# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3872e5c2-cc48-4d61-b210-36f7888c8f8a/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 MoBr2 / Cmce (64) / materials id 29555](https://mdr.nims.go.jp/datasets/eeb1ba77-1697-461d-bf98-d6249a4c85fe) ## 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: "Cmce" number: 64 Hall_symbol: "-C 2bc 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, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.599131270000000, -5.889884810000000, 0.000000000000000 ] # a - [ 7.599131270000000, 5.889884810000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.775792830000000 ] # c points: - symbol: Br # 1 coordinates: [ 0.350201150000000, 0.649798850000000, 0.350258870000000 ] mass: 79.904000 - symbol: Br # 2 coordinates: [ 0.149798850000000, 0.850201150000000, 0.850258870000000 ] mass: 79.904000 - symbol: Br # 3 coordinates: [ 0.850201150000000, 0.149798850000000, 0.149741130000000 ] mass: 79.904000 - symbol: Br # 4 coordinates: [ 0.649798850000000, 0.350201150000000, 0.649741130000000 ] mass: 79.904000 - symbol: Br # 5 coordinates: [ 0.789711270000000, 0.789711270000000, 0.000000000000000 ] mass: 79.904000 - symbol: Br # 6 coordinates: [ 0.710288730000000, 0.710288730000000, 0.500000000000000 ] mass: 79.904000 - symbol: Br # 7 coordinates: [ 0.210288730000000, 0.210288730000000, 0.000000000000000 ] mass: 79.904000 - symbol: Br # 8 coordinates: [ 0.289711270000000, 0.289711270000000, 0.500000000000000 ] mass: 79.904000 - symbol: Br # 9 coordinates: [ 0.672661900000000, 0.087569420000000, 0.427307370000000 ] mass: 79.904000 - symbol: Br # 10 coordinates: [ 0.827338100000000, 0.412430580000000, 0.927307370000000 ] mass: 79.904000 - symbol: Br # 11 coordinates: [ 0.412430580000000, 0.827338100000000, 0.072692630000000 ] mass: 79.904000 - symbol: Br # 12 coordinates: [ 0.087569420000000, 0.672661900000000, 0.572692630000000 ] mass: 79.904000 - symbol: Br # 13 coordinates: [ 0.047067150000000, 0.192531570000000, 0.707580960000000 ] mass: 79.904000 - symbol: Br # 14 coordinates: [ 0.452932850000000, 0.307468430000000, 0.207580960000000 ] mass: 79.904000 - symbol: Br # 15 coordinates: [ 0.307468430000000, 0.452932850000000, 0.792419040000000 ] mass: 79.904000 - symbol: Br # 16 coordinates: [ 0.192531570000000, 0.047067150000000, 0.292419040000000 ] mass: 79.904000 - symbol: Br # 17 coordinates: [ 0.952932850000000, 0.807468430000000, 0.292419040000000 ] mass: 79.904000 - symbol: Br # 18 coordinates: [ 0.547067150000000, 0.692531570000000, 0.792419040000000 ] mass: 79.904000 - symbol: Br # 19 coordinates: [ 0.692531570000000, 0.547067150000000, 0.207580960000000 ] mass: 79.904000 - symbol: Br # 20 coordinates: [ 0.807468430000000, 0.952932850000000, 0.707580960000000 ] mass: 79.904000 - symbol: Br # 21 coordinates: [ 0.912430580000000, 0.327338100000000, 0.427307370000000 ] mass: 79.904000 - symbol: Br # 22 coordinates: [ 0.587569420000000, 0.172661900000000, 0.927307370000000 ] mass: 79.904000 - symbol: Br # 23 coordinates: [ 0.172661900000000, 0.587569420000000, 0.072692630000000 ] mass: 79.904000 - symbol: Br # 24 coordinates: [ 0.327338100000000, 0.912430580000000, 0.572692630000000 ] mass: 79.904000 - symbol: Mo # 25 coordinates: [ 0.931818290000000, 0.068181710000000, 0.358598560000000 ] mass: 95.960000 - symbol: Mo # 26 coordinates: [ 0.568181710000000, 0.431818290000000, 0.858598560000000 ] mass: 95.960000 - symbol: Mo # 27 coordinates: [ 0.431818290000000, 0.568181710000000, 0.141401440000000 ] mass: 95.960000 - symbol: Mo # 28 coordinates: [ 0.068181710000000, 0.931818290000000, 0.641401440000000 ] mass: 95.960000 - symbol: Mo # 29 coordinates: [ 0.141391910000000, 0.858608090000000, 0.431867440000000 ] mass: 95.960000 - symbol: Mo # 30 coordinates: [ 0.358608090000000, 0.641391910000000, 0.931867440000000 ] mass: 95.960000 - symbol: Mo # 31 coordinates: [ 0.641391910000000, 0.358608090000000, 0.068132560000000 ] mass: 95.960000 - symbol: Mo # 32 coordinates: [ 0.858608090000000, 0.141391910000000, 0.568132560000000 ] mass: 95.960000 - symbol: Mo # 33 coordinates: [ 0.622114830000000, 0.622114830000000, 0.000000000000000 ] mass: 95.960000 - symbol: Mo # 34 coordinates: [ 0.877885170000000, 0.877885170000000, 0.500000000000000 ] mass: 95.960000 - symbol: Mo # 35 coordinates: [ 0.377885170000000, 0.377885170000000, 0.000000000000000 ] mass: 95.960000 - symbol: Mo # 36 coordinates: [ 0.122114830000000, 0.122114830000000, 0.500000000000000 ] mass: 95.960000 reciprocal_lattice: # without 2pi - [ 0.065796994713581, -0.084891303672202, 0.000000000000000 ] # a* - [ 0.065796994713581, 0.084891303672202, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.084919972220673 ] # c*unit_cell: lattice: - [ 15.198262540000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.779769620000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.775792830000000 ] # c points: - symbol: Br # 1 coordinates: [ 0.000000000000000, 0.649798850000000, 0.350258870000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 2 coordinates: [ 0.000000000000000, 0.850201150000000, 0.850258870000000 ] mass: 79.904000 reduced_to: 2 - symbol: Br # 3 coordinates: [ 0.000000000000000, 0.149798850000000, 0.149741130000000 ] mass: 79.904000 reduced_to: 3 - symbol: Br # 4 coordinates: [ 0.000000000000000, 0.350201150000000, 0.649741130000000 ] mass: 79.904000 reduced_to: 4 - symbol: Br # 5 coordinates: [ 0.289711270000000, 0.500000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 6 coordinates: [ 0.210288730000000, 0.500000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 6 - symbol: Br # 7 coordinates: [ 0.710288730000000, 0.500000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 7 - symbol: Br # 8 coordinates: [ 0.789711270000000, 0.500000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 8 - symbol: Br # 9 coordinates: [ 0.880115660000000, 0.207453760000000, 0.427307370000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 10 coordinates: [ 0.119884340000000, 0.292546240000000, 0.927307370000000 ] mass: 79.904000 reduced_to: 10 - symbol: Br # 11 coordinates: [ 0.119884340000000, 0.707453760000000, 0.072692630000000 ] mass: 79.904000 reduced_to: 11 - symbol: Br # 12 coordinates: [ 0.880115660000000, 0.792546240000000, 0.572692630000000 ] mass: 79.904000 reduced_to: 12 - symbol: Br # 13 coordinates: [ 0.619799360000000, 0.572732210000000, 0.707580960000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 14 coordinates: [ 0.880200640000000, 0.427267790000000, 0.207580960000000 ] mass: 79.904000 reduced_to: 14 - symbol: Br # 15 coordinates: [ 0.880200640000000, 0.572732210000000, 0.792419040000000 ] mass: 79.904000 reduced_to: 15 - symbol: Br # 16 coordinates: [ 0.619799360000000, 0.427267790000000, 0.292419040000000 ] mass: 79.904000 reduced_to: 16 - symbol: Br # 17 coordinates: [ 0.380200640000000, 0.427267790000000, 0.292419040000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 18 coordinates: [ 0.119799360000000, 0.572732210000000, 0.792419040000000 ] mass: 79.904000 reduced_to: 18 - symbol: Br # 19 coordinates: [ 0.119799360000000, 0.427267790000000, 0.207580960000000 ] mass: 79.904000 reduced_to: 19 - symbol: Br # 20 coordinates: [ 0.380200640000000, 0.572732210000000, 0.707580960000000 ] mass: 79.904000 reduced_to: 20 - symbol: Br # 21 coordinates: [ 0.119884340000000, 0.207453760000000, 0.427307370000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 22 coordinates: [ 0.880115660000000, 0.292546240000000, 0.927307370000000 ] mass: 79.904000 reduced_to: 22 - symbol: Br # 23 coordinates: [ 0.880115660000000, 0.707453760000000, 0.072692630000000 ] mass: 79.904000 reduced_to: 23 - symbol: Br # 24 coordinates: [ 0.119884340000000, 0.792546240000000, 0.572692630000000 ] mass: 79.904000 reduced_to: 24 - symbol: Br # 25 coordinates: [ 0.500000000000000, 0.149798850000000, 0.350258870000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 26 coordinates: [ 0.500000000000000, 0.350201150000000, 0.850258870000000 ] mass: 79.904000 reduced_to: 2 - symbol: Br # 27 coordinates: [ 0.500000000000000, 0.649798850000000, 0.149741130000000 ] mass: 79.904000 reduced_to: 3 - symbol: Br # 28 coordinates: [ 0.500000000000000, 0.850201150000000, 0.649741130000000 ] mass: 79.904000 reduced_to: 4 - symbol: Br # 29 coordinates: [ 0.789711270000000, 0.000000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 30 coordinates: [ 0.710288730000000, 0.000000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 6 - symbol: Br # 31 coordinates: [ 0.210288730000000, 0.000000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 7 - symbol: Br # 32 coordinates: [ 0.289711270000000, 0.000000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 8 - symbol: Br # 33 coordinates: [ 0.380115660000000, 0.707453760000000, 0.427307370000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 34 coordinates: [ 0.619884340000000, 0.792546240000000, 0.927307370000000 ] mass: 79.904000 reduced_to: 10 - symbol: Br # 35 coordinates: [ 0.619884340000000, 0.207453760000000, 0.072692630000000 ] mass: 79.904000 reduced_to: 11 - symbol: Br # 36 coordinates: [ 0.380115660000000, 0.292546240000000, 0.572692630000000 ] mass: 79.904000 reduced_to: 12 - symbol: Br # 37 coordinates: [ 0.119799360000000, 0.072732210000000, 0.707580960000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 38 coordinates: [ 0.380200640000000, 0.927267790000000, 0.207580960000000 ] mass: 79.904000 reduced_to: 14 - symbol: Br # 39 coordinates: [ 0.380200640000000, 0.072732210000000, 0.792419040000000 ] mass: 79.904000 reduced_to: 15 - symbol: Br # 40 coordinates: [ 0.119799360000000, 0.927267790000000, 0.292419040000000 ] mass: 79.904000 reduced_to: 16 - symbol: Br # 41 coordinates: [ 0.880200640000000, 0.927267790000000, 0.292419040000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 42 coordinates: [ 0.619799360000000, 0.072732210000000, 0.792419040000000 ] mass: 79.904000 reduced_to: 18 - symbol: Br # 43 coordinates: [ 0.619799360000000, 0.927267790000000, 0.207580960000000 ] mass: 79.904000 reduced_to: 19 - symbol: Br # 44 coordinates: [ 0.880200640000000, 0.072732210000000, 0.707580960000000 ] mass: 79.904000 reduced_to: 20 - symbol: Br # 45 coordinates: [ 0.619884340000000, 0.707453760000000, 0.427307370000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 46 coordinates: [ 0.380115660000000, 0.792546240000000, 0.927307370000000 ] mass: 79.904000 reduced_to: 22 - symbol: Br # 47 coordinates: [ 0.380115660000000, 0.207453760000000, 0.072692630000000 ] mass: 79.904000 reduced_to: 23 - symbol: Br # 48 coordinates: [ 0.619884340000000, 0.292546240000000, 0.572692630000000 ] mass: 79.904000 reduced_to: 24 - symbol: Mo # 49 coordinates: [ 0.000000000000000, 0.068181710000000, 0.358598560000000 ] mass: 95.960000 reduced_to: 49 - symbol: Mo # 50 coordinates: [ 0.000000000000000, 0.431818290000000, 0.858598560000000 ] mass: 95.960000 reduced_to: 50 - symbol: Mo # 51 coordinates: [ 0.000000000000000, 0.568181710000000, 0.141401440000000 ] mass: 95.960000 reduced_to: 51 - symbol: Mo # 52 coordinates: [ 0.000000000000000, 0.931818290000000, 0.641401440000000 ] mass: 95.960000 reduced_to: 52 - symbol: Mo # 53 coordinates: [ 0.000000000000000, 0.858608090000000, 0.431867440000000 ] mass: 95.960000 reduced_to: 53 - symbol: Mo # 54 coordinates: [ 0.000000000000000, 0.641391910000000, 0.931867440000000 ] mass: 95.960000 reduced_to: 54 - symbol: Mo # 55 coordinates: [ 0.000000000000000, 0.358608090000000, 0.068132560000000 ] mass: 95.960000 reduced_to: 55 - symbol: Mo # 56 coordinates: [ 0.000000000000000, 0.141391910000000, 0.568132560000000 ] mass: 95.960000 reduced_to: 56 - symbol: Mo # 57 coordinates: [ 0.122114830000000, 0.500000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 57 - symbol: Mo # 58 coordinates: [ 0.377885170000000, 0.500000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 58 - symbol: Mo # 59 coordinates: [ 0.877885170000000, 0.500000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 59 - symbol: Mo # 60 coordinates: [ 0.622114830000000, 0.500000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 60 - symbol: Mo # 61 coordinates: [ 0.500000000000000, 0.568181710000000, 0.358598560000000 ] mass: 95.960000 reduced_to: 49 - symbol: Mo # 62 coordinates: [ 0.500000000000000, 0.931818290000000, 0.858598560000000 ] mass: 95.960000 reduced_to: 50 - symbol: Mo # 63 coordinates: [ 0.500000000000000, 0.068181710000000, 0.141401440000000 ] mass: 95.960000 reduced_to: 51 - symbol: Mo # 64 coordinates: [ 0.500000000000000, 0.431818290000000, 0.641401440000000 ] mass: 95.960000 reduced_to: 52 - symbol: Mo # 65 coordinates: [ 0.500000000000000, 0.358608090000000, 0.431867440000000 ] mass: 95.960000 reduced_to: 53 - symbol: Mo # 66 coordinates: [ 0.500000000000000, 0.141391910000000, 0.931867440000000 ] mass: 95.960000 reduced_to: 54 - symbol: Mo # 67 coordinates: [ 0.500000000000000, 0.858608090000000, 0.068132560000000 ] mass: 95.960000 reduced_to: 55 - symbol: Mo # 68 coordinates: [ 0.500000000000000, 0.641391910000000, 0.568132560000000 ] mass: 95.960000 reduced_to: 56 - symbol: Mo # 69 coordinates: [ 0.622114830000000, 0.000000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 57 - symbol: Mo # 70 coordinates: [ 0.877885170000000, 0.000000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 58 - symbol: Mo # 71 coordinates: [ 0.377885170000000, 0.000000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 59 - symbol: Mo # 72 coordinates: [ 0.122114830000000, 0.000000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 60supercell: lattice: - [ 15.198262540000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 23.559539239999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.775792830000000 ] # c points: - symbol: Br # 1 coordinates: [ 0.000000000000000, 0.324899425000000, 0.350258870000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 2 coordinates: [ 0.000000000000000, 0.824899425000000, 0.350258870000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 3 coordinates: [ 0.000000000000000, 0.425100575000000, 0.850258870000000 ] mass: 79.904000 reduced_to: 3 - symbol: Br # 4 coordinates: [ 0.000000000000000, 0.925100575000000, 0.850258870000000 ] mass: 79.904000 reduced_to: 3 - symbol: Br # 5 coordinates: [ 0.000000000000000, 0.074899425000000, 0.149741130000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 6 coordinates: [ 0.000000000000000, 0.574899425000000, 0.149741130000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 7 coordinates: [ 0.000000000000000, 0.175100575000000, 0.649741130000000 ] mass: 79.904000 reduced_to: 7 - symbol: Br # 8 coordinates: [ 0.000000000000000, 0.675100575000000, 0.649741130000000 ] mass: 79.904000 reduced_to: 7 - symbol: Br # 9 coordinates: [ 0.289711270000000, 0.250000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 10 coordinates: [ 0.289711270000000, 0.750000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 11 coordinates: [ 0.210288730000000, 0.250000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 11 - symbol: Br # 12 coordinates: [ 0.210288730000000, 0.750000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 11 - symbol: Br # 13 coordinates: [ 0.710288730000000, 0.250000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 14 coordinates: [ 0.710288730000000, 0.750000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 15 coordinates: [ 0.789711270000000, 0.250000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 15 - symbol: Br # 16 coordinates: [ 0.789711270000000, 0.750000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 15 - symbol: Br # 17 coordinates: [ 0.880115660000000, 0.103726880000000, 0.427307370000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 