0007798300000000, 0.0000000000000000 ] - [ 0.0002150500000000, -0.0005140800000000, 0.0000000000000000 ] - [ 0.0010852000000000, 0.0004133400000000, 0.0000000000000000 ] - [ -0.0006167700000000, -0.0002125400000000, 0.0000000000000000 ] - [ -0.0031643800000000, 0.0007945200000000, -0.0007618500000000 ] - [ -0.0002129000000000, -0.0008574000000000, -0.0022009600000000 ] - [ -0.0002129000000000, -0.0008574000000000, 0.0022009600000000 ] - [ -0.0031643800000000, 0.0007945200000000, 0.0007618500000000 ] - [ -0.0013924900000000, -0.0029297800000000, 0.0011019000000000 ] - [ -0.0008794600000000, -0.0004505100000000, -0.0010516600000000 ] - [ -0.0008794600000000, -0.0004505100000000, 0.0010516600000000 ] - [ -0.0013924900000000, -0.0029297800000000, -0.0011019000000000 ] - [ 0.0056907400000000, -0.0033276300000000, -0.0000335200000000 ] - [ -0.0010698600000000, -0.0002576600000000, -0.0001021500000000 ] - [ -0.0010698600000000, -0.0002576600000000, 0.0001021500000000 ] - [ 0.0056907400000000, -0.0033276300000000, 0.0000335200000000 ] - [ 0.0049802500000000, -0.0027776400000000, -0.0015944700000000 ] - [ -0.0003902100000000, 0.0000966200000000, 0.0009776100000000 ] - [ -0.0003902100000000, 0.0000966200000000, -0.0009776100000000 ] - [ 0.0049802500000000, -0.0027776400000000, 0.0015944700000000 ] - [ -0.0020547300000000, 0.0019695500000000, -0.0041575600000000 ] - [ 0.0018395100000000, -0.0002808800000000, -0.0001874800000000 ] - [ 0.0018395100000000, -0.0002808800000000, 0.0001874800000000 ] - [ -0.0020547300000000, 0.0019695500000000, 0.0041575600000000 ] - [ -0.0036135100000000, -0.0005635200000000, -0.0010955800000000 ] - [ 0.0010234500000000, -0.0002748800000000, -0.0008197600000000 ] - [ 0.0010234500000000, -0.0002748800000000, 0.0008197600000000 ] - [ -0.0036135100000000, -0.0005635200000000, 0.0010955800000000 ]- atom: 45 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0032051900000000, 0.0002288000000000, -0.0005598100000000 ] - [ 0.0010674700000000, -0.0001695500000000, -0.0005344200000000 ] - [ 0.0010674700000000, -0.0001695500000000, 0.0005344200000000 ] - [ -0.0032051900000000, 0.0002288000000000, 0.0005598100000000 ] - [ 0.0020245000000000, 0.0000907300000000, -0.0009972900000000 ] - [ -0.0011216800000000, -0.0005190100000000, 0.0022530200000000 ] - [ -0.0011216800000000, -0.0005190100000000, -0.0022530200000000 ] - [ 0.0020245000000000, 0.0000907300000000, 0.0009972900000000 ] - [ -0.0022831200000000, 0.0002024700000000, 0.0013807400000000 ] - [ 0.0004452300000000, -0.0003411600000000, -0.0007378400000000 ] - [ 0.0004452300000000, -0.0003411600000000, 0.0007378400000000 ] - [ -0.0022831200000000, 0.0002024700000000, -0.0013807400000000 ] - [ -0.0044596700000000, -0.0076701900000000, 0.0014759800000000 ] - [ -0.0009927800000000, -0.0003015500000000, -0.0006335500000000 ] - [ -0.0009927800000000, -0.0003015500000000, 0.0006335500000000 ] - [ -0.0044596700000000, -0.0076701900000000, -0.0014759800000000 ] - [ 0.0001268700000000, -0.0000894600000000, 0.0000000000000000 ] - [ -0.0012634200000000, -0.0003476900000000, 0.0000000000000000 ] - [ -0.0021287600000000, 0.0007814400000000, 0.0007706800000000 ] - [ 0.0007715200000000, -0.0004736200000000, 0.0009554300000000 ] - [ 0.0007715200000000, -0.0004736200000000, -0.0009554300000000 ] - [ -0.0021287600000000, 0.0007814400000000, -0.0007706800000000 ] - [ 0.0009371200000000, 0.0007242900000000, 0.0007814200000000 ] - [ -0.0009646900000000, -0.0002062800000000, -0.0003859300000000 ] - [ -0.0009646900000000, -0.0002062800000000, 0.0003859300000000 ] - [ 0.0009371200000000, 0.0007242900000000, -0.0007814200000000 ] - [ -0.0000072000000000, 0.0003436400000000, -0.0004401300000000 ] - [ -0.0011318900000000, -0.0003655400000000, -0.0019850300000000 ] - [ -0.0011318900000000, -0.0003655400000000, 0.0019850300000000 ] - [ -0.0000072000000000, 0.0003436400000000, 0.0004401300000000 ] - [ -0.0010755100000000, 0.0019150700000000, -0.0026218700000000 ] - [ 0.0015647700000000, -0.0001813800000000, 0.0000622200000000 ] - [ 0.0015647700000000, -0.0001813800000000, -0.0000622200000000 ] - [ -0.0010755100000000, 0.0019150700000000, 0.0026218700000000 ] - [ -0.0013584100000000, -0.0012168300000000, -0.0017707800000000 ] - [ 0.0000126500000000, 0.0003566600000000, -0.0004905100000000 ] - [ 0.0000126500000000, 0.0003566600000000, 0.0004905100000000 ] - [ -0.0013584100000000, -0.0012168300000000, 0.0017707800000000 ] - [ -0.0001200800000000, -0.0001436900000000, 0.0000000000000000 ] - [ -0.0029900800000000, -0.0040441200000000, 0.0000000000000000 ] - [ 0.0039222500000000, -0.0035172500000000, 0.0000182000000000 ] - [ 0.0002338400000000, 0.0004837400000000, 0.0001427300000000 ] - [ 0.0002338400000000, 0.0004837400000000, -0.0001427300000000 ] - [ 0.0039222500000000, -0.0035172500000000, -0.0000182000000000 ] - [ 0.0249240800000000, 0.0076988100000000, 0.0000000000000000 ] - [ 0.0001609900000000, -0.0004535200000000, 0.0000000000000000 ] - [ -0.0014006800000000, 0.0002117400000000, 0.0000000000000000 ] - [ -0.0006309800000000, -0.0002599600000000, 0.0000000000000000 ] - [ -0.0012309800000000, -0.0000144200000000, 0.0000000000000000 ] - [ 0.0002843900000000, -0.0002497900000000, 0.0000000000000000 ] - [ -0.0005880800000000, 0.0003558900000000, 0.0000000000000000 ] - [ 0.0001194600000000, -0.0005547900000000, 0.0000000000000000 ] - [ 0.0038769200000000, 0.0001929000000000, -0.0002132700000000 ] - [ -0.0005091900000000, -0.0001303700000000, 0.0012357900000000 ] - [ -0.0005091900000000, -0.0001303700000000, -0.0012357900000000 ] - [ 0.0038769200000000, 0.0001929000000000, 0.0002132700000000 ] - [ 0.0006463600000000, 0.0039335600000000, -0.0020673400000000 ] - [ 0.0015921200000000, -0.0005345000000000, 0.0000862200000000 ] - [ 0.0015921200000000, -0.0005345000000000, -0.0000862200000000 ] - [ 0.0006463600000000, 0.0039335600000000, 0.0020673400000000 ] - [ -0.0058772100000000, 0.0034069500000000, -0.0005447000000000 ] - [ 0.0010685000000000, 0.0000593800000000, -0.0006482300000000 ] - [ 0.0010685000000000, 0.0000593800000000, 0.0006482300000000 ] - [ -0.0058772100000000, 0.0034069500000000, 0.0005447000000000 ] - [ -0.0042395300000000, 0.0037918900000000, 0.0006661700000000 ] - [ -0.0003167900000000, -0.0010755400000000, -0.0019420200000000 ] - [ -0.0003167900000000, -0.0010755400000000, 0.0019420200000000 ] - [ -0.0042395300000000, 0.0037918900000000, -0.0006661700000000 ] - [ 0.0013564800000000, -0.0009781400000000, 0.0031763100000000 ] - [ -0.0011203100000000, -0.0007174400000000, -0.0007901600000000 ] - [ -0.0011203100000000, -0.0007174400000000, 0.0007901600000000 ] - [ 0.0013564800000000, -0.0009781400000000, -0.0031763100000000 ] - [ 0.0036057800000000, 0.0007512400000000, 0.0003388400000000 ] - [ -0.0010293400000000, 0.0000811000000000, 0.0000657000000000 ] - [ -0.0010293400000000, 0.0000811000000000, -0.0000657000000000 ] - [ 0.0036057800000000, 0.0007512400000000, -0.0003388400000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000085500000000, 0.0002342400000000, -0.0004329600000000 ] - [ -0.0007505700000000, -0.0003466700000000, -0.0004544000000000 ] - [ -0.0007505700000000, -0.0003466700000000, 0.0004544000000000 ] - [ 0.0000085500000000, 0.0002342400000000, 0.0004329600000000 ] - [ 0.0005929900000000, -0.0003666300000000, -0.0002867800000000 ] - [ -0.0010148400000000, -0.0001226200000000, -0.0000202700000000 ] - [ -0.0010148400000000, -0.0001226200000000, 0.0000202700000000 ] - [ 0.0005929900000000, -0.0003666300000000, 0.0002867800000000 ] - [ -0.0003134700000000, -0.0000052600000000, -0.0021812900000000 ] - [ 0.0010822700000000, -0.0001437000000000, -0.0005484500000000 ] - [ 0.0010822700000000, -0.0001437000000000, 0.0005484500000000 ] - [ -0.0003134700000000, -0.0000052600000000, 0.0021812900000000 ] - [ 0.0033148600000000, 0.0050794600000000, -0.0020860000000000 ] - [ -0.0003623500000000, 0.0001273500000000, -0.0004465200000000 ] - [ -0.0003623500000000, 0.0001273500000000, 0.0004465200000000 ] - [ 0.0033148600000000, 0.0050794600000000, 0.0020860000000000 ] - [ -0.0000691100000000, -0.0000089700000000, 0.0000000000000000 ] - [ 0.0004596900000000, 0.0004301300000000, 0.0000000000000000 ] - [ 0.0001113300000000, -0.0003694100000000, 0.0004051500000000 ] - [ 0.0002561500000000, 0.0003843600000000, 0.0001840200000000 ] - [ 0.0002561500000000, 0.0003843600000000, -0.0001840200000000 ] - [ 0.0001113300000000, -0.0003694100000000, -0.0004051500000000 ] - [ -0.0035099700000000, 0.0014843000000000, 0.0009682700000000 ] - [ 0.0005186700000000, -0.0001982200000000, -0.0004849000000000 ] - [ 0.0005186700000000, -0.0001982200000000, 0.0004849000000000 ] - [ -0.0035099700000000, 0.0014843000000000, -0.0009682700000000 ] - [ 0.0011982000000000, 0.0003252300000000, -0.0009428300000000 ] - [ -0.0011310200000000, -0.0001612700000000, -0.0004469500000000 ] - [ -0.0011310200000000, -0.0001612700000000, 0.0004469500000000 ] - [ 0.0011982000000000, 0.0003252300000000, 0.0009428300000000 ] - [ -0.0000859100000000, 0.0018037300000000, -0.0001526700000000 ] - [ 0.0001209200000000, -0.0003440300000000, -0.0038810900000000 ] - [ 0.0001209200000000, -0.0003440300000000, 0.0038810900000000 ] - [ -0.0000859100000000, 0.0018037300000000, 0.0001526700000000 ] - [ 0.0016737900000000, -0.0001469500000000, 0.0002709600000000 ] - [ -0.0007606700000000, -0.0002189600000000, -0.0004625000000000 ] - [ -0.0007606700000000, -0.0002189600000000, 0.0004625000000000 ] - [ 0.0016737900000000, -0.0001469500000000, -0.0002709600000000 ] - [ 0.0000597100000000, -0.0001234600000000, 0.0000000000000000 ] - [ 0.0074245100000000, 0.0057232800000000, 0.0000000000000000 ] - [ -0.0033335700000000, 0.0053505400000000, 0.0025149600000000 ] - [ 0.0006721500000000, -0.0000855400000000, 