18 coordinates: [ 0.880115660000000, 0.603726880000000, 0.427307370000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 19 coordinates: [ 0.119884340000000, 0.146273120000000, 0.927307370000000 ] mass: 79.904000 reduced_to: 19 - symbol: Br # 20 coordinates: [ 0.119884340000000, 0.646273120000000, 0.927307370000000 ] mass: 79.904000 reduced_to: 19 - symbol: Br # 21 coordinates: [ 0.119884340000000, 0.353726880000000, 0.072692630000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 22 coordinates: [ 0.119884340000000, 0.853726880000000, 0.072692630000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 23 coordinates: [ 0.880115660000000, 0.396273120000000, 0.572692630000000 ] mass: 79.904000 reduced_to: 23 - symbol: Br # 24 coordinates: [ 0.880115660000000, 0.896273120000000, 0.572692630000000 ] mass: 79.904000 reduced_to: 23 - symbol: Br # 25 coordinates: [ 0.619799360000000, 0.286366105000000, 0.707580960000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 26 coordinates: [ 0.619799360000000, 0.786366105000000, 0.707580960000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 27 coordinates: [ 0.880200640000000, 0.213633895000000, 0.207580960000000 ] mass: 79.904000 reduced_to: 27 - symbol: Br # 28 coordinates: [ 0.880200640000000, 0.713633895000000, 0.207580960000000 ] mass: 79.904000 reduced_to: 27 - symbol: Br # 29 coordinates: [ 0.880200640000000, 0.286366105000000, 0.792419040000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 30 coordinates: [ 0.880200640000000, 0.786366105000000, 0.792419040000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 31 coordinates: [ 0.619799360000000, 0.213633895000000, 0.292419040000000 ] mass: 79.904000 reduced_to: 31 - symbol: Br # 32 coordinates: [ 0.619799360000000, 0.713633895000000, 0.292419040000000 ] mass: 79.904000 reduced_to: 31 - symbol: Br # 33 coordinates: [ 0.380200640000000, 0.213633895000000, 0.292419040000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 34 coordinates: [ 0.380200640000000, 0.713633895000000, 0.292419040000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 35 coordinates: [ 0.119799360000000, 0.286366105000000, 0.792419040000000 ] mass: 79.904000 reduced_to: 35 - symbol: Br # 36 coordinates: [ 0.119799360000000, 0.786366105000000, 0.792419040000000 ] mass: 79.904000 reduced_to: 35 - symbol: Br # 37 coordinates: [ 0.119799360000000, 0.213633895000000, 0.207580960000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 38 coordinates: [ 0.119799360000000, 0.713633895000000, 0.207580960000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 39 coordinates: [ 0.380200640000000, 0.286366105000000, 0.707580960000000 ] mass: 79.904000 reduced_to: 39 - symbol: Br # 40 coordinates: [ 0.380200640000000, 0.786366105000000, 0.707580960000000 ] mass: 79.904000 reduced_to: 39 - symbol: Br # 41 coordinates: [ 0.119884340000000, 0.103726880000000, 0.427307370000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 42 coordinates: [ 0.119884340000000, 0.603726880000000, 0.427307370000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 43 coordinates: [ 0.880115660000000, 0.146273120000000, 0.927307370000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 44 coordinates: [ 0.880115660000000, 0.646273120000000, 0.927307370000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 45 coordinates: [ 0.880115660000000, 0.353726880000000, 0.072692630000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 46 coordinates: [ 0.880115660000000, 0.853726880000000, 0.072692630000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 47 coordinates: [ 0.119884340000000, 0.396273120000000, 0.572692630000000 ] mass: 79.904000 reduced_to: 47 - symbol: Br # 48 coordinates: [ 0.119884340000000, 0.896273120000000, 0.572692630000000 ] mass: 79.904000 reduced_to: 47 - symbol: Br # 49 coordinates: [ 0.500000000000000, 0.074899425000000, 0.350258870000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 50 coordinates: [ 0.500000000000000, 0.574899425000000, 0.350258870000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 51 coordinates: [ 0.500000000000000, 0.175100575000000, 0.850258870000000 ] mass: 79.904000 reduced_to: 3 - symbol: Br # 52 coordinates: [ 0.500000000000000, 0.675100575000000, 0.850258870000000 ] mass: 79.904000 reduced_to: 3 - symbol: Br # 53 coordinates: [ 0.500000000000000, 0.324899425000000, 0.149741130000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 54 coordinates: [ 0.500000000000000, 0.824899425000000, 0.149741130000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 55 coordinates: [ 0.500000000000000, 0.425100575000000, 0.649741130000000 ] mass: 79.904000 reduced_to: 7 - symbol: Br # 56 coordinates: [ 0.500000000000000, 0.925100575000000, 0.649741130000000 ] mass: 79.904000 reduced_to: 7 - symbol: Br # 57 coordinates: [ 0.789711270000000, 0.000000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 58 coordinates: [ 0.789711270000000, 0.500000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 59 coordinates: [ 0.710288730000000, 0.000000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 11 - symbol: Br # 60 coordinates: [ 0.710288730000000, 0.500000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 11 - symbol: Br # 61 coordinates: [ 0.210288730000000, 0.000000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 62 coordinates: [ 0.210288730000000, 0.500000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 63 coordinates: [ 0.289711270000000, 0.000000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 15 - symbol: Br # 64 coordinates: [ 0.289711270000000, 0.500000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 15 - symbol: Br # 65 coordinates: [ 0.380115660000000, 0.353726880000000, 0.427307370000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 66 coordinates: [ 0.380115660000000, 0.853726880000000, 0.427307370000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 67 coordinates: [ 0.619884340000000, 0.396273120000000, 0.927307370000000 ] mass: 79.904000 reduced_to: 19 - symbol: Br # 68 coordinates: [ 0.619884340000000, 0.896273120000000, 0.927307370000000 ] mass: 79.904000 reduced_to: 19 - symbol: Br # 69 coordinates: [ 0.619884340000000, 0.103726880000000, 0.072692630000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 70 coordinates: [ 0.619884340000000, 0.603726880000000, 0.072692630000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 71 coordinates: [ 0.380115660000000, 0.146273120000000, 0.572692630000000 ] mass: 79.904000 reduced_to: 23 - symbol: Br # 72 coordinates: [ 0.380115660000000, 0.646273120000000, 0.572692630000000 ] mass: 79.904000 reduced_to: 23 - symbol: Br # 73 coordinates: [ 0.119799360000000, 0.036366105000000, 0.707580960000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 74 coordinates: [ 0.119799360000000, 0.536366105000000, 0.707580960000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 75 coordinates: [ 0.380200640000000, 0.463633895000000, 0.207580960000000 ] mass: 79.904000 reduced_to: 27 - symbol: Br # 76 coordinates: [ 0.380200640000000, 0.963633895000000, 0.207580960000000 ] mass: 79.904000 reduced_to: 27 - symbol: Br # 77 coordinates: [ 0.380200640000000, 0.036366105000000, 0.792419040000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 78 coordinates: [ 0.380200640000000, 0.536366105000000, 0.792419040000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 79 coordinates: [ 0.119799360000000, 0.463633895000000, 0.292419040000000 ] mass: 79.904000 reduced_to: 31 - symbol: Br # 80 coordinates: [ 0.119799360000000, 0.963633895000000, 0.292419040000000 ] mass: 79.904000 reduced_to: 31 - symbol: Br # 81 coordinates: [ 0.880200640000000, 0.463633895000000, 0.292419040000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 82 coordinates: [ 0.880200640000000, 0.963633895000000, 0.292419040000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 83 coordinates: [ 0.619799360000000, 0.036366105000000, 0.792419040000000 ] mass: 79.904000 reduced_to: 35 - symbol: Br # 84 coordinates: [ 0.619799360000000, 0.536366105000000, 0.792419040000000 ] mass: 79.904000 reduced_to: 35 - symbol: Br # 85 coordinates: [ 0.619799360000000, 0.463633895000000, 0.207580960000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 86 coordinates: [ 0.619799360000000, 0.963633895000000, 0.207580960000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 87 coordinates: [ 0.880200640000000, 0.036366105000000, 0.707580960000000 ] mass: 79.904000 reduced_to: 39 - symbol: Br # 88 coordinates: [ 0.880200640000000, 0.536366105000000, 0.707580960000000 ] mass: 79.904000 reduced_to: 39 - symbol: Br # 89 coordinates: [ 0.619884340000000, 0.353726880000000, 0.427307370000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 90 coordinates: [ 0.619884340000000, 0.853726880000000, 0.427307370000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 91 coordinates: [ 0.380115660000000, 0.396273120000000, 0.927307370000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 92 coordinates: [ 0.380115660000000, 0.896273120000000, 0.927307370000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 93 coordinates: [ 0.380115660000000, 0.103726880000000, 0.072692630000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 94 coordinates: [ 0.380115660000000, 0.603726880000000, 0.072692630000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 95 coordinates: [ 0.619884340000000, 0.146273120000000, 0.572692630000000 ] mass: 79.904000 reduced_to: 47 - symbol: Br # 96 coordinates: [ 0.619884340000000, 0.646273120000000, 0.572692630000000 ] mass: 79.904000 reduced_to: 47 - symbol: Mo # 97 coordinates: [ 0.000000000000000, 0.034090855000000, 0.358598560000000 ] mass: 95.960000 reduced_to: 97 - symbol: Mo # 98 coordinates: [ 0.000000000000000, 0.534090855000000, 0.358598560000000 ] mass: 95.960000 reduced_to: 97 - symbol: Mo # 99 coordinates: [ 0.000000000000000, 0.215909145000000, 0.858598560000000 ] mass: 95.960000 reduced_to: 99 - symbol: Mo # 100 coordinates: [ 0.000000000000000, 0.715909145000000, 0.858598560000000 ] mass: 95.960000 reduced_to: 99 - symbol: Mo # 101 coordinates: [ 0.000000000000000, 0.284090855000000, 0.141401440000000 ] mass: 95.960000 reduced_to: 101 - symbol: Mo # 102 coordinates: [ 0.000000000000000, 0.784090855000000, 0.141401440000000 ] mass: 95.960000 reduced_to: 101 - symbol: Mo # 103 coordinates: [ 0.000000000000000, 0.465909145000000, 0.641401440000000 ] mass: 95.960000 reduced_to: 103 - symbol: Mo # 104 coordinates: [ 0.000000000000000, 0.965909145000000, 0.641401440000000 ] mass: 95.960000 reduced_to: 103 - symbol: Mo # 105 coordinates: [ 0.000000000000000, 0.429304045000000, 0.431867440000000 ] mass: 95.960000 reduced_to: 105 - symbol: Mo # 106 coordinates: [ 0.000000000000000, 0.929304045000000, 0.431867440000000 ] mass: 95.960000 reduced_to: 105 - symbol: Mo # 107 coordinates: [ 0.000000000000000, 0.320695955000000, 0.931867440000000 ] mass: 95.960000 reduced_to: 107 - symbol: Mo # 108 coordinates: [ 0.000000000000000, 0.820695955000000, 0.931867440000000 ] mass: 95.960000 reduced_to: 107 - symbol: Mo # 109 coordinates: [ 0.000000000000000, 0.179304045000000, 0.068132560000000 ] mass: 95.960000 reduced_to: 109 - symbol: Mo # 110 coordinates: [ 0.000000000000000, 0.679304045000000, 0.068132560000000 ] mass: 95.960000 reduced_to: 109 - symbol: Mo # 111 coordinates: [ 0.000000000000000, 0.070695955000000, 0.568132560000000 ] mass: 95.960000 reduced_to: 111 - symbol: Mo # 112 coordinates: [ 0.000000000000000, 0.570695955000000, 0.568132560000000 ] mass: 95.960000 reduced_to: 111 - symbol: Mo # 113 coordinates: [ 0.122114830000000, 0.250000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 113 - symbol: Mo # 114 coordinates: [ 0.122114830000000, 0.750000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 113 - symbol: Mo # 115 coordinates: [ 0.377885170000000, 0.250000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 115 - symbol: Mo # 116 coordinates: [ 0.377885170000000, 0.750000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 115 - symbol: Mo # 117 coordinates: [ 0.877885170000000, 0.250000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 117 - symbol: Mo # 118 coordinates: [ 0.877885170000000, 0.750000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 117 - symbol: Mo # 119 coordinates: [ 0.622114830000000, 0.250000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 119 - symbol: Mo # 120 coordinates: [ 0.622114830000000, 0.750000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 119 - symbol: Mo # 121 coordinates: [ 0.500000000000000, 0.284090855000000, 0.358598560000000 ] mass: 95.960000 reduced_to: 97 - symbol: Mo # 122 coordinates: [ 0.500000000000000, 0.784090855000000, 0.358598560000000 ] mass: 95.960000 reduced_to: 97 - symbol: Mo # 123 coordinates: [ 0.500000000000000, 0.465909145000000, 0.858598560000000 ] mass: 95.960000 reduced_to: 99 - symbol: Mo # 124 coordinates: [ 0.500000000000000, 0.965909145000000, 0.858598560000000 ] mass: 95.960000 reduced_to: 99 - symbol: Mo # 125 coordinates: [ 0.500000000000000, 0.034090855000000, 0.141401440000000 ] mass: 95.960000 reduced_to: 101 - symbol: Mo # 126 coordinates: [ 0.500000000000000, 0.534090855000000, 0.141401440000000 ] mass: 95.960000 reduced_to: 101 - symbol: Mo # 127 coordinates: [ 0.500000000000000, 0.215909145000000, 0.641401440000000 ] mass: 95.960000 reduced_to: 103 - symbol: Mo # 128 coordinates: [ 0.500000000000000, 0.715909145000000, 0.641401440000000 ] mass: 95.960000 reduced_to: 103 - symbol: Mo # 129 coordinates: [ 0.500000000000000, 0.179304045000000, 0.431867440000000 ] mass: 95.960000 reduced_to: 105 - symbol: Mo # 130 coordinates: [ 0.500000000000000, 0.679304045000000, 0.431867440000000 ] mass: 95.960000 reduced_to: 105 - symbol: Mo # 131 coordinates: [ 0.500000000000000, 0.070695955000000, 0.931867440000000 ] mass: 95.960000 reduced_to: 107 - symbol: Mo # 132 coordinates: [ 0.500000000000000, 0.570695955000000, 0.931867440000000 ] mass: 95.960000 reduced_to: 107 - symbol: Mo # 133 coordinates: [ 0.500000000000000, 0.429304045000000, 0.068132560000000 ] mass: 95.960000 reduced_to: 109 - symbol: Mo # 134 coordinates: [ 0.500000000000000, 0.929304045000000, 0.068132560000000 ] mass: 95.960000 reduced_to: 109 - symbol: Mo # 135 coordinates: [ 0.500000000000000, 0.320695955000000, 0.568132560000000 ] mass: 95.960000 reduced_to: 111 - symbol: Mo # 136 coordinates: [ 0.500000000000000, 0.820695955000000, 0.568132560000000 ] mass: 95.960000 reduced_to: 111 - symbol: Mo # 137 coordinates: [ 0.622114830000000, 0.000000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 113 - symbol: Mo # 138 coordinates: [ 0.622114830000000, 0.500000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 113 - symbol: Mo # 139 coordinates: [ 0.877885170000000, 0.000000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 115 - symbol: Mo # 140 coordinates: [ 0.877885170000000, 0.500000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 115 - symbol: Mo # 141 coordinates: [ 0.377885170000000, 0.000000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 117 - symbol: Mo # 142 coordinates: [ 0.377885170000000, 0.500000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 117 - symbol: Mo # 143 coordinates: [ 0.122114830000000, 0.000000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 119 - symbol: Mo # 144 coordinates: [ 0.122114830000000, 0.500000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 119displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0102622300000000, 0.0000463700000000, -0.0000593800000000 ] - [ -0.0000002200000000, -0.0000220100000000, 0.0000104800000000 ] - [ -0.0000092600000000, 0.0000246800000000, 0.0000097300000000 ] - [ 0.0000000800000000, 0.0000227900000000, 0.0000100400000000 ] - [ -0.0000038000000000, -0.0000221400000000, -0.0000110700000000 ] - [ -0.0000037500000000, -0.0000224700000000, -0.0000112200000000 ] - [ -0.0000425400000000, 0.0000221400000000, -0.0000105100000000 ] - [ -0.0000210700000000, 0.0000223700000000, -0.0000104200000000 ] - [ 0.0000297400000000, -0.0000467300000000, -0.0000967300000000 ] - [ 0.0002198100000000, -0.0000001000000000, -0.0000004700000000 ] - [ 0.0002733300000000, -0.0002255100000000, 0.0002307000000000 ] - [ -0.0002226900000000, -0.0000038200000000, -0.0000006100000000 ] - [ -0.0004073400000000, 0.0000466900000000, 0.0000962200000000 ] - [ -0.0002198200000000, 0.0000001400000000, 0.0000006200000000 ] - [ 0.0006989600000000, 0.0002174100000000, -0.0002225600000000 ] - [ 0.0002167800000000, 0.0000038200000000, 0.0000008700000000 ] - [ -0.0002702600000000, 0.0002356000000000, 0.0001743700000000 ] - [ -0.0003669000000000, 0.0003278600000000, 0.0002072400000000 ] - [ 0.0002318000000000, -0.0002749400000000, 0.0002130800000000 ] - [ 0.0002735800000000, -0.0002382400000000, 0.0001675500000000 ] - [ 0.0004268200000000, 0.0002441300000000, -0.0017360500000000 ] - [ 0.0002738500000000, 0.0002367200000000, -0.0001644100000000 ] - [ 0.0000300500000000, -0.0016081300000000, -0.0017743500000000 ] - [ -0.0002727500000000, -0.0002373100000000, -0.0001643100000000 ] - [ 0.0002030400000000, -0.0002033900000000, 0.0001978000000000 ] - [ 0.0002010200000000, -0.0002049200000000, 0.0001859000000000 ] - [ 0.0001088800000000, 0.0018144000000000, 0.0015460100000000 ] - [ -0.0002020200000000, 0.0002042800000000, 0.0001875600000000 ] - [ -0.0002904400000000, -0.0002594200000000, -0.0002775100000000 ] - [ -0.0002020400000000, -0.0002038000000000, -0.0001848700000000 ] - [ 0.0002081500000000, 0.0002112100000000, -0.0001954900000000 ] - [ 0.0002014800000000, 0.0002042200000000, -0.0001855100000000 ] - [ -0.0001959200000000, 0.0001975000000000, -0.0001761600000000 ] - [ -0.0002027400000000, 0.0002043700000000, -0.0001863000000000 ] - [ 0.0001136700000000, -0.0001504300000000, -0.0000934700000000 ] - [ 0.0002018400000000, -0.0002047100000000, -0.0001870500000000 ] - [ 0.0005122400000000, -0.0014191300000000, -0.0011862300000000 ] - [ 0.0002017400000000, 0.0002038900000000, 0.0001843100000000 ] - [ -0.0002008400000000, -0.0002037800000000, 0.0001738500000000 ] - [ -0.0002028200000000, -0.0002034200000000, 0.0001859400000000 ] - [ 0.0002768400000000, 0.0002370000000000, 0.0001551000000000 ] - [ 0.0001816500000000, 0.0001448600000000, 0.0001231200000000 ] - [ -0.0003153900000000, -0.0001969900000000, 0.0001164500000000 ] - [ -0.0002730300000000, -0.0002344000000000, 0.0001623400000000 ] - [ -0.0001213900000000, 0.0002291000000000, 0.0013899600000000 ] - [ -0.0002733800000000, 0.0002367600000000, -0.0001645500000000 ] - [ 0.0005770700000000, 0.0011481000000000, 0.0014597300000000 ] - [ 0.0002748400000000, -0.0002352800000000, -0.0001647000000000 ] - [ -0.0000003000000000, -0.0000222600000000, 0.0000106000000000 ] - [ -0.0000003900000000, -0.0000222600000000, 0.0000105100000000 ] - [ 0.0000000600000000, 0.0000226600000000, 0.0000100400000000 ] - [ -0.0000010600000000, 0.0000227700000000, 0.0000099500000000 ] - [ 0.0000209900000000, -0.0000225200000000, -0.0000098300000000 ] - [ -0.0000000300000000, -0.0000224600000000, -0.0000102900000000 ] - [ 0.0000019800000000, 0.0000222900000000, -0.0000105300000000 ] - [ 0.0000000900000000, 0.0000223600000000, -0.0000101800000000 ] - [ 0.0002226200000000, 0.0000014000000000, -0.0000002700000000 ] - [ 0.0002506600000000, -0.0000053800000000, 0.0000042500000000 ] - [ -0.0002204800000000, -0.0000003100000000, 0.0000005400000000 ] - [ -0.0003992900000000, -0.0001068000000000, -0.0000605000000000 ] - [ -0.0002171500000000, -0.0000012300000000, 0.0000003500000000 ] - [ -0.0001875100000000, 0.0000055100000000, -0.0000045700000000 ] - [ 0.0002190000000000, 0.0000004500000000, -0.0000004900000000 ] - [ 0.0000375300000000, 0.0001075700000000, 0.0000607700000000 ] - [ -0.0002656700000000, 0.0002215300000000, 0.0001542000000000 ] - [ -0.0002740800000000, 0.0002355000000000, 0.0001652500000000 ] - [ 0.0002716400000000, -0.0002445100000000, 0.0001617900000000 ] - [ 0.0002733700000000, -0.0002365300000000, 0.0001646300000000 ] - [ 0.0002728100000000, 0.0002384200000000, -0.0001667700000000 ] - [ 0.0002756100000000, 0.0002397800000000, -0.0001644500000000 ] - [ -0.0002628500000000, -0.0002346200000000, -0.0001678300000000 ] - [ -0.0002746200000000, -0.0002358700000000, -0.0001624800000000 ] - [ 0.0002032800000000, -0.0002053700000000, 0.0001868700000000 ] - [ 0.0001600200000000, -0.0002533600000000, 0.0002250500000000 ] - [ -0.0001998300000000, 0.0002038500000000, 0.0001729200000000 ] - [ -0.0002020300000000, 0.0002042900000000, 0.0001852700000000 ] - [ -0.0002016700000000, -0.0002048300000000, -0.0001856800000000 ] - [ -0.0001999400000000, -0.0002031400000000, -0.0001844300000000 ] - [ 0.0003546000000000, 0.0017792200000000, -0.0001956400000000 ] - [ 0.0002018100000000, 0.0002049400000000, -0.0001862800000000 ] - [ -0.0000512800000000, -0.0013533400000000, -0.0001763800000000 ] - [ -0.0002027800000000, 0.0002037500000000, -0.0001855200000000 ] - [ 0.0002019300000000, -0.0002041800000000, -0.0001856100000000 ] - [ 0.0002038100000000, -0.0002060900000000, -0.0001871400000000 ] - [ 0.0002045100000000, 0.0002053600000000, 0.0001992200000000 ] - [ 0.0002019100000000, 0.0002045700000000, 0.0001864000000000 ] - [ -0.0002004800000000, -0.0002033300000000, 0.0001838500000000 ] - [ -0.0002437000000000, -0.0001562200000000, 0.0001454000000000 ] - [ 0.0002816400000000, 0.0002531500000000, 0.0001756100000000 ] - [ 0.0002728400000000, 0.0002371100000000, 0.0001645900000000 ] - [ -0.0002757700000000, -0.0002278700000000, 0.0001668600000000 ] - [ -0.0002734600000000, -0.0002356500000000, 0.0001646200000000 ] - [ -0.0002746300000000, 0.0002345900000000, -0.0001623400000000 ] - [ -0.0002720400000000, 0.0002332600000000, -0.0001641500000000 ] - [ 0.0002842500000000, -0.0002380700000000, -0.0001620100000000 ] - [ 0.0002727900000000, -0.0002369000000000, -0.0001667400000000 ] - [ 0.0000013400000000, -0.0001147300000000, 0.0001267200000000 ] - [ 0.0002607300000000, -0.0001125800000000, 0.0001255500000000 ] - [ 0.0002003200000000, 0.0001141100000000, 0.0001259800000000 ] - [ -0.0000175000000000, 0.0001153700000000, 0.0001255200000000 ] - [ 0.0061986200000000, -0.0001164800000000, -0.0000476800000000 ] - [ -0.0000005800000000, -0.0001145700000000, -0.0001281900000000 ] - [ -0.0006854500000000, 0.0001161800000000, -0.0001286900000000 ] - [ 0.0000003500000000, 0.0001161800000000, -0.0001258000000000 ] - [ 0.0062093800000000, 0.0001741400000000, -0.0001454600000000 ] - [ -0.0000020600000000, 0.0002554600000000, -0.0001460000000000 ] - [ 0.0002608300000000, -0.0002555200000000, -0.0001490400000000 ] - [ -0.0000031100000000, -0.0002540800000000, -0.0001472900000000 ] - [ -0.0006821500000000, 0.0002577500000000, 0.0001454400000000 ] - [ -0.0000075400000000, 0.0002570300000000, 0.0001447000000000 ] - [ -0.0000274100000000, -0.0002540300000000, 0.0001465600000000 ] - [ 0.0002158600000000, -0.0002546100000000, 0.0001475700000000 ] - [ -0.0007031200000000, 0.0004661800000000, -0.0000015900000000 ] - [ 0.0000472300000000, -0.0000015600000000, -0.0000011600000000 ] - [ -0.0001448800000000, -0.0000752500000000, 0.0001025500000000 ] - [ -0.0000421900000000, 0.0000031100000000, -0.0000021500000000 ] - [ -0.0008004700000000, -0.0004611700000000, 0.0000087200000000 ] - [ -0.0000483700000000, 0.0000027800000000, -0.0000000400000000 ] - [ -0.0000471800000000, 0.0000720700000000, -0.0001014700000000 ] - [ 0.0000523100000000, -0.0000032300000000, 0.0000013600000000 ] - [ 0.0000017800000000, -0.0001166200000000, 0.0001256100000000 ] - [ 0.0000010700000000, -0.0001153400000000, 0.0001263100000000 ] - [ 0.0000051400000000, 0.0001146700000000, 0.0001277100000000 ] - [ -0.0000003600000000, 0.0001146300000000, 0.0001272000000000 ] - [ 0.0000053900000000, -0.0001149500000000, -0.0001244700000000 ] - [ -0.0000127600000000, -0.0001155700000000, -0.0001258700000000 ] - [ 0.0000155100000000, 0.0001143700000000, -0.0001267200000000 ] - [ 0.0000070700000000, 0.0001153300000000, -0.0001272900000000 ] - [ 0.0000166600000000, 0.0002554300000000, -0.0001461700000000 ] - [ 0.0000037700000000, 0.0002533100000000, -0.0001478700000000 ] - [ 0.0000027000000000, -0.0002557200000000, -0.0001451600000000 ] - [ 0.0000072400000000, -0.0002557100000000, -0.0001457500000000 ] - [ -0.0000173100000000, 0.0002532200000000, 0.0001469600000000 ] - [ 0.0000002500000000, 0.0002543700000000, 0.0001471500000000 ] - [ -0.0000088000000000, -0.0002588700000000, 0.0001444200000000 ] - [ 0.0000005500000000, -0.0002539300000000, 0.0001469500000000 ] - [ 0.0000474300000000, 0.0000026000000000, 0.0000018400000000 ] - [ 0.0000083200000000, -0.0000051700000000, -0.0000028900000000 ] - [ -0.0000499100000000, 0.0000072100000000, 0.0000016200000000 ] - [ -0.0008102600000000, -0.0000149600000000, 0.0004615800000000 ] - [ -0.0000480200000000, -0.0000030000000000, -0.0000008900000000 ] - [ -0.0000894700000000, 0.0000041400000000, 0.0000037800000000 ] - [ 0.0000511600000000, -0.0000062500000000, -0.0000015800000000 ] - [ -0.0007154100000000, 0.0000077200000000, -0.0004670700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0627466400000000, -0.0280687300000000 ] - [ 0.0000000000000000, 0.0002439900000000, 0.0002653400000000 ] - [ 0.0000000000000000, -0.0021086300000000, 0.0012345700000000 ] - [ 0.0000000000000000, 0.0002823000000000, -0.0002483000000000 ] - [ 0.0000000000000000, 0.0003713800000000, -0.0003353200000000 ] - [ 0.0000000000000000, 0.0003702700000000, -0.0006534300000000 ] - [ 0.0000000000000000, 0.0002930100000000, 0.0004017400000000 ] - [ 0.0000000000000000, 0.0005407800000000, 0.0004983200000000 ] - [ -0.0006001000000000, -0.0001410300000000, -0.0001084200000000 ] - [ 0.0003269900000000, 0.0000294700000000, -0.0000094100000000 ] - [ -0.0008255000000000, -0.0000481000000000, -0.0000998200000000 ] - [ -0.0000957300000000, 0.0001071500000000, 0.0000225600000000 ] - [ 0.0006001000000000, -0.0001410300000000, -0.0001084200000000 ] - [ -0.0003269900000000, 0.0000294700000000, -0.0000094100000000 ] - [ 0.0008255000000000, -0.0000481000000000, -0.0000998200000000 ] - [ 0.0000957300000000, 0.0001071500000000, 0.0000225600000000 ] - [ -0.0003514700000000, 0.0003462600000000, 0.0001563100000000 ] - [ -0.0005386800000000, 0.0004937900000000, 0.0000407500000000 ] - [ 0.0000823000000000, -0.0001583100000000, 0.0002282700000000 ] - [ 0.0002242000000000, -0.0001361300000000, 0.0001612400000000 ] - [ 0.0002092300000000, -0.0004779900000000, -0.0008124500000000 ] - [ 0.0003324000000000, 0.0003107900000000, -0.0001318700000000 ] - [ -0.0018414300000000, 0.0005287300000000, 0.0019937700000000 ] - [ -0.0002230100000000, -0.0001555600000000, -0.0002006100000000 ] - [ 0.0001937300000000, -0.0001853100000000, 0.0001384100000000 ] - [ 0.0002256000000000, -0.0001985700000000, 0.0002068900000000 ] - [ 0.0012024400000000, 0.0024724700000000, 0.0028476900000000 ] - [ -0.0001577100000000, 0.0002118000000000, 0.0001449000000000 ] - [ 0.0000521900000000, -0.0003451100000000, 0.0003027800000000 ] - [ -0.0002361000000000, -0.0001857400000000, -0.0002132300000000 ] - [ 0.0002318900000000, 0.0001626300000000, -0.0001775500000000 ] - [ 0.0001906500000000, 0.0002213600000000, -0.0001660600000000 ] - [ -0.0002318900000000, 0.0001626300000000, -0.0001775500000000 ] - [ -0.0001906500000000, 0.0002213600000000, -0.0001660600000000 ] - [ -0.0000521900000000, -0.0003451100000000, 0.0003027800000000 ] - [ 0.0002361000000000, -0.0001857400000000, -0.0002132300000000 ] - [ -0.0012024400000000, 0.0024724700000000, 0.0028476900000000 ] - [ 0.0001577100000000, 0.0002118000000000, 0.0001449000000000 ] - [ -0.0001937300000000, -0.0001853100000000, 0.0001384100000000 ] - [ -0.0002256000000000, -0.0001985700000000, 0.0002068900000000 ] - [ 0.0003514700000000, 0.0003462600000000, 0.0001563100000000 ] - [ 0.0005386800000000, 0.0004937900000000, 0.0000407500000000 ] - [ -0.0000823000000000, -0.0001583100000000, 0.0002282700000000 ] - [ -0.0002242000000000, -0.0001361300000000, 0.0001612400000000 ] - [ -0.0002092300000000, -0.0004779900000000, -0.0008124500000000 ] - [ -0.0003324000000000, 0.0003107900000000, -0.0001318700000000 ] - [ 0.0018414300000000, 0.0005287300000000, 0.0019937700000000 ] - [ 0.0002230100000000, -0.0001555600000000, -0.0002006100000000 ] - [ 0.0000000000000000, 0.0000232000000000, 0.0000530200000000 ] - [ 0.0000000000000000, 0.0000237000000000, -0.0000354100000000 ] - [ 0.0000000000000000, 0.0000830600000000, 0.0000110900000000 ] - [ 0.0000000000000000, 0.0000241800000000, -0.0000030200000000 ] - [ 0.0000000000000000, -0.0003047800000000, 0.0001669500000000 ] - [ 0.0000000000000000, 0.0001560200000000, -0.0001668500000000 ] - [ 0.0000000000000000, -0.0002352600000000, -0.0001542600000000 ] - [ 0.0000000000000000, 0.0001969300000000, 0.0001514000000000 ] - [ 0.0003071900000000, 0.0000977500000000, -0.0000174800000000 ] - [ 0.0000775500000000, -0.0001262400000000, 0.0000298200000000 ] - [ -0.0001242700000000, 0.0000383400000000, 0.0000075800000000 ] - [ -0.0012736200000000, -0.0002385300000000, -0.0000975800000000 ] - [ -0.0003071900000000, 0.0000977500000000, -0.0000174800000000 ] - [ -0.0000775500000000, -0.0001262400000000, 0.0000298200000000 ] - [ 0.0001242700000000, 0.0000383400000000, 0.0000075800000000 ] - [ 0.0012736200000000, -0.0002385300000000, -0.0000975800000000 ] - [ -0.0002197200000000, 0.0001726200000000, 0.0002362800000000 ] - [ -0.0002995500000000, 0.0002794100000000, 0.0001359300000000 ] - [ 0.0003211800000000, -0.0002610400000000, 0.0001034600000000 ] - [ 0.0002505700000000, -0.0001890100000000, 0.0001927500000000 ] - [ 0.0002917500000000, 0.0002736200000000, -0.0001205600000000 ] - [ 0.0002779300000000, 0.0001818900000000, -0.0001783900000000 ] - [ -0.0002763100000000, -0.0002902200000000, -0.0001491400000000 ] - [ -0.0002585700000000, -0.0002035300000000, -0.0002158300000000 ] - [ 0.0002433700000000, -0.0001937100000000, 0.0002161600000000 ] - [ 0.0004751200000000, -0.0000510900000000, 0.0005519500000000 ] - [ -0.0002125200000000, 0.0002416100000000, 0.0002229600000000 ] - [ -0.0001821400000000, 0.0002113900000000, 0.0001617300000000 ] - [ -0.0002178100000000, -0.0001889200000000, -0.0002019900000000 ] - [ -0.0001752900000000, -0.0002594100000000, -0.0001871200000000 ] - [ 0.0013602600000000, 0.0024443300000000, -0.0004253700000000 ] - [ 0.0001718400000000, 0.0002205500000000, -0.0001556700000000 ] - [ -0.0013602600000000, 0.0024443300000000, -0.0004253700000000 ] - [ -0.0001718400000000, 0.0002205500000000, -0.0001556700000000 ] - [ 0.0002178100000000, -0.0001889200000000, -0.0002019900000000 ] - [ 0.0001752900000000, -0.0002594100000000, -0.0001871200000000 ] - [ 0.0002125200000000, 0.0002416100000000, 0.0002229600000000 ] - [ 0.0001821400000000, 0.0002113900000000, 0.0001617300000000 ] - [ -0.0002433700000000, -0.0001937100000000, 0.0002161600000000 ] - [ -0.0004751200000000, -0.0000510900000000, 0.0005519500000000 ] - [ 0.0002197200000000, 0.0001726200000000, 0.0002362800000000 ] - [ 0.0002995500000000, 0.0002794100000000, 0.0001359300000000 ] - [ -0.0003211800000000, -0.0002610400000000, 0.0001034600000000 ] - [ -0.0002505700000000, -0.0001890100000000, 0.0001927500000000 ] - [ -0.0002917500000000, 0.0002736200000000, -0.0001205600000000 ] - [ -0.0002779300000000, 0.0001818900000000, -0.0001783900000000 ] - [ 0.0002763100000000, -0.0002902200000000, -0.0001491400000000 ] - [ 0.0002585700000000, -0.0002035300000000, -0.0002158300000000 ] - [ 0.0000000000000000, -0.0002826500000000, 0.0003618100000000 ] - [ 0.0000000000000000, 0.0013276400000000, 0.0008611400000000 ] - [ 0.0000000000000000, -0.0000312900000000, -0.0013158800000000 ] - [ 0.0000000000000000, -0.0000203900000000, -0.0002110100000000 ] - [ 0.0000000000000000, 0.0139172000000000, 0.0043956000000000 ] - [ 0.0000000000000000, -0.0002564600000000, -0.0003009500000000 ] - [ 0.0000000000000000, 0.0014138200000000, 0.0007973400000000 ] - [ 0.0000000000000000, -0.0000185100000000, 0.0000301300000000 ] - [ 0.0000000000000000, 0.0370506600000000, 0.0081883600000000 ] - [ 0.0000000000000000, -0.0000205000000000, -0.0002072300000000 ] - [ 0.0000000000000000, -0.0000361500000000, 0.0012132900000000 ] - [ 0.0000000000000000, -0.0005361900000000, -0.0000796200000000 ] - [ 0.0000000000000000, -0.0005895900000000, 0.0010891100000000 ] - [ 0.0000000000000000, -0.0000999300000000, 0.0002608800000000 ] - [ 0.0000000000000000, -0.0005546500000000, 0.0001005700000000 ] - [ 0.0000000000000000, -0.0019927700000000, -0.0009002600000000 ] - [ 0.0002211000000000, 0.0002525400000000, 0.0010020200000000 ] - [ -0.0000519500000000, -0.0001061000000000, 0.0000650800000000 ] - [ 0.0002536500000000, 0.0001895100000000, -0.0001745500000000 ] - [ -0.0001590700000000, -0.0000707200000000, 0.0000149000000000 ] - [ -0.0002211000000000, 0.0002525400000000, 0.0010020200000000 ] - [ 0.0000519500000000, -0.0001061000000000, 0.0000650800000000 ] - [ -0.0002536500000000, 0.0001895100000000, -0.0001745500000000 ] - [ 0.0001590700000000, -0.0000707200000000, 0.0000149000000000 ] - [ 0.0000000000000000, 0.0000798600000000, 0.0001806700000000 ] - [ 0.0000000000000000, -0.0002143900000000, 0.0001973800000000 ] - [ 0.0000000000000000, 0.0003012500000000, 0.0000890400000000 ] - [ 0.0000000000000000, 0.0000170900000000, 0.0000540100000000 ] - [ 0.0000000000000000, -0.0002084400000000, -0.0001107500000000 ] - [ 0.0000000000000000, -0.0001258800000000, -0.0000324700000000 ] - [ 0.0000000000000000, 0.0001075500000000, -0.0001521400000000 ] - [ 0.0000000000000000, 0.0000287200000000, -0.0001702100000000 ] - [ 0.0000000000000000, 0.0001533000000000, -0.0000787800000000 ] - [ 0.0000000000000000, 0.0001656100000000, -0.0001233400000000 ] - [ 0.0000000000000000, -0.0003551400000000, -0.0001718600000000 ] - [ 0.0000000000000000, -0.0003124400000000, -0.0002096900000000 ] - [ 0.0000000000000000, 0.0006179200000000, 0.0002075900000000 ] - [ 0.0000000000000000, 0.0000814200000000, 0.0001650700000000 ] - [ 0.0000000000000000, 0.0000640800000000, 0.0001285100000000 ] - [ 0.0000000000000000, -0.0004248300000000, 0.0001273100000000 ] - [ -0.0000380200000000, -0.0000743400000000, -0.0000084100000000 ] - [ 0.0001802800000000, 0.0000551800000000, 0.0000094100000000 ] - [ -0.0001283000000000, -0.0001525800000000, -0.0000338400000000 ] - [ -0.0003556400000000, 0.0016643800000000, 0.0009413800000000 ] - [ 0.0000380200000000, -0.0000743400000000, -0.0000084100000000 ] - [ -0.0001802800000000, 0.0000551800000000, 0.0000094100000000 ] - [ 0.0001283000000000, -0.0001525800000000, -0.0000338400000000 ] - [ 0.0003556400000000, 0.0016643800000000, 0.0009413800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0611449000000000, 0.0275839400000000 ] - [ 0.0000000000000000, -0.0002836200000000, -0.0002473500000000 ] - [ 0.0000000000000000, 0.0021369400000000, -0.0012089700000000 ] - [ 0.0000000000000000, -0.0002391600000000, 0.0002620700000000 ] - [ 0.0000000000000000, -0.0004084200000000, 0.0003117900000000 ] - [ 0.0000000000000000, -0.0004094900000000, 0.0006346700000000 ] - [ 0.0000000000000000, -0.0002492800000000, -0.0004175600000000 ] - [ 0.0000000000000000, -0.0004954000000000, -0.0005091000000000 ] - [ 0.0010226900000000, 0.0001412000000000, 0.0001067400000000 ] - [ 0.0001034000000000, -0.0000298000000000, 0.0000093600000000 ] - [ 0.0003949900000000, 0.0000475200000000, 0.0000997300000000 ] - [ -0.0003331100000000, -0.0001068700000000, -0.0000223100000000 ] - [ -0.0010226900000000, 0.0001412000000000, 0.0001067400000000 ] - [ -0.0001034000000000, -0.0000298000000000, 0.0000093600000000 ] - [ -0.0003949900000000, 0.0000475200000000, 0.0000997300000000 ] - [ 0.0003331100000000, -0.0001068700000000, -0.0000223100000000 ] - [ -0.0002000600000000, 0.0001235600000000, 0.0001728800000000 ] - [ -0.0000148200000000, -0.0000210500000000, 0.0002879000000000 ] - [ 0.0004675600000000, -0.0003097000000000, 0.0001026200000000 ] - [ 0.0003261200000000, -0.0003327700000000, 0.0001684400000000 ] - [ 0.0003501600000000, 0.0009534900000000, 0.0004920800000000 ] - [ 0.0002194200000000, 0.0001591200000000, -0.0001971000000000 ] - [ 0.0012574100000000, -0.0010004300000000, -0.0022890200000000 ] - [ -0.0003280200000000, -0.0003139400000000, -0.0001289700000000 ] - [ 0.0002138000000000, -0.0002241400000000, 0.0002296400000000 ] - [ 0.0001823100000000, -0.0002116200000000, 0.0001616500000000 ] - [ -0.0016506700000000, -0.0021084900000000, -0.0025374200000000 ] - [ -0.0002495600000000, 0.0001972400000000, 0.0002232500000000 ] - [ -0.0004575200000000, -0.0000639900000000, -0.0006717600000000 ] - [ -0.0001718400000000, -0.0002241500000000, -0.0001551000000000 ] - [ 0.0001760500000000, 0.0002462900000000, -0.0001915800000000 ] - [ 0.0002167800000000, 0.0001879300000000, -0.0002018500000000 ] - [ -0.0001760500000000, 0.0002462900000000, -0.0001915800000000 ] - [ -0.0002167800000000, 0.0001879300000000, -0.0002018500000000 ] - [ 0.0004575200000000, -0.0000639900000000, -0.0006717600000000 ] - [ 0.0001718400000000, -0.0002241500000000, -0.0001551000000000 ] - [ 0.0016506700000000, -0.0021084900000000, -0.0025374200000000 ] - [ 0.0002495600000000, 0.0001972400000000, 0.0002232500000000 ] - [ -0.0002138000000000, -0.0002241400000000, 0.0002296400000000 ] - [ -0.0001823100000000, -0.0002116200000000, 0.0001616500000000 ] - [ 0.0002000600000000, 0.0001235600000000, 0.0001728800000000 ] - [ 0.0000148200000000, -0.0000210500000000, 0.0002879000000000 ] - [ -0.0004675600000000, -0.0003097000000000, 0.0001026200000000 ] - [ -0.0003261200000000, -0.0003327700000000, 0.0001684400000000 ] - [ -0.0003501600000000, 0.0009534900000000, 0.0004920800000000 ] - [ -0.0002194200000000, 0.0001591200000000, -0.0001971000000000 ] - [ -0.0012574100000000, -0.0010004300000000, -0.0022890200000000 ] - [ 0.0003280200000000, -0.0003139400000000, -0.0001289700000000 ] - [ 0.0000000000000000, -0.0000642900000000, -0.0000365000000000 ] - [ 0.0000000000000000, -0.0000637900000000, 0.0000514200000000 ] - [ 0.0000000000000000, -0.0000412800000000, 0.0000043800000000 ] - [ 0.0000000000000000, 0.0000163900000000, 0.0000186800000000 ] - [ 0.0000000000000000, 0.0002615900000000, -0.0001812200000000 ] - [ 0.0000000000000000, -0.0001963700000000, 0.0001498300000000 ] - [ 0.0000000000000000, 0.0002735700000000, 0.0001367900000000 ] - [ 0.0000000000000000, -0.0001558600000000, -0.0001659600000000 ] - [ 0.0001234400000000, -0.0000975900000000, 0.0000173300000000 ] - [ 0.0003511100000000, 0.0001250700000000, -0.0000293800000000 ] - [ -0.0003050000000000, -0.0000384000000000, -0.0000074600000000 ] - [ 0.0008368100000000, 0.0002354700000000, 0.0000963400000000 ] - [ -0.0001234400000000, -0.0000975900000000, 0.0000173300000000 ] - [ -0.0003511100000000, 0.0001250700000000, -0.0000293800000000 ] - [ 0.0003050000000000, -0.0000384000000000, -0.0000074600000000 ] - [ -0.0008368100000000, 0.0002354700000000, 0.0000963400000000 ] - [ -0.0003309100000000, 0.0002970900000000, 0.0000936300000000 ] - [ -0.0002523200000000, 0.0001901700000000, 0.0001929700000000 ] - [ 0.0002303900000000, -0.0002090900000000, 0.0002256400000000 ] - [ 0.0003005500000000, -0.0002806700000000, 0.0001369900000000 ] - [ 0.0002597700000000, 0.0001961100000000, -0.0002084500000000 ] - [ 0.0002731600000000, 0.0002868600000000, -0.0001511400000000 ] - [ -0.0002751700000000, -0.0001800200000000, -0.0001799500000000 ] - [ -0.0002924700000000, -0.0002659300000000, -0.0001140000000000 ] - [ 0.0001645900000000, -0.0002160500000000, 0.0001523900000000 ] - [ -0.0000652300000000, -0.0003564000000000, -0.0001812000000000 ] - [ -0.0001953600000000, 0.0001677500000000, 0.0001458400000000 ] - [ -0.0002252700000000, 0.0001978000000000, 0.0002063700000000 ] - [ -0.0001902400000000, -0.0002205800000000, -0.0001666000000000 ] - [ -0.0002322800000000, -0.0001507800000000, -0.0001812000000000 ] - [ -0.0009169300000000, -0.0019866300000000, 0.0000437200000000 ] - [ 0.0002356400000000, 0.0001888800000000, -0.0002124800000000 ] - [ 0.0009169300000000, -0.0019866300000000, 0.0000437200000000 ] - [ -0.0002356400000000, 0.0001888800000000, -0.0002124800000000 ] - [ 0.0001902400000000, -0.0002205800000000, -0.0001666000000000 ] - [ 0.0002322800000000, -0.0001507800000000, -0.0001812000000000 ] - [ 0.0001953600000000, 0.0001677500000000, 0.0001458400000000 ] - [ 0.0002252700000000, 0.0001978000000000, 0.0002063700000000 ] - [ -0.0001645900000000, -0.0002160500000000, 0.0001523900000000 ] - [ 0.0000652300000000, -0.0003564000000000, -0.0001812000000000 ] - [ 0.0003309100000000, 0.0002970900000000, 0.0000936300000000 ] - [ 0.0002523200000000, 0.0001901700000000, 0.0001929700000000 ] - [ -0.0002303900000000, -0.0002090900000000, 0.0002256400000000 ] - [ -0.0003005500000000, -0.0002806700000000, 0.0001369900000000 ] - [ -0.0002597700000000, 0.0001961100000000, -0.0002084500000000 ] - [ -0.0002731600000000, 0.0002868600000000, -0.0001511400000000 ] - [ 0.0002751700000000, -0.0001800200000000, -0.0001799500000000 ] - [ 0.0002924700000000, -0.0002659300000000, -0.0001140000000000 ] - [ 0.0000000000000000, 0.0000522200000000, -0.0001078900000000 ] - [ 0.0000000000000000, -0.0015333000000000, -0.0006080000000000 ] - [ 0.0000000000000000, 0.0002531100000000, 0.0015608600000000 ] - [ 0.0000000000000000, 0.0002485900000000, 0.0004597800000000 ] - [ 0.0000000000000000, -0.0143661000000000, -0.0048307500000000 ] - [ 0.0000000000000000, 0.0000245600000000, 0.0000464100000000 ] - [ 0.0000000000000000, -0.0011662500000000, -0.0010186300000000 ] - [ 0.0000000000000000, 0.0002477000000000, -0.0002799700000000 ] - [ 0.0000000000000000, -0.0348666700000000, -0.0077811100000000 ] - [ 0.0000000000000000, 0.0005263200000000, -0.0000868200000000 ] - [ 0.0000000000000000, -0.0004376400000000, -0.0015324800000000 ] - [ 0.0000000000000000, 0.0000226300000000, -0.0002113800000000 ] - [ 0.0000000000000000, 0.0011105500000000, -0.0007919300000000 ] - [ 0.0000000000000000, 0.0006083100000000, 0.0000310400000000 ] - [ 0.0000000000000000, 0.0000441100000000, 0.0001915200000000 ] - [ 0.0000000000000000, 0.0014739500000000, 0.0011871100000000 ] - [ -0.0001200500000000, -0.0002423300000000, -0.0010053100000000 ] - [ 0.0001516500000000, 0.0001051400000000, -0.0000642400000000 ] - [ -0.0003512600000000, -0.0001879200000000, 0.0001752300000000 ] - [ 0.0000597500000000, 0.0000691300000000, -0.0000153400000000 ] - [ 0.0001200500000000, -0.0002423300000000, -0.0010053100000000 ] - [ -0.0001516500000000, 0.0001051400000000, -0.0000642400000000 ] - [ 0.0003512600000000, -0.0001879200000000, 0.0001752300000000 ] - [ -0.0000597500000000, 0.0000691300000000, -0.0000153400000000 ] - [ 0.0000000000000000, -0.0003100000000000, 0.0000719500000000 ] - [ 0.0000000000000000, -0.0000184000000000, 0.0000558300000000 ] - [ 0.0000000000000000, -0.0000695200000000, 0.0001657700000000 ] - [ 0.0000000000000000, 0.0002122700000000, 0.0001989400000000 ] - [ 0.0000000000000000, -0.0000227000000000, -0.0001416600000000 ] - [ 0.0000000000000000, -0.0001052800000000, -0.0002210200000000 ] - [ 0.0000000000000000, 0.0001233800000000, -0.0001012600000000 ] - [ 0.0000000000000000, 0.0002006100000000, -0.0000835400000000 ] - [ 0.0000000000000000, 0.0003603100000000, -0.0002121300000000 ] - [ 0.0000000000000000, 0.0003402000000000, -0.0001709400000000 ] - [ 0.0000000000000000, -0.0001542700000000, -0.0001202300000000 ] - [ 0.0000000000000000, -0.0001960900000000, -0.0000834900000000 ] - [ 0.0000000000000000, -0.0001081600000000, 0.0000860800000000 ] - [ 0.0000000000000000, 0.0004255400000000, 0.0001282800000000 ] - [ 0.0000000000000000, -0.0005770900000000, 0.0001618100000000 ] - [ 0.0000000000000000, -0.0000853900000000, 0.0001661600000000 ] - [ 0.0001357900000000, 0.0000740800000000, 0.0000088400000000 ] - [ -0.0000794900000000, -0.0000551100000000, -0.0000087500000000 ] - [ 0.0000279100000000, 0.0001514000000000, 0.0000330500000000 ] - [ 0.0002416100000000, -0.0016487800000000, -0.0009195800000000 ] - [ -0.0001357900000000, 0.0000740800000000, 0.0000088400000000 ] - [ 0.0000794900000000, -0.0000551100000000, -0.0000087500000000 ] - [ -0.0000279100000000, 0.0001514000000000, 0.0000330500000000 ] - [ -0.0002416100000000, -0.0016487800000000, -0.0009195800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0276007000000000, -0.0611259400000000 ] - [ 0.0000000000000000, 0.0002332000000000, 0.0002580200000000 ] - [ 0.0000000000000000, -0.0011933000000000, 0.0010331400000000 ] - [ 0.0000000000000000, 0.0002765600000000, -0.0002375600000000 ] - [ 0.0000000000000000, 0.0006193600000000, -0.0009334900000000 ] - [ 0.0000000000000000, 0.0002995700000000, -0.0009385700000000 ] - [ 0.0000000000000000, 0.0004298100000000, 0.0004619300000000 ] - [ 0.0000000000000000, 0.0005248100000000, 0.0003015500000000 ] - [ -0.0008401300000000, -0.0001123100000000, -0.0001842700000000 ] - [ 0.0003149500000000, 0.0000277500000000, -0.0000077300000000 ] - [ 0.0001664800000000, -0.0001773500000000, 0.0000353700000000 ] - [ -0.0001157300000000, 0.0001011500000000, 0.0000224800000000 ] - [ 0.0008401300000000, -0.0001123100000000, -0.0001842700000000 ] - [ -0.0003149500000000, 0.0000277500000000, -0.0000077300000000 ] - [ -0.0001664800000000, -0.0001773500000000, 0.0000353700000000 ] - [ 0.0001157300000000, 0.0001011500000000, 0.0000224800000000 ] - [ -0.0003159800000000, 0.0003454200000000, 0.0001770100000000 ] - [ -0.0004517200000000, 0.0005853500000000, 0.0000304300000000 ] - [ 0.0000061400000000, 0.0000657900000000, 0.0003213600000000 ] - [ 0.0002335900000000, -0.0001402700000000, 0.0001659100000000 ] - [ -0.0008696000000000, -0.0000268100000000, 0.0020096900000000 ] - [ 0.0003289000000000, 0.0003091400000000, -0.0001337500000000 ] - [ -0.0018075600000000, 0.0023899800000000, 0.0021757200000000 ] - [ -0.0002170600000000, -0.0001602700000000, -0.0001967200000000 ] - [ 0.0002055900000000, -0.0001757200000000, 0.0001421800000000 ] - [ 0.0002221500000000, -0.0001981000000000, 0.0002066800000000 ] - [ 0.0012426700000000, 0.0022894900000000, 0.0010663300000000 ] - [ -0.0001564800000000, 0.0002142400000000, 0.0001390800000000 ] - [ 0.0001685400000000, -0.0003562900000000, 0.0002117100000000 ] - [ -0.0002344800000000, -0.0001856100000000, -0.0002173200000000 ] - [ 0.0002478900000000, 0.0001464400000000, -0.0002088100000000 ] - [ 0.0001905500000000, 0.0002195600000000, -0.0001696100000000 ] - [ -0.0002478900000000, 0.0001464400000000, -0.0002088100000000 ] - [ -0.0001905500000000, 0.0002195600000000, -0.0001696100000000 ] - [ -0.0001685400000000, -0.0003562900000000, 0.0002117100000000 ] - [ 0.0002344800000000, -0.0001856100000000, -0.0002173200000000 ] - [ -0.0012426700000000, 0.0022894900000000, 0.0010663300000000 ] - [ 0.0001564800000000, 0.0002142400000000, 0.0001390800000000 ] - [ -0.0002055900000000, -0.0001757200000000, 0.0001421800000000 ] - [ -0.0002221500000000, -0.0001981000000000, 0.0002066800000000 ] - [ 0.0003159800000000, 0.0003454200000000, 0.0001770100000000 ] - [ 0.0004517200000000, 0.0005853500000000, 0.0000304300000000 ] - [ -0.0000061400000000, 0.0000657900000000, 