0.0006114800000000 ] - [ 0.0006721500000000, -0.0000855400000000, -0.0006114800000000 ] - [ -0.0033335700000000, 0.0053505400000000, -0.0025149600000000 ] - [ -0.0072832700000000, -0.0194243800000000, 0.0000000000000000 ] - [ 0.0003198800000000, -0.0003176900000000, 0.0000000000000000 ] - [ 0.0000825400000000, -0.0002654900000000, 0.0000000000000000 ] - [ -0.0001263100000000, -0.0004051700000000, 0.0000000000000000 ] - [ 0.0001480700000000, 0.0005864600000000, 0.0000000000000000 ] - [ 0.0001156500000000, -0.0004662400000000, 0.0000000000000000 ] - [ 0.0002331800000000, 0.0017108900000000, 0.0000000000000000 ] - [ -0.0004199900000000, -0.0001372200000000, 0.0000000000000000 ] - [ -0.0008431400000000, 0.0007709100000000, -0.0003470500000000 ] - [ 0.0000701400000000, -0.0004870500000000, -0.0015790700000000 ] - [ 0.0000701400000000, -0.0004870500000000, 0.0015790700000000 ] - [ -0.0008431400000000, 0.0007709100000000, 0.0003470500000000 ] - [ 0.0012396100000000, -0.0021100700000000, 0.0002719300000000 ] - [ -0.0000424200000000, -0.0005979600000000, -0.0008768200000000 ] - [ -0.0000424200000000, -0.0005979600000000, 0.0008768200000000 ] - [ 0.0012396100000000, -0.0021100700000000, -0.0002719300000000 ] - [ -0.0005860600000000, 0.0003330800000000, 0.0029763300000000 ] - [ -0.0003359600000000, 0.0000436900000000, -0.0003546800000000 ] - [ -0.0003359600000000, 0.0000436900000000, 0.0003546800000000 ] - [ -0.0005860600000000, 0.0003330800000000, -0.0029763300000000 ] - [ 0.0033204300000000, -0.0049260600000000, -0.0046706200000000 ] - [ -0.0008162200000000, -0.0009222300000000, 0.0001171500000000 ] - [ -0.0008162200000000, -0.0009222300000000, -0.0001171500000000 ] - [ 0.0033204300000000, -0.0049260600000000, 0.0046706200000000 ] - [ -0.0006192100000000, 0.0022306900000000, -0.0015980700000000 ] - [ 0.0006510400000000, 0.0008063300000000, -0.0000326800000000 ] - [ 0.0006510400000000, 0.0008063300000000, 0.0000326800000000 ] - [ -0.0006192100000000, 0.0022306900000000, 0.0015980700000000 ] - [ -0.0015759000000000, -0.0005458400000000, -0.0003943200000000 ] - [ 0.0007778900000000, -0.0005265000000000, -0.0005766800000000 ] - [ 0.0007778900000000, -0.0005265000000000, 0.0005766800000000 ] - [ -0.0015759000000000, -0.0005458400000000, 0.0003943200000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000206800000000, 0.0002207600000000, -0.0004728300000000 ] - [ 0.0007482300000000, -0.0001101200000000, -0.0004486300000000 ] - [ 0.0007482300000000, -0.0001101200000000, 0.0004486300000000 ] - [ -0.0000206800000000, 0.0002207600000000, 0.0004728300000000 ] - [ 0.0012310700000000, 0.0008248100000000, -0.0012013700000000 ] - [ -0.0008129900000000, -0.0003452000000000, -0.0014249200000000 ] - [ -0.0008129900000000, -0.0003452000000000, 0.0014249200000000 ] - [ 0.0012310700000000, 0.0008248100000000, 0.0012013700000000 ] - [ -0.0015100200000000, 0.0004721900000000, 0.0007127500000000 ] - [ 0.0007430800000000, -0.0003253000000000, -0.0009091500000000 ] - [ 0.0007430800000000, -0.0003253000000000, 0.0009091500000000 ] - [ -0.0015100200000000, 0.0004721900000000, -0.0007127500000000 ] - [ -0.0022876900000000, -0.0051163500000000, 0.0010886100000000 ] - [ -0.0006539100000000, -0.0000638500000000, -0.0005493900000000 ] - [ -0.0006539100000000, -0.0000638500000000, 0.0005493900000000 ] - [ -0.0022876900000000, -0.0051163500000000, -0.0010886100000000 ] - [ 0.0000690700000000, -0.0001723800000000, 0.0000000000000000 ] - [ -0.0004578100000000, -0.0002506100000000, 0.0000000000000000 ] - [ -0.0011255300000000, 0.0003032300000000, 0.0005906100000000 ] - [ 0.0007578500000000, -0.0003178700000000, 0.0008100600000000 ] - [ 0.0007578500000000, -0.0003178700000000, -0.0008100600000000 ] - [ -0.0011255300000000, 0.0003032300000000, -0.0005906100000000 ] - [ 0.0034734200000000, -0.0010245000000000, -0.0018555700000000 ] - [ -0.0005154900000000, -0.0002568100000000, -0.0004186700000000 ] - [ -0.0005154900000000, -0.0002568100000000, 0.0004186700000000 ] - [ 0.0034734200000000, -0.0010245000000000, 0.0018555700000000 ] - [ 0.0006270700000000, 0.0001461500000000, -0.0005191600000000 ] - [ -0.0006971600000000, -0.0003086600000000, -0.0010146700000000 ] - [ -0.0006971600000000, -0.0003086600000000, 0.0010146700000000 ] - [ 0.0006270700000000, 0.0001461500000000, 0.0005191600000000 ] - [ -0.0017250800000000, -0.0013064700000000, -0.0013084200000000 ] - [ 0.0016940200000000, -0.0001376700000000, 0.0023641100000000 ] - [ 0.0016940200000000, -0.0001376700000000, -0.0023641100000000 ] - [ -0.0017250800000000, -0.0013064700000000, 0.0013084200000000 ] - [ -0.0006553600000000, 0.0000759900000000, -0.0012658600000000 ] - [ -0.0002563200000000, 0.0002826000000000, -0.0005329300000000 ] - [ -0.0002563200000000, 0.0002826000000000, 0.0005329300000000 ] - [ -0.0006553600000000, 0.0000759900000000, 0.0012658600000000 ] - [ -0.0000595500000000, -0.0000600700000000, 0.0000000000000000 ] - [ -0.0075616600000000, -0.0056477600000000, 0.0000000000000000 ] - [ 0.0022859900000000, -0.0053981800000000, -0.0015325900000000 ] - [ 0.0003448100000000, 0.0001490500000000, 0.0003840900000000 ] - [ 0.0003448100000000, 0.0001490500000000, -0.0003840900000000 ] - [ 0.0022859900000000, -0.0053981800000000, 0.0015325900000000 ] - [ 0.0070182300000000, 0.0203492500000000, 0.0000000000000000 ] - [ 0.0001776200000000, -0.0004460700000000, 0.0000000000000000 ] - [ 0.0004126400000000, 0.0010355100000000, 0.0000000000000000 ] - [ -0.0003712700000000, -0.0003591200000000, 0.0000000000000000 ] - [ -0.0006462400000000, 0.0001783800000000, 0.0000000000000000 ] - [ 0.0003799800000000, -0.0002994000000000, 0.0000000000000000 ] - [ 0.0002906700000000, -0.0009401100000000, 0.0000000000000000 ] - [ -0.0000777300000000, -0.0006258000000000, 0.0000000000000000 ] - [ 0.0015600300000000, 0.0002166600000000, -0.0006171700000000 ] - [ -0.0007826700000000, -0.0004982800000000, 0.0006048400000000 ] - [ -0.0007826700000000, -0.0004982800000000, -0.0006048400000000 ] - [ 0.0015600300000000, 0.0002166600000000, 0.0006171700000000 ] - [ -0.0019358300000000, 0.0030870300000000, -0.0012397800000000 ] - [ 0.0007575400000000, -0.0003893300000000, -0.0000941300000000 ] - [ 0.0007575400000000, -0.0003893300000000, 0.0000941300000000 ] - [ -0.0019358300000000, 0.0030870300000000, 0.0012397800000000 ] - [ 0.0005089300000000, -0.0002194900000000, -0.0036683500000000 ] - [ 0.0003359400000000, -0.0002377900000000, -0.0003994100000000 ] - [ 0.0003359400000000, -0.0002377900000000, 0.0003994100000000 ] - [ 0.0005089300000000, -0.0002194900000000, 0.0036683500000000 ] - [ -0.0025784600000000, 0.0059271600000000, 0.0036818100000000 ] - [ 0.0000930600000000, -0.0000716500000000, -0.0010835500000000 ] - [ 0.0000930600000000, -0.0000716500000000, 0.0010835500000000 ] - [ -0.0025784600000000, 0.0059271600000000, -0.0036818100000000 ] - [ -0.0000529000000000, -0.0012584600000000, 0.0006867700000000 ] - [ 0.0000625800000000, -0.0017717200000000, -0.0009378100000000 ] - [ 0.0000625800000000, -0.0017717200000000, 0.0009378100000000 ] - [ -0.0000529000000000, -0.0012584600000000, -0.0006867700000000 ] - [ 0.0015712100000000, 0.0007470300000000, -0.0003620100000000 ] - [ -0.0007717000000000, 0.0003241400000000, -0.0001750800000000 ] - [ -0.0007717000000000, 0.0003241400000000, 0.0001750800000000 ] - [ 0.0015712100000000, 0.0007470300000000, 0.0003620100000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0026755500000000, 0.0002513900000000, -0.0006932300000000 ] - [ 0.0006430300000000, -0.0001928300000000, 0.0001099200000000 ] - [ -0.0006498600000000, -0.0002745900000000, 0.0009967200000000 ] - [ -0.0026562400000000, 0.0002178800000000, 0.0001997200000000 ] - [ 0.0012241500000000, 0.0000849400000000, 0.0038834600000000 ] - [ -0.0014230300000000, -0.0004887100000000, 0.0020656600000000 ] - [ -0.0004024400000000, 0.0000138200000000, 0.0035128800000000 ] - [ 0.0006014500000000, 0.0003961400000000, 0.0052367300000000 ] - [ -0.0022305500000000, 0.0004108300000000, 0.0018181700000000 ] - [ 0.0011337200000000, -0.0000847400000000, -0.0002670100000000 ] - [ 0.0006927400000000, -0.0003961100000000, 0.0011658800000000 ] - [ 0.0004027700000000, 0.0000720100000000, 0.0032565300000000 ] - [ -0.0049029900000000, -0.0090426100000000, 0.0009109200000000 ] - [ -0.0000753800000000, 0.0006095500000000, -0.0000532700000000 ] - [ -0.0009472400000000, -0.0005324500000000, 0.0009481600000000 ] - [ 0.0059043800000000, 0.0089177200000000, 0.0019083100000000 ] - [ -0.0000002500000000, -0.0000913400000000, 0.0027255000000000 ] - [ -0.0000058400000000, 0.0000896100000000, -0.0028759200000000 ] - [ 0.0001472600000000, -0.0006318900000000, 0.0000362200000000 ] - [ 0.0009736600000000, -0.0009678100000000, 0.0013531800000000 ] - [ 0.0000482200000000, 0.0010428600000000, 0.0003516500000000 ] - [ -0.0011781700000000, 0.0005646600000000, -0.0009707600000000 ] - [ -0.0025973800000000, 0.0009145500000000, 0.0001488500000000 ] - [ -0.0006325700000000, -0.0001995400000000, 0.0000616200000000 ] - [ 0.0006358300000000, -0.0002682000000000, 0.0009495800000000 ] - [ 0.0025812200000000, -0.0004385000000000, 0.0010428400000000 ] - [ 0.0004318800000000, 0.0002361900000000, -0.0002294600000000 ] - [ -0.0005433800000000, -0.0001032600000000, 0.0007624100000000 ] - [ -0.0012838400000000, -0.0003793900000000, 0.0021992400000000 ] - [ 0.0013934200000000, 0.0002444300000000, 0.0012143100000000 ] - [ 0.0004431100000000, -0.0006655900000000, 0.0019348600000000 ] - [ 0.0012352100000000, 0.0001253000000000, 0.0032528900000000 ] - [ 0.0005874300000000, -0.0006099500000000, 0.0047097600000000 ] - [ -0.0022646600000000, 0.0011373000000000, 0.0033650300000000 ] - [ 0.0029293700000000, 0.0018092500000000, -0.0005562800000000 ] - [ 0.0002811700000000, 0.0012820700000000, 0.0004202100000000 ] - [ -0.0013063200000000, -0.0012096100000000, 0.0014222000000000 ] - [ -0.0018972700000000, -0.0018757000000000, 0.0004516500000000 ] - [ 0.0000003700000000, -0.0000919100000000, 0.0021219200000000 ] - [ 0.0000460900000000, 0.0001259100000000, -0.0076822800000000 ] - [ -0.0001884500000000, 0.0003793200000000, 0.0000173500000000 ] - [ 0.0014096800000000, -0.0010148800000000, 0.0012834400000000 ] - [ -0.0003846700000000, 0.0010898600000000, 0.0002810700000000 ] - [ -0.0008511000000000, -0.0004478200000000, -0.0009942800000000 ] - [ -0.0001659500000000, 0.0004286300000000, -0.0251359000000000 ] - [ 0.0002488600000000, -0.0003835000000000, 0.0015285400000000 ] - [ 0.0002525400000000, 0.0003887900000000, -0.0042825900000000 ] - [ -0.0002475200000000, -0.0003833800000000, 0.0012673800000000 ] - [ -0.0002484100000000, 0.0003822300000000, -0.0016305600000000 ] - [ 0.0002469100000000, -0.0003836100000000, 0.0014803400000000 ] - [ 0.0002373500000000, 0.0003841300000000, -0.0018019600000000 ] - [ -0.0002481800000000, -0.0003816900000000, 0.0018142000000000 ] - [ 0.0007985500000000, -0.0000707500000000, -0.0000554000000000 ] - [ -0.0009987000000000, -0.0012121500000000, -0.0031969300000000 ] - [ 0.0002963300000000, 0.0002195500000000, -0.0022299300000000 ] - [ -0.0000895600000000, 0.0010574600000000, 0.0008973600000000 ] - [ 0.0021705900000000, 0.0040308800000000, -0.0007861900000000 ] - [ 0.0003088500000000, -0.0008183800000000, -0.0019501100000000 ] - [ 0.0003971300000000, -0.0001762000000000, -0.0009849400000000 ] - [ -0.0028885500000000, -0.0030268300000000, 0.0001598100000000 ] - [ 0.0043825600000000, 0.0073204200000000, 0.0078952000000000 ] - [ 0.0005803500000000, -0.0004924800000000, -0.0031041200000000 ] - [ -0.0005858600000000, 0.0003047500000000, -0.0023552600000000 ] - [ -0.0045309200000000, -0.0071985200000000, 0.0084449800000000 ] - [ 0.0008928400000000, -0.0009702700000000, -0.0027079000000000 ] - [ 0.0004168300000000, -0.0009981600000000, -0.0036904000000000 ] - [ -0.0011272800000000, 0.0000029500000000, -0.0027317500000000 ] - [ -0.0001646400000000, 0.0019993100000000, -0.0018244600000000 ] - [ -0.0038184700000000, 0.0002306800000000, -0.0007561800000000 ] - [ 0.0001845700000000, -0.0019838400000000, -0.0035459300000000 ] - [ 0.0005256100000000, 0.0010010000000000, -0.0025629000000000 ] - [ 0.0031529800000000, 0.0007235400000000, 0.0001207700000000 ] - [ -0.0013527000000000, -0.0011250600000000, 0.0033436500000000 ] - [ -0.0003303200000000, -0.0005301500000000, -0.0041136800000000 ] - [ 0.0003337400000000, 0.0003423400000000, -0.0033658000000000 ] - [ 0.0013703700000000, 0.0013101600000000, 0.0040642900000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1055602500000000, 0.0189742100000000, 0.0148688800000000 ] - [ -0.0003979800000000, -0.0002668900000000, -0.0005223000000000 ] - [ -0.0084300500000000, -0.0010419900000000, -0.0019246000000000 ] - [ 0.0007256200000000, 0.0001281300000000, -0.0007056300000000 ] - [ -0.0051793200000000, 0.0033839800000000, 0.0014977900000000 ] - [ -0.0012451800000000, -0.0002715000000000, -0.0015030400000000 ] - [ -0.0079424500000000, 0.0004106700000000, 0.0144223500000000 ] - [ 0.0000277300000000, 0.0001393300000000, 0.0008846800000000 ] - [ -0.0068466900000000, -0.0132563800000000, -0.0139425000000000 ] - [ 0.0013986400000000, -0.0003026900000000, -0.0010779900000000 ] - [ 0.0278371400000000, -0.0007740600000000, -0.0102228300000000 ] - [ -0.0002875100000000, 0.0002697000000000, 0.0012107400000000 ] - [ -0.0083078100000000, 0.0014878400000000, 0.0034652900000000 ] - [ -0.0000196400000000, 0.0003251300000000, -0.0004433000000000 ] - [ 0.0020997000000000, 0.0017305600000000, -0.0001912100000000 ] - [ 0.0013837000000000, 0.0005776200000000, 0.0010614300000000 ] - [ -0.0005254700000000, -0.0000155900000000, -0.0014993400000000 ] - [ 0.0002068300000000, 0.0035161200000000, -0.0075562300000000 ] - [ 0.0016655600000000, -0.0016262200000000, -0.0004557000000000 ] - [ -0.0012618400000000, 0.0035392800000000, -0.0029120500000000 ] - [ 0.0006834900000000, 0.0000364100000000, -0.0005309900000000 ] - [ 0.0261504500000000, -0.0144936100000000, -0.0012718700000000 ] - [ -0.0091860300000000, 0.0006603900000000, 0.0007424200000000 ] - [ 0.0003741700000000, -0.0002061500000000, -0.0004539100000000 ] - [ 0.0061835700000000, -0.0006812200000000, 0.0018877000000000 ] - [ -0.0009978600000000, 0.0001689800000000, 0.0009581400000000 ] - [ 0.0182130200000000, 0.0060383000000000, -0.0083377100000000 ] - [ -0.0006719000000000, -0.0002050000000000, -0.0000875200000000 ] - [ 0.0025146100000000, -0.0060492800000000, -0.0049049500000000 ] - [ 0.0019122200000000, 0.0002564300000000, 0.0004006100000000 ] - [ -0.0075044900000000, -0.0061938900000000, 0.0049991300000000 ] - [ 0.0004436400000000, -0.0001526600000000, -0.0006965700000000 ] - [ -0.0017034600000000, -0.0006229700000000, 0.0006809400000000 ] - [ -0.0015804500000000, 0.0001491500000000, 0.0001611200000000 ] - [ -0.0045186900000000, 0.0116694700000000, -0.0015677300000000 ] - [ -0.0010916400000000, -0.0003676500000000, -0.0006781400000000 ] - [ -0.0037285000000000, -0.0015178400000000, 0.0010979500000000 ] - [ -0.0006115900000000, -0.0005865800000000, -0.0004714300000000 ] - [ 0.0002923100000000, -0.0001656100000000, 0.0008891200000000 ] - [ -0.0017731400000000, 0.0001045100000000, 0.0049649200000000 ] - [ -0.0028075600000000, 0.0021457400000000, 0.0014406200000000 ] - [ 0.0022423400000000, -0.0030748800000000, 0.0024637400000000 ] - [ 0.0004239200000000, -0.0000793600000000, -0.0005760000000000 ] - [ -0.0106736900000000, 0.0033248600000000, -0.0021145600000000 ] - [ -0.0037820500000000, -0.0008254000000000, 0.0004537200000000 ] - [ 0.0003897600000000, 0.0000404400000000, 0.0006551800000000 ] - [ -0.0014532200000000, 0.0006625200000000, 0.0035050400000000 ] - [ 0.0012366500000000, -0.0006723700000000, -0.0001608400000000 ] - [ 0.0043661700000000, 0.0033283400000000, 0.0005239100000000 ] - [ 0.0002181700000000, -0.0008389600000000, -0.0007707700000000 ] - [ -0.0007843700000000, -0.0011956200000000, -0.0025437800000000 ] - [ -0.0014880000000000, 0.0000185000000000, -0.0000463400000000 ] - [ -0.2151325600000000, 0.0044479700000000, 0.0016242400000000 ] - [ -0.0009070100000000, -0.0007354200000000, -0.0004623100000000 ] - [ -0.0030106300000000, 0.0011314400000000, 0.0290780900000000 ] - [ -0.0036282500000000, 0.0010309000000000, 0.0010355500000000 ] - [ -0.0085516700000000, 0.0039374100000000, -0.0049265300000000 ] - [ -0.0006836600000000, -0.0004523600000000, -0.0001125500000000 ] - [ -0.0118585500000000, 0.0011889400000000, 0.0045455100000000 ] - [ -0.0019890800000000, 0.0010942500000000, -0.0013502200000000 ] - [ 0.0266940400000000, 0.0034108700000000, -0.0086335900000000 ] - [ -0.0008352800000000, 0.0000871100000000, -0.0008491600000000 ] - [ -0.0053771500000000, -0.0006875100000000, -0.0047233700000000 ] - [ 0.0034318700000000, -0.0010317000000000, -0.0046119900000000 ] - [ 0.0154094400000000, -0.0019549100000000, 0.0023509400000000 ] - [ 0.0001834900000000, -0.0001747200000000, -0.0001856500000000 ] - [ 0.0014032800000000, 0.0060916700000000, -0.0090418800000000 ] - [ 0.0032984700000000, -0.0004406500000000, 0.0007586700000000 ] - [ 0.0707902200000000, -0.0050164200000000, -0.0155295000000000 ] - [ 0.0014574300000000, -0.0004222900000000, -0.0005169900000000 ] - [ 0.0116503600000000, -0.0025223100000000, -0.0032992700000000 ] - [ 0.0021858200000000, 0.0009062800000000, 0.0026272300000000 ] - [ -0.0008470900000000, -0.0147517900000000, 0.0063114600000000 ] - [ 0.0007635800000000, -0.0003157300000000, 0.0005818500000000 ] - [ 0.0066307600000000, -0.0010787600000000, 0.0034057900000000 ] - [ -0.0028268800000000, -0.0013445500000000, 0.0068580600000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1148753600000000, -0.0203425800000000, -0.0174535300000000 ] - [ 0.0003988100000000, -0.0001891100000000, -0.0003797300000000 ] - [ 0.0084221300000000, 0.0005796500000000, 0.0028115700000000 ] - [ -0.0007258900000000, 0.0003264600000000, 0.0016102600000000 ] - [ 0.0069487600000000, -0.0028835100000000, -0.0029521300000000 ] - [ -0.0005840000000000, -0.0001985200000000, 0.0000474800000000 ] - [ 0.0061619500000000, -0.0008623900000000, -0.0128998400000000 ] - [ 0.0017898900000000, 0.0003295000000000, 0.0005847200000000 ] - [ 0.0051430300000000, 0.0136266300000000, 0.0123647900000000 ] - [ 0.0004304600000000, -0.0001673900000000, -0.0003771400000000 ] - [ -0.0259762400000000, 0.0002228500000000, 0.0113322600000000 ] - [ -0.0015304300000000, 0.0001989100000000, 0.0002616900000000 ] - [ 0.0092865100000000, -0.0015196400000000, -0.0043929000000000 ] - [ -0.0009888400000000, -0.0002547300000000, -0.0005471600000000 ] - [ -0.0031524300000000, -0.0017338600000000, 0.0012236900000000 ] - [ -0.0003537200000000, -0.0006289500000000, -0.0000558600000000 ] - [ 0.0005236600000000, -0.0001665100000000, 0.0014852600000000 ] - [ -0.0002214700000000, -0.0033644800000000, 0.0075138100000000 ] - [ -0.0026711400000000, 0.0015536600000000, 0.0014476100000000 ] - [ 0.0022817800000000, -0.0034495100000000, 0.0038676900000000 ] - [ 0.0003362600000000, 0.0000271900000000, -0.0004643900000000 ] - [ -0.0272181100000000, 0.0146689800000000, 0.0002587700000000 ] - [ 0.0091579000000000, -0.0001940400000000, -0.0016412500000000 ] - [ -0.0003746000000000, -0.0002485700000000, -0.0004460700000000 ] - [ -0.0062562300000000, 0.0002241100000000, -0.0009838500000000 ] - [ 0.0009962800000000, 0.0002866900000000, -0.0000478000000000 ] - [ -0.0163169100000000, -0.0056103200000000, 0.0069015000000000 ] - [ -0.0011493400000000, -0.0002632100000000, -0.0013621600000000 ] - [ -0.0042777800000000, 0.0055140300000000, 0.0062888500000000 ] - [ -0.0000806700000000, 