0.0003213600000000 ] - [ -0.0002335900000000, -0.0001402700000000, 0.0001659100000000 ] - [ 0.0008696000000000, -0.0000268100000000, 0.0020096900000000 ] - [ -0.0003289000000000, 0.0003091400000000, -0.0001337500000000 ] - [ 0.0018075600000000, 0.0023899800000000, 0.0021757200000000 ] - [ 0.0002170600000000, -0.0001602700000000, -0.0001967200000000 ] - [ 0.0000000000000000, -0.0000654900000000, -0.0000199700000000 ] - [ 0.0000000000000000, 0.0000224700000000, -0.0000200600000000 ] - [ 0.0000000000000000, 0.0000196100000000, 0.0000987700000000 ] - [ 0.0000000000000000, 0.0000328500000000, -0.0000057900000000 ] - [ 0.0000000000000000, -0.0001956100000000, 0.0000508100000000 ] - [ 0.0000000000000000, 0.0001353300000000, -0.0001512500000000 ] - [ 0.0000000000000000, -0.0001224600000000, -0.0000681600000000 ] - [ 0.0000000000000000, 0.0001803000000000, 0.0001300300000000 ] - [ 0.0003645100000000, 0.0001106600000000, -0.0000234900000000 ] - [ 0.0001209100000000, -0.0000979700000000, -0.0000029500000000 ] - [ -0.0000864900000000, 0.0000196200000000, 0.0000086000000000 ] - [ -0.0010474200000000, -0.0001371800000000, -0.0001180600000000 ] - [ -0.0003645100000000, 0.0001106600000000, -0.0000234900000000 ] - [ -0.0001209100000000, -0.0000979700000000, -0.0000029500000000 ] - [ 0.0000864900000000, 0.0000196200000000, 0.0000086000000000 ] - [ 0.0010474200000000, -0.0001371800000000, -0.0001180600000000 ] - [ -0.0002307600000000, 0.0002219100000000, 0.0002113300000000 ] - [ -0.0002948300000000, 0.0002771400000000, 0.0001382000000000 ] - [ 0.0003063900000000, -0.0002542200000000, 0.0000980300000000 ] - [ 0.0002553500000000, -0.0001980200000000, 0.0001899500000000 ] - [ 0.0002846900000000, 0.0002597200000000, -0.0001146000000000 ] - [ 0.0002807000000000, 0.0001936600000000, -0.0001762100000000 ] - [ -0.0002611000000000, -0.0002863300000000, -0.0001516700000000 ] - [ -0.0002581400000000, -0.0002074600000000, -0.0002096000000000 ] - [ 0.0002418300000000, -0.0002047000000000, 0.0002064500000000 ] - [ 0.0004073100000000, -0.0001409800000000, 0.0003365900000000 ] - [ -0.0002034500000000, 0.0002284400000000, 0.0002209800000000 ] - [ -0.0001839400000000, 0.0002082900000000, 0.0001656300000000 ] - [ -0.0002103000000000, -0.0001877800000000, -0.0001990700000000 ] - [ -0.0001773100000000, -0.0002518500000000, -0.0001890000000000 ] - [ 0.0002522400000000, -0.0004341100000000, -0.0008546700000000 ] - [ 0.0001740800000000, 0.0002198300000000, -0.0001669000000000 ] - [ -0.0002522400000000, -0.0004341100000000, -0.0008546700000000 ] - [ -0.0001740800000000, 0.0002198300000000, -0.0001669000000000 ] - [ 0.0002103000000000, -0.0001877800000000, -0.0001990700000000 ] - [ 0.0001773100000000, -0.0002518500000000, -0.0001890000000000 ] - [ 0.0002034500000000, 0.0002284400000000, 0.0002209800000000 ] - [ 0.0001839400000000, 0.0002082900000000, 0.0001656300000000 ] - [ -0.0002418300000000, -0.0002047000000000, 0.0002064500000000 ] - [ -0.0004073100000000, -0.0001409800000000, 0.0003365900000000 ] - [ 0.0002307600000000, 0.0002219100000000, 0.0002113300000000 ] - [ 0.0002948300000000, 0.0002771400000000, 0.0001382000000000 ] - [ -0.0003063900000000, -0.0002542200000000, 0.0000980300000000 ] - [ -0.0002553500000000, -0.0001980200000000, 0.0001899500000000 ] - [ -0.0002846900000000, 0.0002597200000000, -0.0001146000000000 ] - [ -0.0002807000000000, 0.0001936600000000, -0.0001762100000000 ] - [ 0.0002611000000000, -0.0002863300000000, -0.0001516700000000 ] - [ 0.0002581400000000, -0.0002074600000000, -0.0002096000000000 ] - [ 0.0000000000000000, -0.0001964600000000, 0.0006338200000000 ] - [ 0.0000000000000000, 0.0014197800000000, -0.0004743400000000 ] - [ 0.0000000000000000, -0.0008178900000000, -0.0016297600000000 ] - [ 0.0000000000000000, -0.0000234900000000, -0.0001473600000000 ] - [ 0.0000000000000000, 0.0075920300000000, 0.0349156600000000 ] - [ 0.0000000000000000, -0.0002480100000000, -0.0002930700000000 ] - [ 0.0000000000000000, 0.0013070200000000, -0.0015108500000000 ] - [ 0.0000000000000000, -0.0000293700000000, 0.0000550200000000 ] - [ 0.0000000000000000, 0.0050215300000000, 0.0140428600000000 ] - [ 0.0000000000000000, -0.0000312000000000, -0.0002137800000000 ] - [ 0.0000000000000000, 0.0009772100000000, 0.0010353000000000 ] - [ 0.0000000000000000, -0.0005269700000000, -0.0000842700000000 ] - [ 0.0000000000000000, 0.0016737600000000, 0.0011662600000000 ] - [ 0.0000000000000000, -0.0001198200000000, 0.0002891900000000 ] - [ 0.0000000000000000, -0.0005048700000000, 0.0001205400000000 ] - [ 0.0000000000000000, -0.0017728800000000, -0.0001091200000000 ] - [ -0.0002264200000000, 0.0009781000000000, 0.0014420700000000 ] - [ -0.0000401400000000, -0.0001000100000000, 0.0000580500000000 ] - [ -0.0001473600000000, -0.0000718500000000, 0.0000969800000000 ] - [ -0.0001406900000000, -0.0000634300000000, 0.0000135400000000 ] - [ 0.0002264200000000, 0.0009781000000000, 0.0014420700000000 ] - [ 0.0000401400000000, -0.0001000100000000, 0.0000580500000000 ] - [ 0.0001473600000000, -0.0000718500000000, 0.0000969800000000 ] - [ 0.0001406900000000, -0.0000634300000000, 0.0000135400000000 ] - [ 0.0000000000000000, 0.0000834700000000, 0.0002115400000000 ] - [ 0.0000000000000000, -0.0002061400000000, 0.0001900800000000 ] - [ 0.0000000000000000, 0.0002772300000000, 0.0000358100000000 ] - [ 0.0000000000000000, 0.0000303800000000, 0.0000692200000000 ] - [ 0.0000000000000000, -0.0001864300000000, -0.0000539200000000 ] - [ 0.0000000000000000, -0.0001328100000000, -0.0000531100000000 ] - [ 0.0000000000000000, 0.0001272800000000, -0.0002693300000000 ] - [ 0.0000000000000000, 0.0000355000000000, -0.0001626100000000 ] - [ 0.0000000000000000, 0.0002465800000000, -0.0000543900000000 ] - [ 0.0000000000000000, 0.0001681100000000, -0.0001302600000000 ] - [ 0.0000000000000000, -0.0003090800000000, -0.0001835200000000 ] - [ 0.0000000000000000, -0.0003201000000000, -0.0001985800000000 ] - [ 0.0000000000000000, 0.0005296500000000, 0.0002079000000000 ] - [ 0.0000000000000000, 0.0001040300000000, 0.0001606800000000 ] - [ 0.0000000000000000, 0.0000210400000000, 0.0000498000000000 ] - [ 0.0000000000000000, -0.0004067000000000, 0.0001311000000000 ] - [ -0.0000840200000000, -0.0000564000000000, -0.0000195000000000 ] - [ 0.0001322700000000, 0.0000552700000000, 0.0000167100000000 ] - [ -0.0001727500000000, -0.0001046700000000, -0.0000797400000000 ] - [ 0.0001372400000000, 0.0011734100000000, 0.0002266100000000 ] - [ 0.0000840200000000, -0.0000564000000000, -0.0000195000000000 ] - [ -0.0001322700000000, 0.0000552700000000, 0.0000167100000000 ] - [ 0.0001727500000000, -0.0001046700000000, -0.0000797400000000 ] - [ -0.0001372400000000, 0.0011734100000000, 0.0002266100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0280548000000000, 0.0626962300000000 ] - [ 0.0000000000000000, -0.0002775400000000, -0.0002415200000000 ] - [ 0.0000000000000000, 0.0012487200000000, -0.0010238000000000 ] - [ 0.0000000000000000, -0.0002352300000000, 0.0002573200000000 ] - [ 0.0000000000000000, -0.0006673000000000, 0.0009264000000000 ] - [ 0.0000000000000000, -0.0003458100000000, 0.0009210900000000 ] - [ 0.0000000000000000, -0.0003915400000000, -0.0004852600000000 ] - [ 0.0000000000000000, -0.0004844700000000, -0.0003224900000000 ] - [ 0.0012808000000000, 0.0001139800000000, 0.0001868200000000 ] - [ 0.0001183000000000, -0.0000281700000000, 0.0000081900000000 ] - [ -0.0006000500000000, 0.0001784900000000, -0.0000352600000000 ] - [ -0.0003188000000000, -0.0001020900000000, -0.0000222200000000 ] - [ -0.0012808000000000, 0.0001139800000000, 0.0001868200000000 ] - [ -0.0001183000000000, -0.0000281700000000, 0.0000081900000000 ] - [ 0.0006000500000000, 0.0001784900000000, -0.0000352600000000 ] - [ 0.0003188000000000, -0.0001020900000000, -0.0000222200000000 ] - [ -0.0002339900000000, 0.0001248400000000, 0.0001523700000000 ] - [ -0.0000963000000000, -0.0001128800000000, 0.0002992700000000 ] - [ 0.0005456400000000, -0.0005389700000000, 0.0000056000000000 ] - [ 0.0003160100000000, -0.0003309900000000, 0.0001640200000000 ] - [ 0.0014544400000000, 0.0005116200000000, -0.0023870600000000 ] - [ 0.0002206600000000, 0.0001613800000000, -0.0001952500000000 ] - [ 0.0012184300000000, -0.0028015300000000, -0.0024597500000000 ] - [ -0.0003337500000000, -0.0003111800000000, -0.0001318500000000 ] - [ 0.0002007500000000, -0.0002330200000000, 0.0002286600000000 ] - [ 0.0001841600000000, -0.0002113100000000, 0.0001632400000000 ] - [ -0.0016813800000000, -0.0019136600000000, -0.0006945200000000 ] - [ -0.0002499900000000, 0.0001946000000000, 0.0002311900000000 ] - [ -0.0005772100000000, -0.0000512100000000, -0.0005856900000000 ] - [ -0.0001716100000000, -0.0002238600000000, -0.0001519000000000 ] - [ 0.0001581300000000, 0.0002632400000000, -0.0001609400000000 ] - [ 0.0002156700000000, 0.0001894300000000, -0.0001998000000000 ] - [ -0.0001581300000000, 0.0002632400000000, -0.0001609400000000 ] - [ -0.0002156700000000, 0.0001894300000000, -0.0001998000000000 ] - [ 0.0005772100000000, -0.0000512100000000, -0.0005856900000000 ] - [ 0.0001716100000000, -0.0002238600000000, -0.0001519000000000 ] - [ 0.0016813800000000, -0.0019136600000000, -0.0006945200000000 ] - [ 0.0002499900000000, 0.0001946000000000, 0.0002311900000000 ] - [ -0.0002007500000000, -0.0002330200000000, 0.0002286600000000 ] - [ -0.0001841600000000, -0.0002113100000000, 0.0001632400000000 ] - [ 0.0002339900000000, 0.0001248400000000, 0.0001523700000000 ] - [ 0.0000963000000000, -0.0001128800000000, 0.0002992700000000 ] - [ -0.0005456400000000, -0.0005389700000000, 0.0000056000000000 ] - [ -0.0003160100000000, -0.0003309900000000, 0.0001640200000000 ] - [ -0.0014544400000000, 0.0005116200000000, -0.0023870600000000 ] - [ -0.0002206600000000, 0.0001613800000000, -0.0001952500000000 ] - [ -0.0012184300000000, -0.0028015300000000, -0.0024597500000000 ] - [ 0.0003337500000000, -0.0003111800000000, -0.0001318500000000 ] - [ 0.0000000000000000, 0.0000232900000000, 0.0000393300000000 ] - [ 0.0000000000000000, -0.0000649600000000, 0.0000392100000000 ] - [ 0.0000000000000000, 0.0000243500000000, -0.0000818800000000 ] - [ 0.0000000000000000, 0.0000093800000000, 0.0000241400000000 ] - [ 0.0000000000000000, 0.0001542200000000, -0.0000683500000000 ] - [ 0.0000000000000000, -0.0001794400000000, 0.0001345800000000 ] - [ 0.0000000000000000, 0.0001664700000000, 0.0000503400000000 ] - [ 0.0000000000000000, -0.0001392800000000, -0.0001485600000000 ] - [ 0.0000689900000000, -0.0001112900000000, 0.0000240400000000 ] - [ 0.0003141700000000, 0.0000983000000000, 0.0000030900000000 ] - [ -0.0003489700000000, -0.0000195900000000, -0.0000083100000000 ] - [ 0.0006212200000000, 0.0001389600000000, 0.0001182200000000 ] - [ -0.0000689900000000, -0.0001112900000000, 0.0000240400000000 ] - [ -0.0003141700000000, 0.0000983000000000, 0.0000030900000000 ] - [ 0.0003489700000000, -0.0000195900000000, -0.0000083100000000 ] - [ -0.0006212200000000, 0.0001389600000000, 0.0001182200000000 ] - [ -0.0003192500000000, 0.0002509600000000, 0.0001176800000000 ] - [ -0.0002546900000000, 0.0001932900000000, 0.0001917100000000 ] - [ 0.0002430800000000, -0.0002168500000000, 0.0002319100000000 ] - [ 0.0002943100000000, -0.0002730500000000, 0.0001395900000000 ] - [ 0.0002652400000000, 0.0002116000000000, -0.0002143700000000 ] - [ 0.0002689100000000, 0.0002777300000000, -0.0001524900000000 ] - [ -0.0002883200000000, -0.0001840400000000, -0.0001775700000000 ] - [ -0.0002916900000000, -0.0002637800000000, -0.0001191600000000 ] - [ 0.0001643400000000, -0.0002043100000000, 0.0001632200000000 ] - [ -0.0000030200000000, -0.0002697800000000, 0.0000303200000000 ] - [ -0.0002029800000000, 0.0001803000000000, 0.0001496200000000 ] - [ -0.0002223900000000, 0.0002008700000000, 0.0002046900000000 ] - [ -0.0001960500000000, -0.0002215400000000, -0.0001705100000000 ] - [ -0.0002290300000000, -0.0001571200000000, -0.0001805900000000 ] - [ 0.0001631700000000, 0.0008336700000000, 0.0004783200000000 ] - [ 0.0002330200000000, 0.0001893000000000, -0.0002026900000000 ] - [ -0.0001631700000000, 0.0008336700000000, 0.0004783200000000 ] - [ -0.0002330200000000, 0.0001893000000000, -0.0002026900000000 ] - [ 0.0001960500000000, -0.0002215400000000, -0.0001705100000000 ] - [ 0.0002290300000000, -0.0001571200000000, -0.0001805900000000 ] - [ 0.0002029800000000, 0.0001803000000000, 0.0001496200000000 ] - [ 0.0002223900000000, 0.0002008700000000, 0.0002046900000000 ] - [ -0.0001643400000000, -0.0002043100000000, 0.0001632200000000 ] - [ 0.0000030200000000, -0.0002697800000000, 0.0000303200000000 ] - [ 0.0003192500000000, 0.0002509600000000, 0.0001176800000000 ] - [ 0.0002546900000000, 0.0001932900000000, 0.0001917100000000 ] - [ -0.0002430800000000, -0.0002168500000000, 0.0002319100000000 ] - [ -0.0002943100000000, -0.0002730500000000, 0.0001395900000000 ] - [ -0.0002652400000000, 0.0002116000000000, -0.0002143700000000 ] - [ -0.0002689100000000, 0.0002777300000000, -0.0001524900000000 ] - [ 0.0002883200000000, -0.0001840400000000, -0.0001775700000000 ] - [ 0.0002916900000000, -0.0002637800000000, -0.0001191600000000 ] - [ 0.0000000000000000, -0.0000344000000000, -0.0003873300000000 ] - [ 0.0000000000000000, -0.0016251600000000, 0.0007012100000000 ] - [ 0.0000000000000000, 0.0010551400000000, 0.0018951800000000 ] - [ 0.0000000000000000, 0.0002540900000000, 0.0004013600000000 ] - [ 0.0000000000000000, -0.0085232500000000, -0.0368447300000000 ] - [ 0.0000000000000000, 0.0000188600000000, 0.0000414300000000 ] - [ 0.0000000000000000, -0.0010825000000000, 0.0012522600000000 ] - [ 0.0000000000000000, 0.0002616800000000, -0.0003086900000000 ] - [ 0.0000000000000000, -0.0043295200000000, -0.0141134200000000 ] - [ 0.0000000000000000, 0.0005413500000000, -0.0000788100000000 ] - [ 0.0000000000000000, -0.0014923400000000, -0.0013513300000000 ] - [ 0.0000000000000000, 0.0000183400000000, -0.0002074400000000 ] - [ 0.0000000000000000, -0.0011974300000000, -0.0008891900000000 ] - [ 0.0000000000000000, 0.0006334400000000, 0.0000018800000000 ] - [ 0.0000000000000000, -0.0000020400000000, 0.0001727800000000 ] - [ 0.0000000000000000, 0.0012742800000000, 0.0004116700000000 ] - [ 0.0003416400000000, -0.0010010400000000, -0.0014554400000000 ] - [ 0.0001403700000000, 0.0001012000000000, -0.0000575300000000 ] - [ 0.0000492100000000, 0.0000704000000000, -0.0000976200000000 ] - [ 0.0000452600000000, 0.0000627300000000, -0.0000140000000000 ] - [ -0.0003416400000000, -0.0010010400000000, -0.0014554400000000 ] - [ -0.0001403700000000, 0.0001012000000000, -0.0000575300000000 ] - [ -0.0000492100000000, 0.0000704000000000, -0.0000976200000000 ] - [ -0.0000452600000000, 0.0000627300000000, -0.0000140000000000 ] - [ 0.0000000000000000, -0.0003169900000000, 0.0000417100000000 ] - [ 0.0000000000000000, -0.0000255000000000, 0.0000632500000000 ] - [ 0.0000000000000000, -0.0000468000000000, 0.0002218600000000 ] - [ 0.0000000000000000, 0.0002008300000000, 0.0001855500000000 ] - [ 0.0000000000000000, -0.0000428800000000, -0.0001982900000000 ] - [ 0.0000000000000000, -0.0000979300000000, -0.0002016900000000 ] - [ 0.0000000000000000, 0.0001038100000000, 0.0000152100000000 ] - [ 0.0000000000000000, 0.0001945100000000, -0.0000910300000000 ] - [ 0.0000000000000000, 0.0002699900000000, -0.0002363100000000 ] - [ 0.0000000000000000, 0.0003374100000000, -0.0001653300000000 ] - [ 0.0000000000000000, -0.0001989900000000, -0.0001076100000000 ] - [ 0.0000000000000000, -0.0001865500000000, -0.0000939200000000 ] - [ 0.0000000000000000, -0.0000244500000000, 0.0000857900000000 ] - [ 0.0000000000000000, 0.0004060900000000, 0.0001331400000000 ] - [ 0.0000000000000000, -0.0005409300000000, 0.0002403600000000 ] - [ 