0.0002135000000000, 0.0010654800000000 ] - [ 0.0056875700000000, 0.0066550400000000, -0.0064680600000000 ] - [ 0.0013775500000000, -0.0003156400000000, -0.0007554500000000 ] - [ 0.0035107900000000, 0.0001561200000000, 0.0007630800000000 ] - [ -0.0002506000000000, 0.0003210600000000, 0.0013044900000000 ] - [ 0.0055529400000000, -0.0117814600000000, 0.0005925600000000 ] - [ 0.0000729200000000, 0.0004321200000000, -0.0003162000000000 ] - [ 0.0027014600000000, 0.0015815400000000, -0.0001070400000000 ] - [ 0.0016144500000000, 0.0005127000000000, 0.0014614700000000 ] - [ -0.0002949100000000, -0.0000102200000000, -0.0008514600000000 ] - [ 0.0017565200000000, 0.0000719100000000, -0.0048936800000000 ] - [ 0.0017726800000000, -0.0021911500000000, -0.0004322200000000 ] - [ -0.0012519100000000, 0.0031572700000000, -0.0014769800000000 ] - [ 0.0005829000000000, 0.0001515700000000, -0.0004150000000000 ] - [ 0.0095753000000000, -0.0033553800000000, 0.0011074600000000 ] - [ 0.0032563900000000, 0.0015778000000000, -0.0004343800000000 ] - [ 0.0000938400000000, -0.0008118000000000, -0.0006412700000000 ] - [ 0.0019578100000000, 0.0000946800000000, -0.0034678900000000 ] - [ -0.0017263100000000, -0.0000838100000000, 0.0001795900000000 ] - [ -0.0048531700000000, -0.0025701300000000, -0.0005327000000000 ] - [ 0.0002922900000000, 0.0000702000000000, 0.0007733800000000 ] - [ 0.0012554300000000, 0.0019798800000000, 0.0025171400000000 ] - [ 0.0009842500000000, -0.0007812500000000, 0.0000417400000000 ] - [ 0.2253587000000000, -0.0018045900000000, -0.0004290400000000 ] - [ 0.0001805000000000, -0.0002529600000000, -0.0005191300000000 ] - [ 0.0021270300000000, -0.0021264500000000, -0.0277959900000000 ] - [ 0.0043242900000000, -0.0000456500000000, -0.0000661100000000 ] - [ 0.0075706600000000, -0.0029376000000000, 0.0039579400000000 ] - [ 0.0013889300000000, -0.0005356100000000, -0.0008688300000000 ] - [ 0.0125636300000000, -0.0019607700000000, -0.0037920900000000 ] - [ 0.0012500700000000, -0.0001086100000000, 0.0023007800000000 ] - [ -0.0263408000000000, -0.0031214800000000, 0.0077416000000000 ] - [ 0.0008395700000000, -0.0002836200000000, 0.0000655900000000 ] - [ 0.0054687500000000, 0.0004591100000000, 0.0054278400000000 ] - [ -0.0034186900000000, 0.0012306200000000, 0.0052987500000000 ] - [ -0.0145911300000000, 0.0028964600000000, -0.0032863500000000 ] - [ -0.0008879700000000, -0.0008144400000000, -0.0007927900000000 ] - [ -0.0020755600000000, -0.0070977900000000, 0.0100552400000000 ] - [ -0.0025602100000000, 0.0014174000000000, 0.0001978900000000 ] - [ -0.0720430900000000, 0.0058915300000000, 0.0143737700000000 ] - [ -0.0007327300000000, -0.0005666400000000, -0.0004610300000000 ] - [ -0.0108792800000000, 0.0015335000000000, 0.0042740200000000 ] - [ -0.0028868100000000, 0.0000810000000000, -0.0016625500000000 ] - [ 0.0010787100000000, 0.0150664800000000, -0.0070104900000000 ] - [ -0.0007663100000000, 0.0001135500000000, -0.0013313800000000 ] - [ -0.0065976400000000, 0.0008654500000000, -0.0026130400000000 ] - [ 0.0028369300000000, 0.0015451200000000, -0.0060748300000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0126881400000000, 0.0175049700000000, 0.0043121400000000 ] - [ 0.0002091300000000, -0.0002433900000000, -0.0002517600000000 ] - [ -0.0017470400000000, -0.0007881200000000, -0.0007402400000000 ] - [ -0.0003002900000000, 0.0005180500000000, 0.0007193700000000 ] - [ 0.0002507100000000, 0.0015030500000000, -0.0005593600000000 ] - [ -0.0010095800000000, -0.0000993300000000, 0.0004442100000000 ] - [ -0.0016356900000000, 0.0010729100000000, 0.0012439400000000 ] - [ 0.0010670700000000, 0.0003300400000000, 0.0016255400000000 ] - [ -0.0082606700000000, -0.0039481400000000, -0.0066890800000000 ] - [ 0.0009038700000000, -0.0001623500000000, 0.0002255800000000 ] - [ -0.0013678200000000, 0.0287654700000000, 0.0154446400000000 ] - [ -0.0009582600000000, 0.0000170100000000, 0.0012959500000000 ] - [ 0.0053770700000000, -0.0011536600000000, -0.0036462700000000 ] - [ -0.0002270100000000, 0.0005339900000000, -0.0000514800000000 ] - [ -0.0020154600000000, -0.0062444800000000, 0.0025555000000000 ] - [ 0.0006850600000000, 0.0003903100000000, 0.0005356200000000 ] - [ 0.0000548300000000, -0.0000582800000000, 0.0006151400000000 ] - [ 0.0028662400000000, -0.0039599300000000, 0.0113295000000000 ] - [ -0.0017759300000000, 0.0008262800000000, 0.0015729100000000 ] - [ 0.0012269100000000, 0.0019140100000000, 0.0003272800000000 ] - [ 0.0004425000000000, 0.0002258100000000, -0.0002910500000000 ] - [ 0.0004117200000000, 0.0389688200000000, 0.0099554600000000 ] - [ 0.0010476300000000, -0.0012946600000000, -0.0001121700000000 ] - [ -0.0002110900000000, -0.0002148100000000, -0.0001028100000000 ] - [ -0.0073013600000000, 0.0006125400000000, 0.0030372100000000 ] - [ 0.0005238800000000, 0.0002061800000000, 0.0005828400000000 ] - [ 0.0096166800000000, 0.0026470600000000, 0.0126356300000000 ] - [ -0.0008754200000000, -0.0001374500000000, -0.0003139800000000 ] - [ 0.0045305000000000, -0.0081075300000000, 0.0017712600000000 ] - [ 0.0005664800000000, 0.0003217800000000, 0.0016378300000000 ] - [ -0.0010309800000000, -0.0006429200000000, -0.0046375300000000 ] - [ 0.0009499200000000, -0.0002035300000000, 0.0000848900000000 ] - [ 0.0006501100000000, -0.0005198400000000, -0.0001229100000000 ] - [ -0.0007400900000000, 0.0002809500000000, 0.0017152900000000 ] - [ 0.0115498200000000, 0.0085008700000000, -0.0018847000000000 ] - [ -0.0002589100000000, 0.0004295700000000, -0.0001986900000000 ] - [ -0.0007665800000000, 0.0004041200000000, 0.0004768300000000 ] - [ 0.0012253800000000, -0.0001342500000000, 0.0018906800000000 ] - [ -0.0002965600000000, -0.0001442900000000, 0.0012477500000000 ] - [ 0.0004476400000000, 0.0011859300000000, -0.0019033200000000 ] - [ -0.0005087400000000, 0.0005827800000000, 0.0006863600000000 ] - [ -0.0001101800000000, -0.0000971500000000, -0.0002047800000000 ] - [ -0.0000098800000000, 0.0007502900000000, 0.0000194200000000 ] - [ 0.0005303000000000, -0.0003980100000000, -0.0010425700000000 ] - [ 0.0000474400000000, 0.0006608400000000, -0.0005657600000000 ] - [ -0.0001172700000000, -0.0003796900000000, 0.0007228900000000 ] - [ -0.0012218500000000, 0.0021393200000000, -0.0002529700000000 ] - [ -0.0004628500000000, 0.0008995400000000, 0.0014929000000000 ] - [ -0.0035258000000000, -0.0050492100000000, -0.0014594300000000 ] - [ 0.0008297100000000, -0.0008061300000000, 0.0005002300000000 ] - [ 0.0036767800000000, -0.0022177500000000, 0.0035158500000000 ] - [ -0.0002906200000000, -0.0004867000000000, 0.0003235200000000 ] - [ 0.0041912900000000, -0.1430591700000000, -0.0015931500000000 ] - [ -0.0005931100000000, -0.0006358000000000, -0.0015288400000000 ] - [ 0.0012474700000000, 0.0021940200000000, 0.0166090800000000 ] - [ 0.0008895400000000, -0.0015153800000000, -0.0008521700000000 ] - [ -0.0036822200000000, 0.0415902800000000, 0.0034090700000000 ] - [ 0.0003107200000000, -0.0008193700000000, -0.0019549400000000 ] - [ -0.0012243200000000, -0.0035584800000000, -0.0509958600000000 ] - [ -0.0009442800000000, 0.0010775200000000, 0.0003182800000000 ] - [ -0.0033202000000000, -0.0095914800000000, 0.0029386300000000 ] - [ 0.0005679700000000, -0.0006143900000000, -0.0024594600000000 ] - [ 0.0022138300000000, 0.0000770800000000, 0.0032606600000000 ] - [ 0.0008349000000000, -0.0017807200000000, 0.0001379800000000 ] - [ -0.0020582900000000, 0.0024567000000000, 0.0013647800000000 ] - [ -0.0000346600000000, -0.0009583100000000, -0.0018556200000000 ] - [ 0.0062200300000000, 0.0013185900000000, 0.0021170900000000 ] - [ -0.0005752800000000, -0.0000211500000000, -0.0006281600000000 ] - [ 0.0051992200000000, -0.0095767600000000, -0.0019971800000000 ] - [ 0.0002828800000000, -0.0007606600000000, -0.0016902000000000 ] - [ 0.0023949300000000, -0.0012942200000000, 0.0004895800000000 ] - [ -0.0007695400000000, -0.0001035800000000, -0.0011928000000000 ] - [ -0.0396638000000000, 0.0458921300000000, -0.0161576900000000 ] - [ -0.0003014600000000, -0.0003140100000000, -0.0012946100000000 ] - [ -0.0005609500000000, -0.0000949900000000, -0.0005106300000000 ] - [ 0.0040257200000000, 0.0053912300000000, -0.0054471300000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0126537100000000, -0.0167459900000000, -0.0050998500000000 ] - [ -0.0002129000000000, -0.0002182700000000, -0.0006427200000000 ] - [ 0.0017502500000000, 0.0003264500000000, 0.0016334900000000 ] - [ 0.0003080100000000, -0.0000575300000000, 0.0001750800000000 ] - [ 0.0015436900000000, -0.0009947400000000, -0.0008728900000000 ] - [ -0.0008151200000000, -0.0003753500000000, -0.0018896300000000 ] - [ -0.0002070800000000, -0.0015481400000000, 0.0002745500000000 ] - [ 0.0007591900000000, 0.0001444500000000, -0.0001747100000000 ] - [ 0.0064477000000000, 0.0045670000000000, 0.0052217000000000 ] - [ 0.0009240400000000, -0.0003128700000000, -0.0016644900000000 ] - [ 0.0032459300000000, -0.0294641200000000, -0.0145399200000000 ] - [ -0.0008717000000000, 0.0004605500000000, 0.0001606600000000 ] - [ -0.0044211700000000, 0.0009964000000000, 0.0026800700000000 ] - [ -0.0007876600000000, -0.0004590200000000, -0.0009435000000000 ] - [ 0.0009837400000000, 0.0062831300000000, -0.0015713600000000 ] - [ 0.0003274400000000, -0.0004650600000000, 0.0004657700000000 ] - [ -0.0000560100000000, -0.0001268400000000, -0.0006068500000000 ] - [ -0.0028162400000000, 0.0040822000000000, -0.0112941500000000 ] - [ 0.0007576200000000, -0.0008943600000000, -0.0005726600000000 ] - [ -0.0001982100000000, -0.0018483100000000, 0.0006718600000000 ] - [ 0.0005736100000000, -0.0001523900000000, -0.0007059700000000 ] - [ -0.0027276000000000, -0.0341101200000000, -0.0111190800000000 ] - [ -0.0010830400000000, 0.0017486800000000, -0.0007976200000000 ] - [ 0.0002149300000000, -0.0002465000000000, -0.0007910900000000 ] - [ 0.0073544200000000, -0.0010982700000000, -0.0021490700000000 ] - [ -0.0005323200000000, 0.0002565600000000, 0.0003127000000000 ] - [ -0.0079457800000000, -0.0039835500000000, -0.0135828800000000 ] - [ -0.0009523900000000, -0.0003377700000000, -0.0011274600000000 ] - [ -0.0063681100000000, 0.0076775200000000, -0.0003480100000000 ] - [ 0.0012578300000000, 0.0001524400000000, -0.0001772100000000 ] - [ -0.0008094700000000, 0.0010812900000000, 0.0032129100000000 ] - [ 0.0008765100000000, -0.0002710400000000, -0.0015332000000000 ] - [ 0.0011719100000000, 0.0000497900000000, 0.0015698000000000 ] - [ -0.0010819600000000, 0.0001931400000000, -0.0002572200000000 ] - [ -0.0104377800000000, -0.0085381300000000, 0.0008873700000000 ] - [ -0.0007604400000000, -0.0003595600000000, -0.0007986900000000 ] - [ -0.0002610500000000, -0.0003444600000000, 0.0005270700000000 ] - [ -0.0001923200000000, 0.0000823600000000, -0.0008844100000000 ] - [ 0.0003013200000000, -0.0000300300000000, -0.0012266800000000 ] - [ -0.0004542300000000, -0.0010038200000000, 0.0019071700000000 ] - [ -0.0005118000000000, -0.0006520000000000, 0.0003139900000000 ] - [ 0.0011364600000000, 0.0001698600000000, 0.0012007000000000 ] - [ 0.0010279100000000, -0.0006788700000000, -0.0010161500000000 ] - [ -0.0015851000000000, 0.0003233400000000, 0.0000375700000000 ] - [ -0.0005555200000000, 0.0001028300000000, 0.0005596800000000 ] - [ 0.0006114100000000, -0.0003889700000000, -0.0007103900000000 ] - [ 0.0017261100000000, -0.0013511800000000, 0.0002386600000000 ] - [ -0.0000272800000000, -0.0016791400000000, -0.0014912300000000 ] - [ 0.0030422800000000, 0.0058031500000000, 0.0015126600000000 ] - [ -0.0003416600000000, 0.0000442100000000, -0.0005006700000000 ] - [ -0.0031849400000000, 0.0029783500000000, -0.0035411300000000 ] - [ -0.0002077600000000, -0.0002776600000000, -0.0003184100000000 ] - [ -0.0021356900000000, 0.1404914100000000, 0.0003031600000000 ] - [ -0.0001149700000000, -0.0003560400000000, 0.0005544300000000 ] - [ -0.0020135400000000, -0.0032737800000000, -0.0155607600000000 ] - [ -0.0001830300000000, 0.0025166400000000, 0.0018049200000000 ] - [ 0.0031889400000000, -0.0406402500000000, -0.0043663000000000 ] - [ 0.0003979000000000, -0.0001745100000000, 0.0009781700000000 ] - [ 0.0019303900000000, 0.0026947100000000, 0.0524044700000000 ] - [ 0.0002538500000000, -0.0000969000000000, 0.0006304400000000 ] - [ 0.0033685900000000, 0.0098135200000000, -0.0037002200000000 ] - [ -0.0005762500000000, 0.0004236600000000, 0.0016914200000000 ] - [ -0.0022309700000000, -0.0003483600000000, -0.0025227800000000 ] - [ -0.0008233700000000, 0.0019837900000000, 0.0006120300000000 ] - [ 0.0027962900000000, -0.0014659300000000, -0.0023054000000000 ] - [ -0.0006788100000000, -0.0000323700000000, 0.0008794900000000 ] - [ -0.0069732400000000, -0.0022808400000000, -0.0011852200000000 ] - [ 0.0012876100000000, 0.0010122800000000, 0.0015948900000000 ] - [ -0.0057131700000000, 0.0104219700000000, 0.0009406800000000 ] - [ 0.0004307100000000, -0.0002305400000000, 0.0007188800000000 ] - [ -0.0016574600000000, 0.0002943700000000, 0.0004576700000000 ] - [ 0.0000511400000000, 0.0010792600000000, 0.0021588200000000 ] - [ 0.0392871600000000, -0.0451731600000000, 0.0153422000000000 ] - [ 0.0003079900000000, 0.0001230100000000, 0.0005353800000000 ] - [ 0.0005773000000000, -0.0000847800000000, 0.0012562100000000 ] - [ -0.0040592900000000, -0.0052068100000000, 0.0061632700000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0044065600000000, 0.0061997100000000, 0.0196858000000000 ] - [ 0.0000718600000000, -0.0002829900000000, -0.0013382600000000 ] - [ -0.0100646700000000, -0.0000886900000000, 0.0018268400000000 ] - [ -0.0011073300000000, 0.0001684900000000, -0.0010510200000000 ] - [ -0.0009534500000000, 0.0014983600000000, 0.0045753600000000 ] - [ -0.0009071300000000, -0.0004528300000000, -0.0038408300000000 ] - [ -0.0007636500000000, -0.0003161100000000, 0.0091398200000000 ] - [ 0.0009180900000000, 0.0000978400000000, -0.0020434000000000 ] - [ -0.0023353100000000, -0.0022952800000000, 0.0144831300000000 ] - [ 0.0007646800000000, -0.0005034900000000, -0.0048216300000000 ] - [ -0.0210513900000000, 0.0231880100000000, 0.1565944100000000 ] - [ -0.0005609000000000, -0.0001390700000000, -0.0028530300000000 ] - [ 0.0023546000000000, -0.0059573500000000, 0.0035907200000000 ] - [ -0.0018394100000000, -0.0017970300000000, -0.0021587000000000 ] - [ 0.0060510000000000, 0.0076214800000000, 0.0002031700000000 ] - [ 0.0008518800000000, -0.0005013100000000, -0.0001852400000000 ] - [ -0.0005889600000000, 0.0002155800000000, -0.0033632800000000 ] - [ -0.0019413100000000, 0.0023025800000000, -0.0014432100000000 ] - [ 0.0001673500000000, -0.0014901700000000, -0.0011028200000000 ] - [ -0.0062973400000000, 0.0039839200000000, -0.0018925900000000 ] - [ 0.0013736100000000, -0.0013738500000000, -0.0017413800000000 ] - [ -0.0061351400000000, 0.0126942900000000, 0.0110799500000000 ] - [ -0.0039992300000000, -0.0010562500000000, 0.0010305000000000 ] - [ -0.0000965800000000, -0.0003508800000000, -0.0015488100000000 ] - [ 0.0122639300000000, 0.0022377400000000, -0.0013052000000000 ] - [ 0.0012042100000000, 0.0003624300000000, -0.0003225000000000 ] - [ -0.0047583100000000, 0.0001576500000000, 0.0275003700000000 ] - [ -0.0007341400000000, -0.0004382200000000, -0.0044304400000000 ] - [ -0.0038574500000000, -0.0005676000000000, 0.0072568100000000 ] - [ 0.0010723400000000, -0.0001593800000000, -0.0032521800000000 ] - [ -0.0027930900000000, -0.0025126700000000, 0.0069105000000000 ] - [ 0.0008745100000000, -0.0004626200000000, -0.0033880800000000 ] - [ 0.0007384000000000, -0.0002769500000000, 0.0044834000000000 ] - [ -0.0014026000000000, 0.0000330700000000, -0.0025249100000000 ] - [ -0.0033730100000000, -0.0003700100000000, 0.0017011400000000 ] - [ -0.0015533000000000, -0.0015734100000000, -0.0017421700000000 ] - [ -0.0022605000000000, -0.0012330700000000, 0.0013249500000000 ] - [ -0.0017873300000000, -0.0029699300000000, -0.0010189000000000 ] - [ 0.0001784700000000, -0.0009598800000000, -0.0063551100000000 ] - [ 0.0008652100000000, -0.0000733400000000, 0.0016701200000000 ] - [ 0.0006109100000000, -0.0020060000000000, -0.0003302000000000 ] - [ 0.0038079100000000, -0.0029403500000000, 0.0023599400000000 ] - [ 0.0019467600000000, -0.0018931800000000, -0.0020439000000000 ] - [ -0.0001070700000000, -0.0027435200000000, 0.0005651100000000 ] - [ -0.0005283500000000, 0.0005193300000000, 0.0004086500000000 ] - [ 0.0019715700000000, 0.0007109300000000, -0.0027141700000000 ] - [ 0.0038948800000000, -0.0007476800000000, -0.0003247800000000 ] - [ 0.0000531200000000, -0.0008361900000000, -0.0030434400000000 ] - [ -0.0013631200000000, -0.0037686300000000, -0.0022771100000000 ] - [ -0.0012204000000000, -0.0009835700000000, -0.0032128100000000 ] - [ -0.0013503500000000, 0.0011450400000000, -0.0003453300000000 ] - [ -0.0008183100000000, 0.0000096200000000, -0.0014622200000000 ] - [ 0.0015994000000000, -0.0007059200000000, -0.2603815200000000 ] - [ -0.0003811300000000, 0.0005452800000000, 0.0046521000000000 ] - [ 0.0281799000000000, 0.0156652400000000, 0.0071748800000000 ] - [ -0.0002052000000000, 0.0018278900000000, 0.0079896200000000 ] - [ 0.0040502700000000, 0.0043649300000000, -0.0154601100000000 ] - [ 0.0007309200000000, 0.0009710000000000, 0.0050905700000000 ] - [ -0.0037991500000000, -0.0525517300000000, 0.0283880400000000 ] - [ -0.0021726700000000, 0.0006563700000000, 0.0061795500000000 ] - [ -0.0036429000000000, 0.0004107000000000, -0.0065415800000000 ] - [ -0.0005759700000000, 0.0003161300000000, 0.0068664800000000 ] - [ -0.0127650300000000, 0.0061504900000000, 0.0107947100000000 ] - [ -0.0034288700000000, 0.0029414400000000, 0.0028863900000000 ] - [ 0.0031885600000000, 0.0023217300000000, -0.0044284500000000 ] - [ -0.0006603600000000, 0.0008731900000000, 0.0039547000000000 ] - [ -0.0099426400000000, 0.0011641200000000, -0.0075169700000000 ] - [ 0.0000838300000000, 0.0016063600000000, 0.0035821200000000 ] - [ 0.0146908500000000, -0.0009868400000000, -0.0129863100000000 ] - [ 0.0003287000000000, 0.0007108000000000, 0.0034184600000000 ] - [ 0.0041499800000000, -0.0004761300000000, -0.0051971400000000 ] - [ 0.0017836200000000, 0.0021686000000000, 0.0044560300000000 ] - [ 0.0078300200000000, -0.0069663300000000, -0.0050044300000000 ] - [ 0.0006734000000000, 0.0008087000000000, 0.0045255500000000 ] - [ 0.0059071800000000, -0.0028466600000000, 0.0029484600000000 ] - [ 0.0044845700000000, 0.0020060700000000, 0.0076958300000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0044252600000000, -0.0056971500000000, -0.0203150100000000 ] - [ -0.0000785000000000, -0.0001849700000000, 0.0004502900000000 ] - [ 0.0100520300000000, -0.0003791600000000, -0.0009082900000000 ] - [ 0.0011275900000000, 0.0002975300000000, 0.0019440200000000 ] - [ 0.0027455500000000, -0.0009930000000000, -0.0059780900000000 ] - [ -0.0009172600000000, -0.0000280000000000, 0.0023962900000000 ] - [ -0.0010442700000000, -0.0001707200000000, -0.0076063900000000 ] - [ 0.0009042800000000, 0.0003803900000000, 0.0034813300000000 ] - [ 0.0006150700000000, 0.0028644600000000, -0.0157815000000000 ] - [ 0.0010645400000000, 0.0000234300000000, 0.0033914200000000 ] - [ 0.0221800800000000, -0.0224363000000000, -0.1446243500000000 ] - [ -0.0012700900000000, 0.0006204100000000, 0.0043042100000000 ] - [ -0.0013354300000000, 0.0059196400000000, -0.0046429200000000 ] - [ 0.0008190500000000, 0.0018761800000000, 0.0011575900000000 ] - [ -0.0070302000000000, -0.0074967500000000, 0.0008192000000000 ] - [ 0.0001609600000000, 0.0004183300000000, 0.0011863300000000 ] - [ 0.0005844500000000, -0.0003974300000000, 0.0033686400000000 ] - [ 0.0019779500000000, -0.0021462400000000, 0.0013512900000000 ] - [ -0.0011712100000000, 0.0013982600000000, 0.0021011600000000 ] - [ 0.0072636500000000, -0.0039050200000000, 0.0028726400000000 ] - [ -0.0003538800000000, 0.0014539800000000, 0.0007410500000000 ] - [ 0.0051110100000000, -0.0128698700000000, -0.0122013500000000 ] - [ 0.0040067700000000, 0.0015147400000000, -0.0019268400000000 ] - [ 0.0001026600000000, -0.0001168800000000, 0.0006599200000000 ] - [ -0.0121868900000000, -0.0026638200000000, 0.0021829300000000 ] - [ -0.0012250300000000, 0.0001027400000000, 0.0012141200000000 ] - [ 0.0065447500000000, 0.0000605200000000, -0.0287166200000000 ] - [ -0.0010943500000000, -0.0000416900000000, 0.0030006300000000 ] - [ 0.0020220600000000, 0.0001070000000000, -0.0057573600000000 ] - [ 0.0007594400000000, 0.0006423000000000, 0.0046995100000000 ] - [ 0.0009482500000000, 0.0029665600000000, -0.0082834600000000 ] - [ 0.0009504500000000, -0.0000175500000000, 0.0019448200000000 ] - [ 0.0010862600000000, -0.0001986100000000, -0.0030215100000000 ] - [ -0.0004228000000000, 0.0004462000000000, 0.0039632200000000 ] - [ 0.0043534800000000, 0.0003218500000000, -0.0026998400000000 ] - [ 0.0005283300000000, 0.0016478400000000, 0.0007396600000000 ] - [ 0.0012216500000000, 0.0012904200000000, -0.0003114600000000 ] - [ 0.0028171800000000, 0.0029038600000000, 0.0020168900000000 ] - [ -0.0001717000000000, 0.0007789200000000, 0.0063578200000000 ] - [ -0.0008789500000000, 0.0002639100000000, -0.0017072700000000 ] - [ -0.0016476300000000, 0.0019454900000000, 0.0013323300000000 ] - [ -0.0027608700000000, 0.0029955600000000, -0.0013415200000000 ] - [ -0.0009220500000000, 0.0019690900000000, 0.0010394200000000 ] - [ -0.0009537700000000, 0.0026836100000000, -0.0015734700000000 ] - [ 0.0000208600000000, 0.0002472300000000, -0.0004314500000000 ] - [ -0.0014659300000000, -0.0014727800000000, 0.0027156200000000 ] - [ -0.0034400200000000, 0.0015382200000000, 0.0003127300000000 ] - [ -0.0005495500000000, 0.0000701100000000, 0.0030633200000000 ] - [ 0.0008983500000000, 0.0045865600000000, 0.0022555400000000 ] - [ 0.0016993300000000, 0.0002170500000000, 0.0032078600000000 ] - [ 0.0018194200000000, -0.0003656000000000, 0.0002813000000000 ] - [ 0.0003197400000000, -0.0007735300000000, 0.0014693900000000 ] - [ -0.0005139800000000, 0.0012434900000000, 0.2479219400000000 ] - [ -0.0003237300000000, -0.0015421000000000, -0.0056270600000000 ] - [ -0.0286914800000000, -0.0165080700000000, -0.0061876100000000 ] - [ 0.0008966100000000, -0.0008262100000000, -0.0070610800000000 ] - [ -0.0048354300000000, -0.0034074800000000, 0.0145026800000000 ] - [ -0.0000260900000000, -0.0019656800000000, -0.0060631700000000 ] - [ 0.0045360300000000, 0.0508450800000000, -0.0270561600000000 ] - [ 0.0014788700000000, 0.0003487600000000, -0.0052424700000000 ] - [ 0.0036751200000000, -0.0002681700000000, 0.0058818600000000 ] - [ 0.0005694900000000, -0.0005105800000000, -0.0076117500000000 ] - [ 0.0126736300000000, -0.0063380600000000, -0.0100137100000000 ] - [ 0.0034832100000000, -0.0027813600000000, -0.0021355200000000 ] - [ -0.0024492600000000, -0.0013441900000000, 0.0034608000000000 ] - [ -0.0000526000000000, -0.0018651800000000, -0.0049192100000000 ] - [ 0.0091562500000000, -0.0021428900000000, 0.0083979400000000 ] - [ 0.0006445000000000, -0.0006130300000000, -0.0026061600000000 ] - [ -0.0152114600000000, 0.0019560300000000, 0.0118661100000000 ] - [ 0.0003841000000000, -0.0017028600000000, -0.0043830600000000 ] - [ -0.0034237700000000, -0.0005126400000000, 0.0061112400000000 ] - [ -0.0025059800000000, -0.0011784100000000, -0.0034783500000000 ] - [ -0.0077440300000000, 0.0071160500000000, 0.0044657400000000 ] - [ -0.0006631000000000, -0.0009959300000000, -0.0052796000000000 ] - [ -0.0058630200000000, 0.0026372000000000, -0.0022160600000000 ] - [ -0.0045534700000000, -0.0018411000000000, -0.0069211100000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0162360900000000, 0.0002293700000000, -0.0004567900000000 ] - [ 0.0012979300000000, -0.0002342300000000, -0.0004444000000000 ] - [ 0.0102788500000000, -0.0002333300000000, 0.0004412600000000 ] - [ -0.0031431300000000, 0.0002337900000000, 0.0004456100000000 ] - [ 0.0021191300000000, 0.0018193300000000, -0.0092829700000000 ] - [ -0.0011852200000000, -0.0003416800000000, 0.0004418600000000 ] - [ -0.0028302300000000, 0.0001659500000000, -0.0019870800000000 ] - [ 0.0013490800000000, 0.0004212900000000, 0.0015656500000000 ] - [ 0.0002357800000000, -0.0013787300000000, 0.0078854400000000 ] - [ 0.0006386600000000, -0.0001398500000000, -0.0018785300000000 ] - [ -0.0010044000000000, -0.0006441900000000, 0.0034008000000000 ] - [ -0.0004930000000000, 0.0000636100000000, -0.0001342200000000 ] - [ 0.0817491200000000, 0.0458422600000000, -0.0341618200000000 ] - [ -0.0010259800000000, -0.0004757900000000, -0.0007613200000000 ] - [ -0.0030283200000000, -0.0020099600000000, 0.0016254000000000 ] - [ 0.0041444800000000, 0.0032028200000000, 0.0023785400000000 ] - [ 0.0008627900000000, -0.0000903500000000, -0.0000012100000000 ] - [ -0.0022122400000000, 0.0000912300000000, 0.0000052500000000 ] - [ -0.0025427200000000, 0.0014515400000000, 0.0002952700000000 ] - [ 0.0044928300000000, -0.0039920300000000, 0.0049629900000000 ] - [ 0.0010172200000000, -0.0004711100000000, -0.0006898200000000 ] - [ -0.0079768100000000, 0.0046908300000000, -0.0011925200000000 ] - [ 0.0269972500000000, 0.0002523200000000, -0.0004421800000000 ] - [ -0.0011837800000000, -0.0002341900000000, -0.0004438500000000 ] - [ -0.0065193200000000, -0.0002327400000000, 0.0004440100000000 ] - [ 0.0036931000000000, 0.0002252200000000, 0.0004428800000000 ] - [ -0.0032229500000000, -0.0003266400000000, 0.0023271600000000 ] - [ -0.0004156400000000, -0.0001917900000000, -0.0022519400000000 ] - [ -0.0015767400000000, -0.0039772300000000, 0.0107184200000000 ] - [ 0.0003188700000000, 0.0000322800000000, -0.0002445000000000 ] - [ -0.0050239000000000, 0.0008187900000000, -0.0037787100000000 ] - [ 0.0014145900000000, -0.0002911700000000, 0.0008053800000000 ] - [ 0.0002538800000000, 0.0034600000000000, -0.0092382500000000 ] - [ -0.0015016700000000, 0.0004467400000000, 0.0016873200000000 ] - [ -0.0069622900000000, -0.0047899900000000, 0.0001883500000000 ] - [ -0.0000061200000000, 0.0005438900000000, -0.0003170000000000 ] - [ 0.0034747400000000, 0.0040601400000000, -0.0039712400000000 ] - [ -0.0015091500000000, -0.0015169300000000, 0.0007123400000000 ] - [ -0.0004740200000000, -0.0000924700000000, -0.0000030900000000 ] - [ 0.0169364600000000, 0.0002435100000000, 0.0001588700000000 ] - [ 0.0031793400000000, -0.0033087500000000, -0.0014169600000000 ] - [ -0.0020057100000000, 0.0020870900000000, -0.0006254200000000 ] - [ 0.0000004800000000, 0.0005496300000000, -0.0002423500000000 ] - [ 0.0845377800000000, -0.0497430200000000, 0.0353998900000000 ] - [ 0.0056424600000000, -0.0001248600000000, 0.0043873900000000 ] - [ -0.0008201500000000, -0.0007180800000000, -0.0005855000000000 ] - [ 0.0059253000000000, 0.0009700900000000, -0.0045275800000000 ] - [ -0.0013162700000000, -0.0000475800000000, 0.0005806200000000 ] - [ -0.0038526700000000, -0.0011850500000000, -0.0013545800000000 ] - [ 0.0012724400000000, 0.0003902900000000, 0.0003314100000000 ] - [ -0.0033674500000000, 0.0019615700000000, 0.0013695000000000 ] - [ 0.0007801000000000, -0.0011588800000000, -0.0003334800000000 ] - [ 0.0268205300000000, -0.0028527700000000, -0.0040992500000000 ] - [ -0.0011881900000000, 0.0000775600000000, 0.0000952000000000 ] - [ -0.0057795800000000, 0.0017354000000000, -0.0122139200000000 ] - [ 0.0037875700000000, 0.0013221400000000, 0.0039309900000000 ] - [ -0.0013580500000000, 0.0400087400000000, -0.0082716900000000 ] - [ 0.0011220400000000, -0.0001917200000000, 0.0001877000000000 ] - [ 0.0069725100000000, 0.0000657500000000, -0.0054007000000000 ] - [ -0.0031703900000000, -0.0035246100000000, 0.0050023700000000 ] - [ -0.2334905700000000, 0.0037635200000000, -0.0028562200000000 ] - [ 0.0017428500000000, -0.0000930000000000, -0.0003708300000000 ] - [ 0.0053911000000000, -0.0000924400000000, 0.0003793000000000 ] - [ -0.0150289300000000, 0.0000164300000000, 0.0004976700000000 ] - [ -0.0005680800000000, -0.0389427900000000, 0.0073038900000000 ] - [ 0.0004080000000000, -0.0008017600000000, -0.0011493500000000 ] - [ 0.0062556200000000, -0.0010717400000000, 0.0063705000000000 ] - [ -0.0024934500000000, 0.0045603900000000, -0.0040349400000000 ] - [ 0.0262145300000000, 0.0038363900000000, 0.0032202700000000 ] - [ -0.0004858600000000, -0.0010683400000000, -0.0010499700000000 ] - [ -0.0050662200000000, -0.0027092900000000, 0.0132260300000000 ] - [ 0.0030626000000000, -0.0003345100000000, -0.0029831700000000 ] - [ 0.0131515100000000, 0.0000989600000000, -0.0003751800000000 ] - [ -0.0016338200000000, -0.0000919700000000, -0.0003691000000000 ] - [ -0.0124727200000000, -0.0001010000000000, 0.0003668500000000 ] - [ 0.0066303000000000, 0.0000877200000000, 0.0003592200000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0000491500000000, -0.0004740100000000 ] - [ 0.0000000000000000, -0.0001495300000000, -0.0003269800000000 ] - [ 0.0000000000000000, -0.0005494100000000, 0.0000575700000000 ] - [ 0.0000000000000000, 0.0002802900000000, 0.0003896600000000 ] - [ -0.0046794100000000, -0.0057424600000000, -0.0057354800000000 ] - [ -0.0009166900000000, -0.0003748400000000, 0.0004832400000000 ] - [ -0.0017853700000000, 0.0010627300000000, 0.0008291400000000 ] - [ 0.0017591900000000, 0.0005617900000000, 0.0010590700000000 ] - [ 0.0046794100000000, -0.0057424600000000, -0.0057354800000000 ] - [ 0.0009166900000000, -0.0003748400000000, 0.0004832400000000 ] - [ 0.0017853700000000, 0.0010627300000000, 0.0008291400000000 ] - [ -0.0017591900000000, 0.0005617900000000, 0.0010590700000000 ] - [ 0.0504841000000000, 0.0654678900000000, -0.0293191200000000 ] - [ -0.0003425700000000, 0.0003011400000000, -0.0002182500000000 ] - [ -0.0007246900000000, -0.0007379100000000, 0.0008667700000000 ] - [ -0.0025899100000000, -0.0011469000000000, -0.0030008900000000 ] - [ 0.0000000000000000, -0.0000689900000000, 0.0012710100000000 ] - [ 0.0000000000000000, -0.0008127000000000, -0.0015805600000000 ] - [ 0.0005483000000000, -0.0009833800000000, 0.0008698400000000 ] - [ 0.0003862300000000, 0.0014857000000000, 0.0020583100000000 ] - [ 0.0002108600000000, 0.0003611500000000, -0.0004192500000000 ] - [ -0.0011490400000000, 0.0015405900000000, -0.0007482400000000 ] - [ 0.0000000000000000, -0.0153215100000000, -0.0008939300000000 ] - [ 0.0000000000000000, -0.0001906200000000, -0.0002456200000000 ] - [ 0.0000000000000000, -0.0000409300000000, 0.0008641600000000 ] - [ 0.0000000000000000, -0.0005156900000000, 0.0009090100000000 ] - [ -0.0016646800000000, 0.0004444500000000, 0.0006073500000000 ] - [ -0.0011407700000000, -0.0003061700000000, 0.0003243200000000 ] - [ -0.0021282200000000, -0.0056843600000000, 0.0034219100000000 ] - [ 0.0011076400000000, 0.0006792300000000, 0.0016719300000000 ] - [ 0.0016646800000000, 0.0004444500000000, 0.0006073500000000 ] - [ 0.0011407700000000, -0.0003061700000000, 0.0003243200000000 ] - [ 0.0021282200000000, -0.0056843600000000, 0.0034219100000000 ] - [ -0.0011076400000000, 0.0006792300000000, 0.0016719300000000 ] - [ 0.0011490400000000, 0.0015405900000000, -0.0007482400000000 ] - [ -0.0002108600000000, 0.0003611500000000, -0.0004192500000000 ] - [ -0.0003862300000000, 0.0014857000000000, 0.0020583100000000 ] - [ -0.0005483000000000, -0.0009833800000000, 0.0008698400000000 ] - [ 0.0000000000000000, -0.0001295400000000, 0.0008640100000000 ] - [ 0.0000000000000000, 0.0679654700000000, 0.0419277200000000 ] - [ 0.0025899100000000, -0.0011469000000000, -0.0030008900000000 ] - [ 0.0007246900000000, -0.0007379100000000, 0.0008667700000000 ] - [ 0.0003425700000000, 0.0003011400000000, -0.0002182500000000 ] - [ -0.0504841000000000, 0.0654678900000000, -0.0293191200000000 ] - [ -0.0036181500000000, 0.0007009000000000, 0.0072624900000000 ] - [ 0.0000903000000000, -0.0002413000000000, 0.0003981500000000 ] - [ 0.0036181500000000, 0.0007009000000000, 0.0072624900000000 ] - [ -0.0000903000000000, -0.0002413000000000, 0.0003981500000000 ] - [ -0.0009051000000000, -0.0002653200000000, -0.0012183800000000 ] - [ 0.0000699600000000, -0.0008099000000000, 0.0004339800000000 ] - [ 0.0009051000000000, -0.0002653200000000, -0.0012183800000000 ] - [ -0.0000699600000000, -0.0008099000000000, 0.0004339800000000 ] - [ 0.0036508900000000, -0.0092437200000000, -0.0001547800000000 ] - [ -0.0001709300000000, -0.0010136700000000, -0.0008975000000000 ] - [ -0.0009300100000000, -0.0002956300000000, 0.0067680900000000 ] - [ -0.0007716500000000, -0.0013912600000000, -0.0023827800000000 ] - [ 0.0143370500000000, 0.0461458800000000, -0.0074933300000000 ] - [ 0.0005738900000000, -0.0007142300000000, -0.0013859200000000 ] - [ 0.0013281800000000, -0.0004990200000000, -0.0022661900000000 ] - [ 0.0010935500000000, 0.0058158800000000, -0.0014354600000000 ] - [ 0.0000000000000000, -0.2243178200000000, 0.0105582800000000 ] - [ 0.0000000000000000, -0.0000415600000000, -0.0014958100000000 ] - [ 0.0000000000000000, 0.0002573400000000, -0.0007272300000000 ] - [ 0.0000000000000000, -0.0215768200000000, 0.0094804700000000 ] - [ -0.0143370500000000, 0.0461458800000000, -0.0074933300000000 ] - [ -0.0005738900000000, -0.0007142300000000, -0.0013859200000000 ] - [ -0.0013281800000000, -0.0004990200000000, -0.0022661900000000 ] - [ -0.0010935500000000, 0.0058158800000000, -0.0014354600000000 ] - [ -0.0036508900000000, -0.0092437200000000, -0.0001547800000000 ] - [ 0.0001709300000000, -0.0010136700000000, -0.0008975000000000 ] - [ 0.0009300100000000, -0.0002956300000000, 0.0067680900000000 ] - [ 0.0007716500000000, -0.0013912600000000, -0.0023827800000000 ] - [ 0.0000000000000000, 0.0016562800000000, 0.0022714200000000 ] - [ 0.0000000000000000, 0.0002858800000000, -0.0011765300000000 ] - [ 0.0000000000000000, 0.0004459300000000, -0.0047978700000000 ] - [ 0.0000000000000000, 0.0026385000000000, 0.0023671900000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0004984500000000, -0.0004321500000000 ] - [ 0.0000000000000000, -0.0003055800000000, -0.0005772800000000 ] - [ 0.0000000000000000, 0.0001002700000000, 0.0008410200000000 ] - [ 0.0000000000000000, 0.0001748500000000, 0.0005149000000000 ] - [ 0.0064380500000000, 0.0061688400000000, 0.0042139100000000 ] - [ -0.0009082300000000, -0.0000948100000000, -0.0019384600000000 ] - [ -0.0000471300000000, -0.0015199200000000, 0.0006351600000000 ] - [ 0.0000675400000000, -0.0000958400000000, 0.0004041500000000 ] - [ -0.0064380500000000, 0.0061688400000000, 0.0042139100000000 ] - [ 0.0009082300000000, -0.0000948100000000, -0.0019384600000000 ] - [ 0.0000471300000000, -0.0015199200000000, 0.0006351600000000 ] - [ -0.0000675400000000, -0.0000958400000000, 0.0004041500000000 ] - [ -0.0523869200000000, -0.0674671600000000, 0.0297317200000000 ] - [ -0.0006745600000000, -0.0002378400000000, -0.0007777000000000 ] - [ -0.0002897800000000, 0.0007977400000000, 0.0001309800000000 ] - [ 0.0035565900000000, 0.0010692400000000, 0.0039411400000000 ] - [ 0.0000000000000000, -0.0001150700000000, -0.0012706500000000 ] - [ 0.0000000000000000, 0.0009898400000000, 0.0015754500000000 ] - [ -0.0015628300000000, 0.0009160100000000, 0.0001275100000000 ] - [ 0.0006232800000000, -0.0014186000000000, -0.0010485900000000 ] - [ 0.0008057900000000, -0.0002987700000000, -0.0005799000000000 ] - [ 0.0001332700000000, -0.0015912100000000, -0.0002457100000000 ] - [ 0.0000000000000000, 0.0157786300000000, -0.0001046100000000 ] - [ 0.0000000000000000, -0.0002644500000000, -0.0006579000000000 ] - [ 0.0000000000000000, -0.0004112300000000, 0.0000433900000000 ] - [ 0.0000000000000000, 0.0009570400000000, -0.0000042000000000 ] - [ 0.0034652500000000, 0.0000091000000000, -0.0020536200000000 ] - [ -0.0006857400000000, -0.0001689300000000, -0.0017925500000000 ] - [ 0.0003159300000000, 0.0051605100000000, -0.0019551100000000 ] - [ 0.0007132500000000, -0.0002054600000000, -0.0002097600000000 ] - [ -0.0034652500000000, 0.0000091000000000, -0.0020536200000000 ] - [ 0.0006857400000000, -0.0001689300000000, -0.0017925500000000 ] - [ -0.0003159300000000, 0.0051605100000000, -0.0019551100000000 ] - [ -0.0007132500000000, -0.0002054600000000, -0.0002097600000000 ] - [ -0.0001332700000000, -0.0015912100000000, -0.0002457100000000 ] - [ -0.0008057900000000, -0.0002987700000000, -0.0005799000000000 ] - [ -0.0006232800000000, -0.0014186000000000, -0.0010485900000000 ] - [ 0.0015628300000000, 0.0009160100000000, 0.0001275100000000 ] - [ 0.0000000000000000, -0.0000533800000000, -0.0008631300000000 ] - [ 0.0000000000000000, -0.0685920700000000, -0.0440733700000000 ] - [ -0.0035565900000000, 0.0010692400000000, 0.0039411400000000 ] - [ 0.0002897800000000, 0.0007977400000000, 0.0001309800000000 ] - [ 0.0006745600000000, -0.0002378400000000, -0.0007777000000000 ] - [ 0.0523869200000000, -0.0674671600000000, 0.0297317200000000 ] - [ 0.0031175900000000, 0.0001475700000000, -0.0072569000000000 ] - [ 0.0004054400000000, -0.0005224100000000, -0.0003994300000000 ] - [ -0.0031175900000000, 0.0001475700000000, -0.0072569000000000 ] - [ -0.0004054400000000, -0.0005224100000000, -0.0003994300000000 ] - [ 0.0004085900000000, 0.0010274600000000, 0.0012168000000000 ] - [ 0.0004260000000000, 0.0000410800000000, -0.0004369900000000 ] - [ -0.0004085900000000, 0.0010274600000000, 0.0012168000000000 ] - [ -0.0004260000000000, 0.0000410800000000, -0.0004369900000000 ] - [ -0.0028810200000000, 0.0101556600000000, -0.0008337700000000 ] - [ -0.0005410600000000, 0.0000293100000000, -0.0000703300000000 ] - [ 0.0002164000000000, -0.0007162900000000, -0.0057226200000000 ] - [ 0.0014905900000000, 0.0023670200000000, 0.0033403900000000 ] - [ -0.0154813400000000, -0.0449214500000000, 0.0065888300000000 ] - [ 0.0001445200000000, -0.0002729100000000, 0.0004189000000000 ] - [ -0.0006162400000000, -0.0004829900000000, 0.0032163800000000 ] - [ -0.0017959800000000, -0.0047869800000000, 0.0024126500000000 ] - [ 0.0000000000000000, 0.2290730000000000, -0.0121446900000000 ] - [ 0.0000000000000000, -0.0001530900000000, 0.0007423000000000 ] - [ 0.0000000000000000, -0.0004542700000000, 0.0014784500000000 ] - [ 0.0000000000000000, 0.0215740400000000, -0.0085185400000000 ] - [ 0.0154813400000000, -0.0449214500000000, 0.0065888300000000 ] - [ -0.0001445200000000, -0.0002729100000000, 0.0004189000000000 ] - [ 0.0006162400000000, -0.0004829900000000, 0.0032163800000000 ] - [ 0.0017959800000000, -0.0047869800000000, 0.0024126500000000 ] - [ 0.0028810200000000, 0.0101556600000000, -0.0008337700000000 ] - [ 0.0005410600000000, 0.0000293100000000, -0.0000703300000000 ] - [ -0.0002164000000000, -0.0007162900000000, -0.0057226200000000 ] - [ -0.0014905900000000, 0.0023670200000000, 0.0033403900000000 ] - [ 0.0000000000000000, -0.0014445800000000, -0.0030130200000000 ] - [ 0.0000000000000000, -0.0004789400000000, 0.0004314400000000 ] - [ 0.0000000000000000, -0.0006184000000000, 0.0055280800000000 ] - [ 0.0000000000000000, -0.0024309500000000, -0.0016096400000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0005421400000000, 0.0001672900000000 ] - [ 0.0000000000000000, -0.0003000300000000, -0.0019330900000000 ] - [ 0.0000000000000000, -0.0012004400000000, -0.0013332100000000 ] - [ 0.0000000000000000, 0.0000469800000000, 0.0004972600000000 ] - [ -0.0017101800000000, -0.0004829100000000, -0.0027559100000000 ] - [ -0.0002828900000000, -0.0005540700000000, -0.0032033200000000 ] - [ -0.0023057200000000, 0.0005540500000000, 0.0012400100000000 ] - [ 0.0035265300000000, 0.0002928700000000, -0.0049682600000000 ] - [ 0.0017101800000000, -0.0004829100000000, -0.0027559100000000 ] - [ 0.0002828900000000, -0.0005540700000000, -0.0032033200000000 ] - [ 0.0023057200000000, 0.0005540500000000, 0.0012400100000000 ] - [ -0.0035265300000000, 0.0002928700000000, -0.0049682600000000 ] - [ -0.0315716800000000, -0.0266753300000000, 0.0316355900000000 ] - [ -0.0018177500000000, -0.0016485600000000, -0.0017990200000000 ] - [ 0.0011200200000000, 0.0014517700000000, -0.0003499600000000 ] - [ -0.0072223600000000, -0.0070315600000000, -0.0058415500000000 ] - [ 0.0000000000000000, 0.0001275700000000, -0.0076822200000000 ] - [ 0.0000000000000000, 0.0003532200000000, 0.0051471700000000 ] - [ -0.0027971300000000, 0.0012658000000000, 0.0006134900000000 ] - [ 0.0009853800000000, 0.0022247700000000, -0.0042892400000000 ] - [ 0.0020400000000000, -0.0024954900000000, -0.0028911400000000 ] - [ 0.0027955800000000, -0.0030397400000000, 0.0015981300000000 ] - [ 0.0000000000000000, 0.0037934200000000, 0.0046746700000000 ] - [ 0.0000000000000000, -0.0002891500000000, -0.0014437100000000 ] - [ 0.0000000000000000, -0.0002039800000000, -0.0001136200000000 ] - [ 0.0000000000000000, -0.0007068700000000, -0.0017095000000000 ] - [ 0.0026193300000000, -0.0000827900000000, -0.0006328000000000 ] - [ -0.0013442700000000, -0.0007110300000000, -0.0059620200000000 ] - [ 0.0007902600000000, -0.0012164100000000, -0.0014165900000000 ] - [ -0.0006565800000000, 0.0001456700000000, -0.0019201300000000 ] - [ -0.0026193300000000, -0.0000827900000000, -0.0006328000000000 ] - [ 0.0013442700000000, -0.0007110300000000, -0.0059620200000000 ] - [ -0.0007902600000000, -0.0012164100000000, -0.0014165900000000 ] - [ 0.0006565800000000, 0.0001456700000000, -0.0019201300000000 ] - [ -0.0027955800000000, -0.0030397400000000, 0.0015981300000000 ] - [ -0.0020400000000000, -0.0024954900000000, -0.0028911400000000 ] - [ -0.0009853800000000, 0.0022247700000000, -0.0042892400000000 ] - [ 0.0027971300000000, 0.0012658000000000, 0.0006134900000000 ] - [ 0.0000000000000000, -0.0000689300000000, -0.0039700200000000 ] - [ 0.0000000000000000, 0.0683918400000000, 0.0872437600000000 ] - [ 0.0072223600000000, -0.0070315600000000, -0.0058415500000000 ] - [ -0.0011200200000000, 0.0014517700000000, -0.0003499600000000 ] - [ 0.0018177500000000, -0.0016485600000000, -0.0017990200000000 ] - [ 0.0315716800000000, -0.0266753300000000, 0.0316355900000000 ] - [ 0.0000762400000000, 0.0037363800000000, 0.0080993700000000 ] - [ -0.0000256200000000, -0.0004048200000000, -0.0027236600000000 ] - [ -0.0000762400000000, 0.0037363800000000, 0.0080993700000000 ] - [ 0.0000256200000000, -0.0004048200000000, -0.0027236600000000 ] - [ -0.0009616600000000, 0.0003677500000000, 0.0036936900000000 ] - [ 0.0006935900000000, -0.0001814000000000, -0.0037338000000000 ] - [ 0.0009616600000000, 0.0003677500000000, 0.0036936900000000 ] - [ -0.0006935900000000, -0.0001814000000000, -0.0037338000000000 ] - [ -0.0077996600000000, 0.0037890100000000, -0.0067043900000000 ] - [ 0.0000964700000000, 0.0015815200000000, 0.0067378000000000 ] - [ -0.0054584100000000, 0.0024375900000000, 0.0108740100000000 ] - [ 0.0053032000000000, 0.0007294000000000, 0.0029962700000000 ] - [ -0.0070086700000000, -0.0151445800000000, -0.0052801200000000 ] - [ 0.0013111700000000, 0.0004218800000000, 0.0044108100000000 ] - [ -0.0026558400000000, -0.0013761800000000, 0.0030466300000000 ] - [ 0.0060912500000000, 0.0062875700000000, 0.0077861300000000 ] - [ 0.0000000000000000, 0.0138902700000000, -0.2155086900000000 ] - [ 0.0000000000000000, 0.0010186700000000, 0.0051528200000000 ] - [ 0.0000000000000000, -0.0011983400000000, 0.0049804800000000 ] - [ 0.0000000000000000, -0.0089376100000000, 0.0578428800000000 ] - [ 0.0070086700000000, -0.0151445800000000, -0.0052801200000000 ] - [ -0.0013111700000000, 0.0004218800000000, 0.0044108100000000 ] - [ 0.0026558400000000, -0.0013761800000000, 0.0030466300000000 ] - [ -0.0060912500000000, 0.0062875700000000, 0.0077861300000000 ] - [ 0.0077996600000000, 0.0037890100000000, -0.0067043900000000 ] - [ -0.0000964700000000, 0.0015815200000000, 0.0067378000000000 ] - [ 0.0054584100000000, 0.0024375900000000, 0.0108740100000000 ] - [ -0.0053032000000000, 0.0007294000000000, 0.0029962700000000 ] - [ 0.0000000000000000, 0.0027364000000000, -0.0092560300000000 ] - [ 0.0000000000000000, 0.0006997000000000, 0.0093925600000000 ] - [ 0.0000000000000000, -0.0052920800000000, 0.0151084000000000 ] - [ 0.0000000000000000, -0.0018850900000000, -0.0037771600000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000927900000000, -0.0010738400000000 ] - [ 0.0000000000000000, -0.0001557300000000, 0.0010341400000000 ] - [ 0.0000000000000000, 0.0007349200000000, 0.0022377100000000 ] - [ 0.0000000000000000, 0.0004085000000000, 0.0004046500000000 ] - [ 0.0035930300000000, 0.0009268400000000, 0.0014268400000000 ] - [ -0.0015459000000000, 0.0000868300000000, 0.0017469500000000 ] - [ 0.0004799700000000, -0.0010245600000000, 0.0002386900000000 ] - [ -0.0017221300000000, 0.0001686200000000, 0.0064617600000000 ] - [ -0.0035930300000000, 0.0009268400000000, 0.0014268400000000 ] - [ 0.0015459000000000, 0.0000868300000000, 0.0017469500000000 ] - [ -0.0004799700000000, -0.0010245600000000, 0.0002386900000000 ] - [ 0.0017221300000000, 0.0001686200000000, 0.0064617600000000 ] - [ 0.0317568900000000, 0.0258386300000000, -0.0327245400000000 ] - [ 0.0008077200000000, 0.0017182900000000, 0.0008071100000000 ] - [ -0.0021404100000000, -0.0013974800000000, 0.0013536500000000 ] - [ 0.0082385700000000, 0.0070002100000000, 0.0068271300000000 ] - [ 0.0000000000000000, -0.0003037100000000, 0.0076897600000000 ] - [ 0.0000000000000000, -0.0001731300000000, -0.0051786500000000 ] - [ 0.0017927000000000, -0.0013380600000000, 0.0003770400000000 ] - [ 0.0000627900000000, -0.0021831100000000, 0.0052556500000000 ] - [ -0.0010266600000000, 0.0025664300000000, 0.0019017700000000 ] - [ -0.0038312200000000, 0.0029921700000000, -0.0025990500000000 ] - [ 0.0000000000000000, -0.0033788000000000, -0.0055851300000000 ] - [ 0.0000000000000000, -0.0001659100000000, 0.0005433900000000 ] - [ 0.0000000000000000, -0.0002514400000000, 0.0010263200000000 ] - [ 0.0000000000000000, 0.0011583600000000, 0.0026203500000000 ] - [ -0.0008233800000000, 0.0005499100000000, -0.0008004100000000 ] - [ -0.0004758400000000, 0.0002410100000000, 0.0045108900000000 ] - [ -0.0026153300000000, 0.0007335800000000, 0.0029310600000000 ] - [ 0.0024869700000000, 0.0003234000000000, 0.0033864400000000 ] - [ 0.0008233800000000, 0.0005499100000000, -0.0008004100000000 ] - [ 0.0004758400000000, 0.0002410100000000, 0.0045108900000000 ] - [ 0.0026153300000000, 0.0007335800000000, 0.0029310600000000 ] - [ -0.0024869700000000, 0.0003234000000000, 0.0033864400000000 ] - [ 0.0038312200000000, 0.0029921700000000, -0.0025990500000000 ] - [ 0.0010266600000000, 0.0025664300000000, 0.0019017700000000 ] - [ -0.0000627900000000, -0.0021831100000000, 0.0052556500000000 ] - [ -0.0017927000000000, -0.0013380600000000, 0.0003770400000000 ] - [ 0.0000000000000000, -0.0001133200000000, 0.0039888700000000 ] - [ 0.0000000000000000, -0.0719681200000000, -0.0927188500000000 ] - [ -0.0082385700000000, 0.0070002100000000, 0.0068271300000000 ] - [ 0.0021404100000000, -0.0013974800000000, 0.0013536500000000 ] - [ -0.0008077200000000, 0.0017182900000000, 0.0008071100000000 ] - [ -0.0317568900000000, 0.0258386300000000, -0.0327245400000000 ] - [ -0.0004361000000000, -0.0029077700000000, -0.0082391500000000 ] - [ 0.0005196000000000, -0.0003607300000000, 0.0027353500000000 ] - [ 0.0004361000000000, -0.0029077700000000, -0.0082391500000000 ] - [ -0.0005196000000000, -0.0003607300000000, 0.0027353500000000 ] - [ 0.0004727600000000, 0.0003995100000000, -0.0037128100000000 ] - [ -0.0001915000000000, -0.0005817300000000, 0.0037439300000000 ] - [ -0.0004727600000000, 0.0003995100000000, -0.0037128100000000 ] - [ 0.0001915000000000, -0.0005817300000000, 0.0037439300000000 ] - [ 0.0085751900000000, -0.0028474000000000, 0.0057181300000000 ] - [ -0.0008182600000000, -0.0025723000000000, -0.0077395200000000 ] - [ 0.0046932900000000, -0.0033485100000000, -0.0099338100000000 ] - [ -0.0046075800000000, 0.0002578400000000, -0.0020252400000000 ] - [ 0.0063132800000000, 0.0163572700000000, 0.0041892100000000 ] - [ -0.0006023600000000, -0.0014104900000000, -0.0053939700000000 ] - [ 0.0033632700000000, 0.0003880300000000, -0.0021180100000000 ] - [ -0.0068413900000000, -0.0053204800000000, -0.0068296200000000 ] - [ 0.0000000000000000, -0.0087303600000000, 0.2214419200000000 ] - [ 0.0000000000000000, -0.0012193700000000, -0.0059257700000000 ] - [ 0.0000000000000000, 0.0010071600000000, -0.0042561600000000 ] - [ 0.0000000000000000, 0.0090614700000000, -0.0578611600000000 ] - [ -0.0063132800000000, 0.0163572700000000, 0.0041892100000000 ] - [ 0.0006023600000000, -0.0014104900000000, -0.0053939700000000 ] - [ -0.0033632700000000, 0.0003880300000000, -0.0021180100000000 ] - [ 0.0068413900000000, -0.0053204800000000, -0.0068296200000000 ] - [ -0.0085751900000000, -0.0028474000000000, 0.0057181300000000 ] - [ 0.0008182600000000, -0.0025723000000000, -0.0077395200000000 ] - [ -0.0046932900000000, -0.0033485100000000, -0.0099338100000000 ] - [ 0.0046075800000000, 0.0002578400000000, -0.0020252400000000 ] - [ 0.0000000000000000, -0.0025484300000000, 0.0085525500000000 ] - [ 0.0000000000000000, -0.0009080900000000, -0.0101625500000000 ] - [ 0.0000000000000000, 0.0050349400000000, -0.0143265000000000 ] - [ 0.0000000000000000, 0.0020919800000000, 0.0045580000000000 ]