0.0000000000000000, -0.0001008400000000, 0.0001633200000000 ] - [ 0.0001826700000000, 0.0000572600000000, 0.0000203000000000 ] - [ -0.0000349500000000, -0.0000555700000000, -0.0000161100000000 ] - [ 0.0000734400000000, 0.0001049900000000, 0.0000805700000000 ] - [ -0.0002361800000000, -0.0011708100000000, -0.0002368000000000 ] - [ -0.0001826700000000, 0.0000572600000000, 0.0000203000000000 ] - [ 0.0000349500000000, -0.0000555700000000, -0.0000161100000000 ] - [ -0.0000734400000000, 0.0001049900000000, 0.0000805700000000 ] - [ 0.0002361800000000, -0.0011708100000000, -0.0002368000000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001878700000000, -0.0008317800000000, -0.0010507000000000 ] - [ 0.0000006000000000, 0.0000894000000000, 0.0001057700000000 ] - [ -0.0001798300000000, -0.0010307900000000, 0.0008402000000000 ] - [ -0.0000006600000000, 0.0001126800000000, -0.0001237300000000 ] - [ -0.0001798300000000, 0.0010307900000000, -0.0008402000000000 ] - [ -0.0000006600000000, -0.0001126800000000, 0.0001237300000000 ] - [ -0.0001878700000000, 0.0008317800000000, 0.0010507000000000 ] - [ 0.0000006000000000, -0.0000894000000000, -0.0001057700000000 ] - [ -0.0808165900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000350400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0011598100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003891200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012644800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000467600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011412900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003891500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003360700000000, 0.0003257100000000, 0.0001910000000000 ] - [ -0.0002311000000000, 0.0001679000000000, 0.0001900400000000 ] - [ 0.0025488100000000, 0.0027571300000000, 0.0012475900000000 ] - [ 0.0002807400000000, -0.0002429800000000, 0.0001772600000000 ] - [ 0.0025488100000000, -0.0027571300000000, -0.0012475900000000 ] - [ 0.0002807400000000, 0.0002429800000000, -0.0001772600000000 ] - [ -0.0003360700000000, -0.0003257100000000, -0.0001910000000000 ] - [ -0.0002311000000000, -0.0001679000000000, -0.0001900400000000 ] - [ 0.0002237900000000, -0.0001349200000000, 0.0002420500000000 ] - [ 0.0001981000000000, -0.0001955800000000, 0.0001829300000000 ] - [ 0.0001680400000000, 0.0003950200000000, -0.0002074500000000 ] - [ -0.0002066400000000, 0.0002126300000000, 0.0001902800000000 ] - [ 0.0001680400000000, -0.0003950200000000, 0.0002074500000000 ] - [ -0.0002066400000000, -0.0002126300000000, -0.0001902800000000 ] - [ 0.0002237900000000, 0.0001349200000000, -0.0002420500000000 ] - [ 0.0001981000000000, 0.0001955800000000, -0.0001829300000000 ] - [ 0.0003162700000000, 0.0005421800000000, -0.0001285900000000 ] - [ -0.0001952700000000, 0.0001958600000000, -0.0001794600000000 ] - [ 0.0024440800000000, -0.0013044400000000, 0.0027530000000000 ] - [ 0.0002047500000000, -0.0002133700000000, -0.0001888800000000 ] - [ 0.0024440800000000, 0.0013044400000000, -0.0027530000000000 ] - [ 0.0002047500000000, 0.0002133700000000, 0.0001888800000000 ] - [ 0.0003162700000000, -0.0005421800000000, 0.0001285900000000 ] - [ -0.0001952700000000, -0.0001958600000000, 0.0001794600000000 ] - [ 0.0003405400000000, 0.0003411300000000, 0.0002137800000000 ] - [ 0.0002336500000000, 0.0001666000000000, 0.0001869100000000 ] - [ 0.0000992700000000, 0.0001474100000000, 0.0003426700000000 ] - [ -0.0002824300000000, -0.0002408000000000, 0.0001737100000000 ] - [ 0.0000992700000000, -0.0001474100000000, -0.0003426700000000 ] - [ -0.0002824300000000, 0.0002408000000000, -0.0001737100000000 ] - [ 0.0003405400000000, -0.0003411300000000, -0.0002137800000000 ] - [ 0.0002336500000000, -0.0001666000000000, -0.0001869100000000 ] - [ 0.0000315700000000, -0.0001592900000000, -0.0000881900000000 ] - [ 0.0000027000000000, 0.0000695500000000, 0.0001560000000000 ] - [ 0.0004918700000000, -0.0005927100000000, -0.0003812700000000 ] - [ -0.0000030800000000, 0.0001413100000000, -0.0000932200000000 ] - [ 0.0004918700000000, 0.0005927100000000, 0.0003812700000000 ] - [ -0.0000030800000000, -0.0001413100000000, 0.0000932200000000 ] - [ 0.0000315700000000, 0.0001592900000000, 0.0000881900000000 ] - [ 0.0000027000000000, -0.0000695500000000, -0.0001560000000000 ] - [ 0.0007655400000000, 0.0001201800000000, -0.0000294200000000 ] - [ 0.0007655400000000, -0.0001201800000000, 0.0000294200000000 ] - [ 0.0001807800000000, -0.0000341900000000, -0.0000065100000000 ] - [ 0.0001807800000000, 0.0000341900000000, 0.0000065100000000 ] - [ -0.0007774100000000, 0.0000534800000000, -0.0000307900000000 ] - [ -0.0007774100000000, -0.0000534800000000, 0.0000307900000000 ] - [ -0.0001853900000000, -0.0000403000000000, -0.0000038900000000 ] - [ -0.0001853900000000, 0.0000403000000000, 0.0000038900000000 ] - [ -0.0002213400000000, 0.0001718700000000, 0.0001135100000000 ] - [ -0.0002684400000000, 0.0002294800000000, 0.0001513800000000 ] - [ 0.0002201200000000, -0.0002064100000000, 0.0001213000000000 ] - [ 0.0003415600000000, -0.0003120100000000, 0.0001361600000000 ] - [ 0.0002201200000000, 0.0002064100000000, -0.0001213000000000 ] - [ 0.0003415600000000, 0.0003120100000000, -0.0001361600000000 ] - [ -0.0002213400000000, -0.0001718700000000, -0.0001135100000000 ] - [ -0.0002684400000000, -0.0002294800000000, -0.0001513800000000 ] - [ 0.0002522700000000, -0.0002291100000000, 0.0002153400000000 ] - [ 0.0001730100000000, -0.0002542100000000, 0.0001860000000000 ] - [ -0.0001439000000000, 0.0001519500000000, 0.0001280700000000 ] - [ -0.0002082600000000, 0.0001882100000000, 0.0001827800000000 ] - [ -0.0001439000000000, -0.0001519500000000, -0.0001280700000000 ] - [ -0.0002082600000000, -0.0001882100000000, -0.0001827800000000 ] - [ 0.0002522700000000, 0.0002291100000000, -0.0002153400000000 ] - [ 0.0001730100000000, 0.0002542100000000, -0.0001860000000000 ] - [ -0.0002441100000000, 0.0002280500000000, -0.0002141600000000 ] - [ -0.0001760600000000, 0.0002370200000000, -0.0001703700000000 ] - [ 0.0002388000000000, -0.0002354800000000, -0.0002228900000000 ] - [ 0.0003576700000000, -0.0000659600000000, -0.0002236700000000 ] - [ 0.0002388000000000, 0.0002354800000000, 0.0002228900000000 ] - [ 0.0003576700000000, 0.0000659600000000, 0.0002236700000000 ] - [ -0.0002441100000000, -0.0002280500000000, 0.0002141600000000 ] - [ -0.0001760600000000, -0.0002370200000000, 0.0001703700000000 ] - [ 0.0004646000000000, 0.0003133600000000, 0.0000765600000000 ] - [ 0.0002688800000000, 0.0002289500000000, 0.0001519900000000 ] - [ 0.0002364300000000, -0.0000000200000000, 0.0005895300000000 ] - [ -0.0002641100000000, -0.0004080900000000, 0.0000740500000000 ] - [ 0.0002364300000000, 0.0000000200000000, -0.0005895300000000 ] - [ -0.0002641100000000, 0.0004080900000000, -0.0000740500000000 ] - [ 0.0004646000000000, -0.0003133600000000, -0.0000765600000000 ] - [ 0.0002688800000000, -0.0002289500000000, -0.0001519900000000 ] - [ -0.0000614800000000, -0.0002321000000000, 0.0006627500000000 ] - [ 0.0000064800000000, -0.0000565400000000, -0.0000166000000000 ] - [ 0.0021710100000000, 0.0003703000000000, 0.0003958000000000 ] - [ 0.0000038600000000, 0.0001278800000000, 0.0001882200000000 ] - [ 0.0021710100000000, -0.0003703000000000, -0.0003958000000000 ] - [ 0.0000038600000000, -0.0001278800000000, -0.0001882200000000 ] - [ -0.0000614800000000, 0.0002321000000000, -0.0006627500000000 ] - [ 0.0000064800000000, 0.0000565400000000, 0.0000166000000000 ] - [ -0.0000446500000000, 0.0008017900000000, -0.0000501900000000 ] - [ -0.0000083600000000, 0.0001202900000000, -0.0002089400000000 ] - [ 0.0021460400000000, -0.0005135000000000, 0.0000419900000000 ] - [ 0.0000009300000000, -0.0003284900000000, -0.0001121700000000 ] - [ 0.0021460400000000, 0.0005135000000000, -0.0000419900000000 ] - [ 0.0000009300000000, 0.0003284900000000, 0.0001121700000000 ] - [ -0.0000446500000000, -0.0008017900000000, 0.0000501900000000 ] - [ -0.0000083600000000, -0.0001202900000000, 0.0002089400000000 ] - [ 0.0627731400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002104900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012528900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001081800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0026983500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002082000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006162000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001032300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003047000000000, -0.0000793200000000, -0.0004699100000000 ] - [ -0.0000029400000000, -0.0001060400000000, 0.0000550300000000 ] - [ -0.0007252300000000, 0.0000515200000000, 0.0003457800000000 ] - [ -0.0000157400000000, 0.0001097300000000, 0.0002533100000000 ] - [ -0.0007252300000000, -0.0000515200000000, -0.0003457800000000 ] - [ -0.0000157400000000, -0.0001097300000000, -0.0002533100000000 ] - [ -0.0003047000000000, 0.0000793200000000, 0.0004699100000000 ] - [ -0.0000029400000000, 0.0001060400000000, -0.0000550300000000 ] - [ -0.0007461800000000, 0.0006420300000000, -0.0001506900000000 ] - [ 0.0000015300000000, 0.0001893000000000, -0.0001755900000000 ] - [ -0.0003349400000000, 0.0004868000000000, -0.0002126200000000 ] - [ 0.0000309900000000, -0.0003146600000000, -0.0000866100000000 ] - [ -0.0003349400000000, -0.0004868000000000, 0.0002126200000000 ] - [ 0.0000309900000000, 0.0003146600000000, 0.0000866100000000 ] - [ -0.0007461800000000, -0.0006420300000000, 0.0001506900000000 ] - [ 0.0000015300000000, -0.0001893000000000, 0.0001755900000000 ] - [ -0.0003611900000000, -0.0000470200000000, -0.0000273800000000 ] - [ -0.0003611900000000, 0.0000470200000000, 0.0000273800000000 ] - [ -0.0004144600000000, -0.0000921900000000, -0.0000830800000000 ] - [ -0.0004144600000000, 0.0000921900000000, 0.0000830800000000 ] - [ 0.0006822700000000, 0.0005970800000000, 0.0004853600000000 ] - [ 0.0006822700000000, -0.0005970800000000, -0.0004853600000000 ] - [ 0.0004360900000000, -0.0000660600000000, -0.0000891400000000 ] - [ 0.0004360900000000, 0.0000660600000000, 0.0000891400000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001906300000000, 0.0007928000000000, 0.0010731000000000 ] - [ -0.0000004800000000, -0.0001323500000000, -0.0000880900000000 ] - [ 0.0001825100000000, 0.0010782900000000, -0.0008259200000000 ] - [ 0.0000007500000000, -0.0000696200000000, 0.0001417200000000 ] - [ 0.0001825100000000, -0.0010782900000000, 0.0008259200000000 ] - [ 0.0000007500000000, 0.0000696200000000, -0.0001417200000000 ] - [ 0.0001906300000000, -0.0007928000000000, -0.0010731000000000 ] - [ -0.0000004800000000, 0.0001323500000000, 0.0000880900000000 ] - [ 0.0846026700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003994200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007225100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000449500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0017016300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003866400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007075600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000448700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002132500000000, 0.0001449300000000, 0.0001384900000000 ] - [ -0.0003186200000000, 0.0003028500000000, 0.0001393900000000 ] - [ -0.0020239200000000, -0.0032997900000000, -0.0009432800000000 ] - [ 0.0002691000000000, -0.0002281700000000, 0.0001520000000000 ] - [ -0.0020239200000000, 0.0032997900000000, 0.0009432800000000 ] - [ 0.0002691000000000, 0.0002281700000000, -0.0001520000000000 ] - [ -0.0002132500000000, -0.0001449300000000, -0.0001384900000000 ] - [ -0.0003186200000000, -0.0003028500000000, -0.0001393900000000 ] - [ 0.0001819200000000, -0.0002745600000000, 0.0001282200000000 ] - [ 0.0002079700000000, -0.0002131300000000, 0.0001874200000000 ] - [ -0.0005758900000000, 0.0000134100000000, 0.0005792300000000 ] - [ -0.0001995900000000, 0.0001963500000000, 0.0001797200000000 ] - [ -0.0005758900000000, -0.0000134100000000, -0.0005792300000000 ] - [ -0.0001995900000000, -0.0001963500000000, -0.0001797200000000 ] - [ 0.0001819200000000, 0.0002745600000000, -0.0001282200000000 ] - [ 0.0002079700000000, 0.0002131300000000, -0.0001874200000000 ] - [ -0.0007217600000000, -0.0001322900000000, -0.0002443300000000 ] - [ -0.0002102800000000, 0.0002129900000000, -0.0001907900000000 ] - [ -0.0020622900000000, 0.0009203400000000, -0.0031938200000000 ] - [ 0.0002017800000000, -0.0001957300000000, -0.0001812100000000 ] - [ -0.0020622900000000, -0.0009203400000000, 0.0031938200000000 ] - [ 0.0002017800000000, 0.0001957300000000, 0.0001812100000000 ] - [ -0.0007217600000000, 0.0001322900000000, 0.0002443300000000 ] - [ -0.0002102800000000, -0.0002129900000000, 0.0001907900000000 ] - [ 0.0002097900000000, 0.0001300400000000, 0.0001152400000000 ] - [ 0.0003168300000000, 0.0003047300000000, 0.0001423100000000 ] - [ -0.0006506600000000, -0.0006205100000000, -0.0000139800000000 ] - [ -0.0002669900000000, -0.0002302800000000, 0.0001555900000000 ] - [ -0.0006506600000000, 0.0006205100000000, 0.0000139800000000 ] - [ -0.0002669900000000, 0.0002302800000000, -0.0001555900000000 ] - [ 0.0002097900000000, -0.0001300400000000, -0.0001152400000000 ] - [ 0.0003168300000000, -0.0003047300000000, -0.0001423100000000 ] - [ -0.0000322000000000, 0.0001160600000000, 0.0001068800000000 ] - [ -0.0000023800000000, -0.0001120800000000, -0.0001372100000000 ] - [ -0.0004810400000000, 0.0006257900000000, 0.0003883000000000 ] - [ 0.0000031200000000, -0.0000980500000000, 0.0001117000000000 ] - [ -0.0004810400000000, -0.0006257900000000, -0.0003883000000000 ] - [ 0.0000031200000000, 0.0000980500000000, -0.0001117000000000 ] - [ -0.0000322000000000, -0.0001160600000000, -0.0001068800000000 ] - [ -0.0000023800000000, 0.0001120800000000, 0.0001372100000000 ] - [ -0.0003314200000000, -0.0001201800000000, 0.0000293900000000 ] - [ -0.0003314200000000, 0.0001201800000000, -0.0000293900000000 ] - [ -0.0006141400000000, 0.0000342100000000, 0.0000065600000000 ] - [ -0.0006141400000000, -0.0000342100000000, -0.0000065600000000 ] - [ 0.0003416100000000, -0.0000519500000000, 0.0000307600000000 ] - [ 0.0003416100000000, 0.0000519500000000, -0.0000307600000000 ] - [ 0.0006202000000000, 0.0000406700000000, 0.0000039500000000 ] - [ 0.0006202000000000, -0.0000406700000000, -0.0000039500000000 ] - [ -0.0003285300000000, 0.0003013300000000, 0.0002151900000000 ] - [ -0.0002805800000000, 0.0002420900000000, 0.0001781700000000 ] - [ 0.0003289900000000, -0.0002651600000000, 0.0002083100000000 ] - [ 0.0002078400000000, -0.0001594200000000, 0.0001930700000000 ] - [ 0.0003289900000000, 0.0002651600000000, -0.0002083100000000 ] - [ 0.0002078400000000, 0.0001594200000000, -0.0001930700000000 ] - [ -0.0003285300000000, -0.0003013300000000, -0.0002151900000000 ] - [ -0.0002805800000000, -0.0002420900000000, -0.0001781700000000 ] - [ 0.0001547600000000, -0.0001796400000000, 0.0001549600000000 ] - [ 0.0002338700000000, -0.0001547700000000, 0.0001837400000000 ] - [ -0.0002621500000000, 0.0002565500000000, 0.0002432200000000 ] - [ -0.0001973100000000, 0.0002208800000000, 0.0001876300000000 ] - [ -0.0002621500000000, -0.0002565500000000, -0.0002432200000000 ] - [ -0.0001973100000000, -0.0002208800000000, -0.0001876300000000 ] - [ 0.0001547600000000, 0.0001796400000000, -0.0001549600000000 ] - [ 0.0002338700000000, 0.0001547700000000, -0.0001837400000000 ] - [ -0.0001621700000000, 0.0001808900000000, -0.0001555100000000 ] - [ -0.0002300700000000, 0.0001723700000000, -0.0001991200000000 ] - [ 0.0001668100000000, -0.0001733400000000, -0.0001468100000000 ] - [ 0.0000484400000000, -0.0003433800000000, -0.0001465700000000 ] - [ 0.0001668100000000, 0.0001733400000000, 0.0001468100000000 ] - [ 0.0000484400000000, 0.0003433800000000, 0.0001465700000000 ] - [ -0.0001621700000000, -0.0001808900000000, 0.0001555100000000 ] - [ -0.0002300700000000, -0.0001723700000000, 0.0001991200000000 ] - [ 0.0000840200000000, 0.0001573000000000, 0.0002531200000000 ] - [ 0.0002804100000000, 0.0002424900000000, 0.0001776500000000 ] - [ -0.0007851000000000, -0.0004736700000000, -0.0002586000000000 ] - [ -0.0002845400000000, -0.0000638100000000, 0.0002549800000000 ] - [ -0.0007851000000000, 0.0004736700000000, 0.0002586000000000 ] - [ -0.0002845400000000, 0.0000638100000000, -0.0002549800000000 ] - [ 0.0000840200000000, -0.0001573000000000, -0.0002531200000000 ] - [ 0.0002804100000000, -0.0002424900000000, -0.0001776500000000 ] - [ 0.0000617500000000, 0.0000006100000000, -0.0004126800000000 ] - [ -0.0000072600000000, -0.0001743500000000, 0.0002694200000000 ] - [ -0.0022112500000000, -0.0001498500000000, -0.0001630800000000 ] - [ -0.0000060900000000, 0.0001015200000000, 0.0000632800000000 ] - [ -0.0022112500000000, 0.0001498500000000, 0.0001630800000000 ] - [ -0.0000060900000000, -0.0001015200000000, -0.0000632800000000 ] - [ 0.0000617500000000, -0.0000006100000000, 0.0004126800000000 ] - [ -0.0000072600000000, 0.0001743500000000, -0.0002694200000000 ] - [ 0.0000447000000000, -0.0002955400000000, -0.0002417800000000 ] - [ 0.0000080100000000, 0.0003892300000000, -0.0000837700000000 ] - [ -0.0021860300000000, 0.0000231100000000, -0.0003429700000000 ] - [ -0.0000029900000000, -0.0001823500000000, -0.0001791200000000 ] - [ -0.0021860300000000, -0.0000231100000000, 0.0003429700000000 ] - [ -0.0000029900000000, 0.0001823500000000, 0.0001791200000000 ] - [ 0.0000447000000000, 0.0002955400000000, 0.0002417800000000 ] - [ 0.0000080100000000, -0.0003892300000000, 0.0000837700000000 ] - [ -0.0658570300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001135600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0013512800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002056900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0026103000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001057000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007164600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002071800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003090200000000, -0.0001449300000000, 0.0007144900000000 ] - [ 0.0000052300000000, -0.0001254200000000, 0.0002001500000000 ] - [ 0.0007285500000000, 0.0001829000000000, -0.0000955600000000 ] - [ 0.0000178100000000, 0.0001198300000000, 0.0000002300000000 ] - [ 0.0007285500000000, -0.0001829000000000, 0.0000955600000000 ] - [ 0.0000178100000000, -0.0001198300000000, -0.0000002300000000 ] - [ 0.0003090200000000, 0.0001449300000000, -0.0007144900000000 ] - [ 0.0000052300000000, 0.0001254200000000, -0.0002001500000000 ] - [ 0.0007490800000000, -0.0001314100000000, -0.0001375400000000 ] - [ 0.0000007200000000, 0.0003186200000000, -0.0001180800000000 ] - [ 0.0003401900000000, -0.0009885600000000, -0.0000861300000000 ] - [ -0.0000295400000000, -0.0001950200000000, -0.0002055000000000 ] - [ 0.0003401900000000, 0.0009885600000000, 0.0000861300000000 ] - [ -0.0000295400000000, 0.0001950200000000, 0.0002055000000000 ] - [ 0.0007490800000000, 0.0001314100000000, 0.0001375400000000 ] - [ 0.0000007200000000, -0.0003186200000000, 0.0001180800000000 ] - [ 0.0004628900000000, 0.0000475300000000, 0.0000276500000000 ] - [ 0.0004628900000000, -0.0000475300000000, -0.0000276500000000 ] - [ 0.0003136600000000, 0.0000924600000000, 0.0000831400000000 ] - [ 0.0003136600000000, -0.0000924600000000, -0.0000831400000000 ] - [ -0.0007786900000000, -0.0005988300000000, -0.0004827900000000 ] - [ -0.0007786900000000, 0.0005988300000000, 0.0004827900000000 ] - [ -0.0003361500000000, 0.0000658500000000, 0.0000891800000000 ] - [ -0.0003361500000000, -0.0000658500000000, -0.0000891800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000472600000000, -0.0001658900000000, -0.0001058500000000 ] - [ -0.0000000200000000, 0.0000080100000000, 0.0000387200000000 ] - [ -0.0001074300000000, -0.0002168400000000, 0.0001501600000000 ] - [ -0.0000003200000000, 0.0000615000000000, -0.0000097700000000 ] - [ 0.0001069600000000, -0.0002568200000000, 0.0001262100000000 ] - [ 0.0000005800000000, 0.0000158200000000, -0.0000296400000000 ] - [ 0.0000463700000000, -0.0001164100000000, -0.0001206100000000 ] - [ 0.0000002900000000, 0.0000516700000000, 0.0000174100000000 ] - [ 0.0001600900000000, -0.0126903800000000, 0.0010932800000000 ] - [ 0.0002189600000000, 0.0000327800000000, -0.0000076200000000 ] - [ -0.0002220500000000, -0.0000271700000000, 0.0000099700000000 ] - [ -0.0002199800000000, 0.0000102900000000, 0.0000033800000000 ] - [ -0.0002157500000000, -0.0001078800000000, 0.0000313900000000 ] - [ -0.0002198300000000, 0.0000293500000000, -0.0000052300000000 ] - [ 0.0002212100000000, -0.0000081000000000, -0.0000135100000000 ] - [ 0.0002205700000000, 0.0000103600000000, 0.0000024500000000 ] - [ -0.0002657800000000, 0.0002342700000000, 0.0001692300000000 ] - [ -0.0002798100000000, 0.0002347400000000, 0.0001650600000000 ] - [ 0.0036014900000000, 0.0005424400000000, 0.0006331200000000 ] - [ 0.0002665700000000, -0.0002252800000000, 0.0001796900000000 ] - [ -0.0031131500000000, 0.0010316500000000, 0.0003182800000000 ] - [ 0.0002802300000000, 0.0002474200000000, -0.0001501200000000 ] - [ -0.0002812900000000, -0.0002386500000000, -0.0001601500000000 ] - [ -0.0002668500000000, -0.0002375500000000, -0.0001644100000000 ] - [ 0.0001865600000000, -0.0002158000000000, 0.0001727200000000 ] - [ 0.0002128200000000, -0.0002000500000000, 0.0001956700000000 ] - [ -0.0002821200000000, 0.0000108100000000, 0.0001794900000000 ] - [ -0.0001959000000000, 0.0002085800000000, 0.0001803700000000 ] - [ -0.0001201200000000, -0.0003985600000000, -0.0001895600000000 ] - [ -0.0002076300000000, -0.0001995000000000, -0.0001923100000000 ] - [ 0.0002163400000000, 0.0001921500000000, -0.0001986200000000 ] - [ 0.0001908500000000, 0.0002081100000000, -0.0001770000000000 ] - [ -0.0002462600000000, 0.0002595800000000, -0.0003932400000000 ] - [ -0.0001899300000000, 0.0002086700000000, -0.0001739200000000 ] - [ -0.0010177000000000, -0.0006092400000000, -0.0005909500000000 ] - [ 0.0002072800000000, -0.0002011500000000, -0.0001925000000000 ] - [ 0.0014278700000000, -0.0001891600000000, -0.0002264600000000 ] - [ 0.0001963100000000, 0.0002076100000000, 0.0001787700000000 ] - [ -0.0001576100000000, -0.0001502200000000, -0.0000198300000000 ] - [ -0.0002137700000000, -0.0002001400000000, 0.0001973300000000 ] - [ 0.0002863200000000, 0.0002433900000000, 0.0001679600000000 ] - [ 0.0002755800000000, 0.0002348600000000, 0.0001615100000000 ] - [ -0.0004871200000000, -0.0003826600000000, 0.0001781100000000 ] - [ -0.0002668400000000, -0.0002241900000000, 0.0001747700000000 ] - [ -0.0000559100000000, 0.0000872500000000, -0.0001534500000000 ] - [ -0.0002797800000000, 0.0002498100000000, -0.0001544600000000 ] - [ 0.0002618900000000, -0.0002301100000000, -0.0001614200000000 ] - [ 0.0002721200000000, -0.0002378700000000, -0.0001676500000000 ] - [ -0.0000057100000000, -0.0001472900000000, -0.0000869400000000 ] - [ 0.0000012900000000, 0.0000757000000000, 0.0001219500000000 ] - [ -0.0002204400000000, -0.0000257500000000, 0.0001873100000000 ] - [ -0.0000040500000000, 0.0001303500000000, -0.0000918000000000 ] - [ 0.0002225500000000, -0.0000694800000000, 0.0001688100000000 ] - [ 0.0000037400000000, 0.0000842500000000, -0.0001117600000000 ] - [ 0.0000053000000000, -0.0001036400000000, -0.0001092000000000 ] - [ -0.0000013200000000, 0.0001199000000000, 0.0000999600000000 ] - [ 0.0001017000000000, -0.0000069700000000, 0.0000041100000000 ] - [ 0.0003408000000000, -0.0000074900000000, 0.0000043000000000 ] - [ -0.0002534100000000, -0.0000017300000000, -0.0000003900000000 ] - [ -0.0001838400000000, -0.0000016500000000, -0.0000004600000000 ] - [ -0.0001682800000000, 0.0000724300000000, -0.0000056800000000 ] - [ -0.0002737700000000, 0.0000721600000000, -0.0000054600000000 ] - [ 0.0002596900000000, 0.0000072800000000, 0.0000016400000000 ] - [ 0.0001782200000000, 0.0000071500000000, 0.0000015800000000 ] - [ -0.0002344100000000, 0.0001632900000000, 0.0001731200000000 ] - [ -0.0002892900000000, 0.0002616200000000, 0.0001592700000000 ] - [ 0.0002755600000000, -0.0002431500000000, 0.0001718500000000 ] - [ 0.0002427500000000, -0.0002014900000000, 0.0001878700000000 ] - [ 0.0002711700000000, 0.0002300200000000, -0.0001571800000000 ] - [ 0.0003044400000000, 0.0002719000000000, -0.0001407100000000 ] - [ -0.0003129500000000, -0.0003106800000000, -0.0001561400000000 ] - [ -0.0002577100000000, -0.0002107800000000, -0.0001703800000000 ] - [ 0.0002377000000000, -0.0002123400000000, 0.0002044200000000 ] - [ 0.0001947200000000, -0.0002196500000000, 0.0002056300000000 ] - [ -0.0001768000000000, 0.0001842200000000, 0.0001615500000000 ] - [ -0.0002023900000000, 0.0002017000000000, 0.0001991400000000 ] - [ -0.0002269100000000, -0.0002244100000000, -0.0002102700000000 ] - [ -0.0002013600000000, -0.0002073300000000, -0.0001722300000000 ] - [ 0.0001666700000000, 0.0001961600000000, -0.0001673300000000 ] - [ 0.0002093400000000, 0.0001891100000000, -0.0001661400000000 ] - [ -0.0001956700000000, 0.0002106100000000, -0.0001799800000000 ] - [ -0.0002002400000000, 0.0002006200000000, -0.0001793400000000 ] - [ 0.0001619300000000, -0.0001959200000000, -0.0001341900000000 ] - [ 0.0003441100000000, -0.0000743100000000, -0.0002183100000000 ] - [ 0.0002420300000000, 0.0002131000000000, 0.0002384100000000 ] - [ 0.0000619800000000, 0.0003320800000000, 0.0001541100000000 ] - [ -0.0002080100000000, -0.0001984400000000, 0.0001913500000000 ] - [ -0.0002030000000000, -0.0002084500000000, 0.0001918400000000 ] - [ 0.0002669100000000, 0.0002079200000000, 0.0001375300000000 ] - [ 0.0002901600000000, 0.0002635900000000, 0.0001595200000000 ] - [ 0.0002713400000000, 0.0006905700000000, 0.0000870600000000 ] - [ -0.0002881700000000, -0.0001268300000000, 0.0002342800000000 ] - [ -0.0007998000000000, 0.0011292100000000, -0.0002316300000000 ] - [ -0.0002588300000000, 0.0003472800000000, -0.0000939100000000 ] - [ 0.0002795700000000, -0.0002656000000000, -0.0001926000000000 ] - [ 0.0002565000000000, -0.0002099400000000, -0.0001696100000000 ] - [ 0.0000224200000000, -0.0001349600000000, 0.0000769500000000 ] - [ 0.0000226600000000, -0.0001545900000000, 0.0001171700000000 ] - [ -0.0002330200000000, -0.0003253100000000, -0.0004471500000000 ] - [ 0.0000026700000000, 0.0000876000000000, 0.0001199800000000 ] - [ 0.0002373900000000, -0.0005560900000000, -0.0007055700000000 ] - [ -0.0000047000000000, -0.0001427800000000, -0.0001339000000000 ] - [ -0.0000241500000000, 0.0000962400000000, -0.0001769700000000 ] - [ -0.0000238500000000, 0.0000779100000000, -0.0001350900000000 ] - [ 0.0000354700000000, 0.0003401300000000, -0.0001706700000000 ] - [ 0.0000005700000000, 0.0002306500000000, -0.0001341800000000 ] - [ 0.0005669900000000, -0.0017053300000000, 0.0004917500000000 ] - [ -0.0000034800000000, -0.0002976200000000, -0.0001458400000000 ] - [ -0.0005598200000000, -0.0012055200000000, 0.0007863700000000 ] - [ 0.0000018000000000, 0.0002128600000000, 0.0001467300000000 ] - [ -0.0000371300000000, -0.0001713500000000, 0.0001220500000000 ] - [ -0.0000020400000000, -0.0002791800000000, 0.0001592100000000 ] - [ 0.0001280600000000, 0.0147572500000000, -0.0004889100000000 ] - [ 0.0000464200000000, -0.0000254100000000, -0.0000079300000000 ] - [ -0.0000460100000000, 0.0002443600000000, 0.0002125100000000 ] - [ -0.0000442500000000, -0.0000320200000000, -0.0000220600000000 ] - [ -0.0000572400000000, 0.0002877200000000, -0.0000301500000000 ] - [ -0.0000510400000000, -0.0000167600000000, -0.0000028300000000 ] - [ 0.0000486700000000, 0.0000143800000000, 0.0000063500000000 ] - [ 0.0000494600000000, -0.0000343900000000, -0.0000176400000000 ] - [ 0.0000451500000000, 0.0000474200000000, -0.0000571100000000 ] - [ 0.0000002200000000, -0.0001592700000000, 0.0001988600000000 ] - [ -0.0005051500000000, 0.0000830300000000, 0.0005215900000000 ] - [ 0.0000234100000000, 0.0000954700000000, 0.0000553300000000 ] - [ 0.0004996500000000, -0.0001474100000000, 0.0002638600000000 ] - [ -0.0000232100000000, -0.0001351200000000, -0.0001993600000000 ] - [ -0.0000446900000000, 0.0002782500000000, -0.0003083500000000 ] - [ 0.0000021000000000, 0.0000719200000000, -0.0000557900000000 ] - [ 0.0001280300000000, 0.0002262800000000, -0.0001683200000000 ] - [ 0.0000019400000000, 0.0001638400000000, -0.0001700000000000 ] - [ 0.0002427400000000, -0.0001948200000000, -0.0004191400000000 ] - [ 0.0000444800000000, -0.0002871900000000, -0.0001324800000000 ] - [ -0.0002427500000000, 0.0003129300000000, -0.0001273500000000 ] - [ -0.0000429600000000, 0.0002212400000000, 0.0001608500000000 ] - [ -0.0001275000000000, -0.0002865000000000, 0.0001234100000000 ] - [ 0.0000000000000000, -0.0003417400000000, 0.0001267200000000 ] - [ 0.0000919800000000, 0.0000551600000000, -0.0000132900000000 ] - [ 0.0000052200000000, 0.0000558900000000, -0.0000139400000000 ] - [ -0.0000135100000000, 0.0000053800000000, -0.0000005100000000 ] - [ -0.0000896200000000, 0.0000053800000000, 0.0000000100000000 ] - [ -0.0003058400000000, -0.0002831300000000, -0.0002960700000000 ] - [ 0.0002157000000000, -0.0002857500000000, -0.0002993200000000 ] - [ 0.0000031000000000, -0.0000245500000000, -0.0000357600000000 ] - [ 0.0000948300000000, -0.0000249100000000, -0.0000356900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000963800000000, -0.0001313600000000, -0.0001777100000000 ] - [ -0.0000003500000000, -0.0000312800000000, 0.0000027000000000 ] - [ 0.0000604600000000, 0.0001165500000000, -0.0001053600000000 ] - [ -0.0000003400000000, 0.0000152600000000, 0.0000184800000000 ] - [ -0.0000612600000000, 0.0000772700000000, -0.0001303900000000 ] - [ 0.0000005900000000, -0.0000300700000000, -0.0000015100000000 ] - [ 0.0000960400000000, -0.0000837800000000, -0.0001931500000000 ] - [ 0.0000005900000000, 0.0000126100000000, -0.0000181600000000 ] - [ 0.0001589300000000, 0.0010941700000000, -0.0125639900000000 ] - [ 0.0002189600000000, -0.0000075600000000, 0.0000016300000000 ] - [ -0.0002220500000000, -0.0000096300000000, 0.0001510700000000 ] - [ -0.0002198500000000, -0.0000031900000000, -0.0000006100000000 ] - [ -0.0002153700000000, 0.0000313000000000, -0.0000821100000000 ] - [ -0.0002196700000000, -0.0000053000000000, 0.0000016700000000 ] - [ 0.0002217200000000, 0.0000133100000000, -0.0000228200000000 ] - [ 0.0002202600000000, -0.0000024600000000, -0.0000008000000000 ] - [ -0.0002661600000000, 0.0002276000000000, 0.0001668000000000 ] - [ -0.0002742500000000, 0.0002355800000000, 0.0001657500000000 ] - [ 0.0014421800000000, 0.0002622300000000, -0.0001921600000000 ] - [ 0.0002745800000000, -0.0002388200000000, 0.0001630700000000 ] - [ -0.0008874100000000, 0.0007265100000000, -0.0005322700000000 ] - [ 0.0002723400000000, 0.0002336000000000, -0.0001667300000000 ] - [ -0.0002807300000000, -0.0002449000000000, -0.0001628300000000 ] - [ -0.0002724500000000, -0.0002366700000000, -0.0001636900000000 ] - [ 0.0002323200000000, -0.0001747100000000, 0.0002142500000000 ] - [ 0.0001997400000000, -0.0002047400000000, 0.0001843600000000 ] - [ 0.0000146200000000, 0.0001812700000000, 0.0000538700000000 ] - [ -0.0002028900000000, 0.0002035100000000, 0.0001873800000000 ] - [ -0.0004137900000000, -0.0002301800000000, -0.0003143500000000 ] - [ -0.0002006700000000, -0.0002046100000000, -0.0001851200000000 ] - [ 0.0001707300000000, 0.0002335100000000, -0.0001574600000000 ] - [ 0.0002041200000000, 0.0002033300000000, -0.0001879700000000 ] - [ 0.0003321500000000, 0.0002006400000000, 0.0008436900000000 ] - [ -0.0002047000000000, 0.0002034800000000, -0.0001884800000000 ] - [ 0.0035209100000000, -0.0006743300000000, 0.0005722100000000 ] - [ 0.0002005700000000, -0.0002051400000000, -0.0001840200000000 ] - [ -0.0031765600000000, -0.0002792300000000, 0.0009610200000000 ] - [ 0.0002031900000000, 0.0002036700000000, 0.0001871000000000 ] - [ -0.0007172900000000, -0.0001962100000000, 0.0011832700000000 ] - [ -0.0001992100000000, -0.0002052100000000, 0.0001826200000000 ] - [ 0.0002457900000000, 0.0002094300000000, 0.0001394900000000 ] - [ 0.0002735200000000, 0.0002280300000000, 0.0001669000000000 ] - [ -0.0003415000000000, -0.0002113600000000, -0.0000197800000000 ] - [ -0.0002744200000000, -0.0002396100000000, 0.0001627200000000 ] - [ -0.0002044700000000, 0.0002591000000000, -0.0003494200000000 ] - [ -0.0002721600000000, 0.0002340900000000, -0.0001665200000000 ] - [ 0.0003021300000000, -0.0002636000000000, -0.0001899100000000 ] - [ 0.0002743200000000, -0.0002447600000000, -0.0001622300000000 ] - [ 0.0000044500000000, 0.0000064800000000, 0.0000069100000000 ] - [ -0.0000003700000000, -0.0000394900000000, -0.0000128900000000 ] - [ -0.0002255700000000, 0.0001213200000000, 0.0000453000000000 ] - [ 0.0000007000000000, 0.0000004900000000, 0.0000323900000000 ] - [ 0.0002272800000000, 0.0000785300000000, 0.0000256200000000 ] - [ -0.0000008800000000, -0.0000451300000000, 0.0000124700000000 ] - [ -0.0000049300000000, 0.0000528700000000, -0.0000126300000000 ] - [ 0.0000002300000000, 0.0000048400000000, -0.0000342600000000 ] - [ 0.0002507100000000, 0.0000046100000000, 0.0000042300000000 ] - [ 0.0001906200000000, 0.0000042000000000, 0.0000043300000000 ] - [ -0.0002123900000000, 0.0000005000000000, -0.0000012000000000 ] - [ -0.0002243800000000, 0.0000009600000000, -0.0000011400000000 ] - [ -0.0002517300000000, -0.0000054800000000, -0.0000060300000000 ] - [ -0.0001899200000000, -0.0000061200000000, -0.0000058100000000 ] - [ 0.0002150400000000, -0.0000018200000000, 0.0000067900000000 ] - [ 0.0002225300000000, -0.0000016800000000, 0.0000067600000000 ] - [ -0.0002513900000000, 0.0002241300000000, 0.0001407200000000 ] - [ -0.0002699300000000, 0.0002307200000000, 0.0001663300000000 ] - [ 0.0002743200000000, -0.0002347900000000, 0.0001620700000000 ] - [ 0.0002786300000000, -0.0002413900000000, 0.0001586200000000 ] - [ 0.0002723100000000, 0.0002375800000000, -0.0001667900000000 ] - [ 0.0002686500000000, 0.0002316600000000, -0.0001702800000000 ] - [ -0.0002960900000000, -0.0002493900000000, -0.0001883000000000 ] - [ -0.0002772300000000, -0.0002415700000000, -0.0001635600000000 ] - [ 0.0002157400000000, -0.0002099000000000, 0.0001948800000000 ] - [ 0.0002039100000000, -0.0001956200000000, 0.0001839200000000 ] - [ -0.0001806400000000, 0.0002025300000000, 0.0001480400000000 ] - [ -0.0002001200000000, 0.0002092700000000, 0.0001772600000000 ] - [ -0.0002230100000000, -0.0002061500000000, -0.0002232300000000 ] - [ -0.0002036600000000, -0.0001997900000000, -0.0001942500000000 ] - [ 0.0001890400000000, 0.0001988500000000, -0.0001766500000000 ] - [ 0.0002004600000000, 0.0002130800000000, -0.0001877900000000 ] - [ -0.0001998600000000, 0.0002034900000000, -0.0001871700000000 ] - [ -0.0002042400000000, 0.0002014900000000, -0.0001893900000000 ] - [ 0.0002241500000000, -0.0002114600000000, -0.0002051800000000 ] - [ 0.0001697100000000, -0.0002361000000000, -0.0001735300000000 ] - [ 0.0001795800000000, 0.0001977900000000, 0.0001666100000000 ] - [ 0.0002341200000000, 0.0001726300000000, 0.0001983100000000 ] - [ -0.0002038900000000, -0.0002056300000000, 0.0001838400000000 ] - [ -0.0001992000000000, -0.0002074700000000, 0.0001816300000000 ] - [ 0.0001775000000000, 0.0002617200000000, 0.0002945300000000 ] - [ 0.0002695400000000, 0.0002309700000000, 0.0001665000000000 ] - [ -0.0003143100000000, -0.0003937400000000, 0.0002235500000000 ] - [ -0.0002638700000000, -0.0002854500000000, 0.0001397700000000 ] - [ -0.0002327500000000, 0.0000796000000000, -0.0001075400000000 ] - [ -0.0002833200000000, 0.0001876200000000, -0.0001891400000000 ] - [ 0.0003716100000000, -0.0002122200000000, -0.0000330400000000 ] - [ 0.0002772300000000, -0.0002422800000000, -0.0001629100000000 ] - [ 0.0000146700000000, -0.0000930500000000, 0.0001909900000000 ] - [ 0.0000239900000000, -0.0001277600000000, 0.0001266500000000 ] - [ -0.0005662600000000, -0.0004902700000000, -0.0013796100000000 ] - [ -0.0000009800000000, 0.0001219800000000, 0.0001289000000000 ] - [ 0.0005740700000000, -0.0007220200000000, -0.0016261900000000 ] - [ -0.0000011600000000, -0.0001078100000000, -0.0001244600000000 ] - [ -0.0000164200000000, 0.0001373800000000, -0.0000638000000000 ] - [ -0.0000254900000000, 0.0001044400000000, -0.0001258700000000 ] - [ -0.0000486200000000, 0.0003038000000000, -0.0002028900000000 ] - [ -0.0000000800000000, 0.0002605900000000, -0.0001490600000000 ] - [ -0.0002488900000000, 0.0004003600000000, -0.0006535000000000 ] - [ -0.0000004300000000, -0.0002448100000000, -0.0001471200000000 ] - [ 0.0002532400000000, 0.0009139300000000, -0.0003591200000000 ] - [ -0.0000012600000000, 0.0002653200000000, 0.0001452800000000 ] - [ 0.0000471000000000, -0.0002062700000000, 0.0000890200000000 ] - [ -0.0000015200000000, -0.0002494700000000, 0.0001439700000000 ] - [ 0.0001276500000000, -0.0004636900000000, 0.0147212600000000 ] - [ 0.0000456900000000, 0.0000042600000000, -0.0000018200000000 ] - [ -0.0000424600000000, -0.0005797100000000, -0.0005678000000000 ] - [ -0.0000437900000000, 0.0000065800000000, 0.0000046700000000 ] - [ -0.0000572500000000, -0.0000345300000000, 0.0002702900000000 ] - [ -0.0000501100000000, 0.0000048400000000, -0.0000008600000000 ] - [ 0.0000479900000000, -0.0000404300000000, 0.0001085200000000 ] - [ 0.0000491900000000, 0.0000082500000000, 0.0000025800000000 ] - [ -0.0002906000000000, -0.0003725900000000, 0.0001561400000000 ] - [ 0.0000018600000000, -0.0001059100000000, 0.0001108900000000 ] - [ 0.0000994600000000, 0.0001000300000000, -0.0000225200000000 ] - [ 0.0000283500000000, 0.0000944800000000, 0.0001525400000000 ] - [ -0.0000996100000000, -0.0001295900000000, -0.0002744700000000 ] - [ -0.0000279100000000, -0.0001362900000000, -0.0001013900000000 ] - [ 0.0002920400000000, -0.0001397700000000, -0.0000975000000000 ] - [ 0.0000006900000000, 0.0001246100000000, -0.0001425600000000 ] - [ -0.0004829300000000, 0.0005445700000000, -0.0001913100000000 ] - [ 0.0000018600000000, 0.0002700300000000, -0.0001445800000000 ] - [ -0.0000512600000000, -0.0003716300000000, 0.0000048600000000 ] - [ -0.0000030000000000, -0.0002524800000000, -0.0001557800000000 ] - [ 0.0000507200000000, 0.0001337000000000, 0.0002982600000000 ] - [ 0.0000035300000000, 0.0002572400000000, 0.0001371100000000 ] - [ 0.0004773300000000, 0.0000243300000000, 0.0000990400000000 ] - [ 0.0000004200000000, -0.0002357700000000, 0.0001508800000000 ] - [ 0.0000341200000000, -0.0000020900000000, -0.0000117500000000 ] - [ 0.0000622500000000, -0.0000026600000000, -0.0000116300000000 ] - [ -0.0000632500000000, 0.0000014600000000, 0.0000053500000000 ] - [ -0.0000391700000000, 0.0000011600000000, 0.0000058700000000 ] - [ 0.0000938000000000, 0.0001140300000000, 0.0001129900000000 ] - [ -0.0001856700000000, 0.0001115700000000, 0.0001126300000000 ] - [ 0.0000517000000000, 0.0000340900000000, -0.0000264500000000 ] - [ 0.0000452000000000, 0.0000330300000000, -0.0000258500000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000029100000000, -0.0000978200000000, -0.0000314700000000 ] - [ -0.0000933100000000, -0.0002819900000000, -0.0001668000000000 ] - [ 0.0000001100000000, -0.0000283700000000, 0.0000508800000000 ] - [ -0.0000423000000000, -0.0001683600000000, 0.0002774900000000 ] - [ 0.0001444200000000, 0.0000472400000000, -0.0011657400000000 ] - [ 0.0000001900000000, -0.0000786000000000, 0.0000441100000000 ] - [ 0.0002978500000000, 0.0015687200000000, 0.0014970200000000 ] - [ 0.0000008400000000, -0.0000298300000000, -0.0000675400000000 ] - [ 0.0001567300000000, 0.0000079400000000, 0.0000070200000000 ] - [ 0.0002614500000000, -0.0000064700000000, -0.0000011500000000 ] - [ -0.0002764600000000, 0.0000017900000000, -0.0000011600000000 ] - [ -0.0001526600000000, -0.0000305700000000, -0.0000046800000000 ] - [ -0.0001522600000000, -0.0000120200000000, 0.0000280900000000 ] - [ -0.0002612700000000, -0.0000013500000000, 0.0000006800000000 ] - [ 0.0007218400000000, -0.0005284200000000, -0.0000402400000000 ] - [ 0.0002303300000000, 0.0000156200000000, 0.0000095200000000 ] - [ -0.0723287100000000, 0.0324065900000000, -0.0114643600000000 ] - [ -0.0002650100000000, 0.0002204800000000, 0.0001690500000000 ] - [ 0.0002357100000000, -0.0002206700000000, 0.0001901400000000 ] - [ 0.0002787400000000, -0.0002580000000000, 0.0001554200000000 ] - [ 0.0002397000000000, 0.0002414900000000, -0.0001468100000000 ] - [ 0.0002387000000000, 0.0001825900000000, -0.0001749500000000 ] - [ -0.0002794700000000, -0.0002440500000000, -0.0001573700000000 ] - [ -0.0014497600000000, 0.0014174100000000, -0.0008040000000000 ] - [ 0.0002132900000000, -0.0001927400000000, 0.0001857700000000 ] - [ 0.0002066000000000, -0.0002095100000000, 0.0001917600000000 ] - [ -0.0006999000000000, 0.0003092300000000, 0.0004799700000000 ] - [ -0.0002205100000000, 0.0001924300000000, 0.0001828300000000 ] - [ -0.0002278900000000, -0.0002118800000000, -0.0001443800000000 ] - [ -0.0002279000000000, -0.0002049600000000, -0.0002287800000000 ] - [ 0.0001702800000000, 0.0002347500000000, -0.0001622000000000 ] - [ 0.0002089300000000, 0.0002007000000000, -0.0001918200000000 ] - [ -0.0001949800000000, 0.0002026400000000, -0.0001792100000000 ] - [ -0.0001945300000000, 0.0002141200000000, -0.0001859200000000 ] - [ 0.0001842600000000, -0.0002314100000000, -0.0001663400000000 ] - [ 0.0001884700000000, -0.0002040500000000, -0.0001678800000000 ] - [ 0.0002474800000000, 0.0001975000000000, 0.0002221400000000 ] - [ 0.0002049100000000, 0.0002056100000000, 0.0001900400000000 ] - [ -0.0002031400000000, -0.0001985800000000, 0.0001808200000000 ] - [ -0.0001929300000000, -0.0002056400000000, 0.0001745600000000 ] - [ 0.0023016900000000, 0.0006057300000000, 0.0000403700000000 ] - [ 0.0002630600000000, 0.0002221200000000, 0.0001707600000000 ] - [ -0.0003035100000000, -0.0002212700000000, 0.0001427400000000 ] - [ -0.0002916700000000, -0.0002554100000000, 0.0001575600000000 ] - [ -0.0002784500000000, 0.0002488300000000, -0.0001646000000000 ] - [ -0.0002790900000000, 0.0002338800000000, -0.0001571000000000 ] - [ 0.0002831600000000, -0.0002514600000000, -0.0001602200000000 ] - [ 0.0002058700000000, -0.0009519500000000, 0.0001048200000000 ] - [ 0.0000077900000000, 0.0000326100000000, 0.0000538000000000 ] - [ -0.0000010000000000, -0.0000458200000000, -0.0000102700000000 ] - [ -0.0000023900000000, 0.0000676300000000, -0.0000218700000000 ] - [ -0.0000006200000000, -0.0000020300000000, 0.0000285400000000 ] - [ -0.0000012600000000, -0.0000378700000000, -0.0000001000000000 ] - [ 0.0000016300000000, -0.0000250800000000, -0.0000035300000000 ] - [ -0.0000011400000000, 0.0000061000000000, -0.0000260900000000 ] - [ 0.0000106200000000, 0.0000227700000000, -0.0000233100000000 ] - [ 0.0002733800000000, 0.0000390500000000, 0.0000218100000000 ] - [ 0.0002240600000000, -0.0000159100000000, 0.0000032100000000 ] - [ 0.0020487900000000, 0.0033202100000000, -0.0011520000000000 ] - [ -0.0002124000000000, -0.0000065700000000, -0.0000008900000000 ] - [ -0.0000301600000000, 0.0000066000000000, 0.0000975700000000 ] - [ -0.0002249000000000, -0.0000169400000000, 0.0000040100000000 ] - [ 0.0005906600000000, 0.0002169400000000, -0.0000690700000000 ] - [ 0.0002104200000000, -0.0000062900000000, -0.0000015400000000 ] - [ -0.0002706900000000, 0.0002402400000000, 0.0001657300000000 ] - [ -0.0002696400000000, 0.0002245900000000, 0.0001825200000000 ] - [ 0.0002767100000000, -0.0002427300000000, 0.0001582900000000 ] - [ 0.0002884300000000, -0.0002368800000000, 0.0001660000000000 ] - [ 0.0002851500000000, 0.0002757900000000, -0.0001556100000000 ] - [ 0.0002695600000000, 0.0002290100000000, -0.0001699200000000 ] - [ -0.0002570000000000, -0.0002419300000000, -0.0001811600000000 ] - [ -0.0002719000000000, -0.0002398900000000, -0.0001615900000000 ] - [ 0.0007136800000000, -0.0017570200000000, 0.0012675900000000 ] - [ 0.0001937000000000, -0.0002085300000000, 0.0001783200000000 ] - [ -0.0002054700000000, 0.0002018300000000, 0.0001893700000000 ] - [ -0.0001792600000000, 0.0002310500000000, 0.0001782100000000 ] - [ -0.0001924300000000, -0.0002241800000000, -0.0001908300000000 ] - [ -0.0001985000000000, -0.0002061000000000, -0.0001819800000000 ] - [ 0.0002083500000000, 0.0002007000000000, -0.0001924000000000 ] - [ 0.0007042900000000, -0.0017972900000000, -0.0000500000000000 ] - [ -0.0002096200000000, 0.0002015300000000, -0.0001931900000000 ] - [ -0.0020318600000000, -0.0000109800000000, -0.0007205800000000 ] - [ 0.0002177700000000, -0.0001882300000000, -0.0001813600000000 ] - [ 0.0001987500000000, -0.0002061400000000, -0.0001821300000000 ] - [ 0.0002055400000000, 0.0002025900000000, 0.0001896300000000 ] - [ 0.0002088100000000, 0.0001928200000000, 0.0001797600000000 ] - [ -0.0020470400000000, -0.0000155700000000, 0.0006842600000000 ] - [ -0.0001951400000000, -0.0002082100000000, 0.0001791200000000 ] - [ 0.0002923200000000, 0.0002353700000000, 0.0001705700000000 ] - [ 0.0002924100000000, 0.0002299300000000, 0.0001356200000000 ] - [ -0.0002770800000000, -0.0002437900000000, 0.0001587600000000 ] - [ -0.0002631100000000, -0.0002142700000000, 0.0001720600000000 ] - [ -0.0002705800000000, 0.0002382600000000, -0.0001614800000000 ] - [ -0.0002695100000000, 0.0002299400000000, -0.0001703500000000 ] - [ 0.0002327400000000, -0.0001666100000000, -0.0001822900000000 ] - [ 0.0002826600000000, -0.0002358100000000, -0.0001658700000000 ] - [ 0.0324605600000000, -0.0210944600000000, -0.0105071600000000 ] - [ 0.0000029100000000, -0.0000910700000000, 0.0000909400000000 ] - [ 0.0000796200000000, 0.0000706500000000, 0.0001715600000000 ] - [ 0.0000339800000000, 0.0001360000000000, 0.0001652500000000 ] - [ 0.0002646300000000, 0.0000208000000000, -0.0001426000000000 ] - [ 0.0000395100000000, -0.0001078100000000, -0.0000288700000000 ] - [ 0.0000022700000000, 0.0001416300000000, -0.0001567800000000 ] - [ 0.0010079800000000, -0.0004826000000000, 0.0001430400000000 ] - [ -0.0000053300000000, 0.0003353000000000, -0.0001090100000000 ] - [ 0.0010052300000000, -0.0004071200000000, -0.0000495400000000 ] - [ -0.0000353300000000, -0.0002458700000000, -0.0001162300000000 ] - [ 0.0000276100000000, -0.0001346600000000, -0.0001244200000000 ] - [ 0.0000874000000000, 0.0000764800000000, -0.0000826500000000 ] - [ -0.0000061700000000, 0.0003228100000000, 0.0001229900000000 ] - [ 0.0316047800000000, -0.0103579200000000, 0.0210548300000000 ] - [ -0.0000000800000000, -0.0002019500000000, 0.0001613900000000 ] - [ 0.0000745500000000, -0.0000401800000000, -0.0000172500000000 ] - [ -0.0000106800000000, 0.0000659600000000, -0.0000254300000000 ] - [ -0.0000019300000000, -0.0000228800000000, 0.0000064700000000 ] - [ -0.0000996300000000, 0.0000261400000000, -0.0000075600000000 ] - [ -0.0001305200000000, 0.0000681000000000, -0.0003677900000000 ] - [ -0.0000171700000000, -0.0000116200000000, 0.0000292400000000 ] - [ -0.0001896400000000, -0.0001509500000000, -0.0000372200000000 ] - [ 0.0000624800000000, -0.0000189400000000, 0.0000278700000000 ] - [ 0.0000068500000000, -0.0001234900000000, 0.0001116000000000 ] - [ -0.0000563000000000, -0.0001087800000000, 0.0001108100000000 ] - [ -0.0000026200000000, 0.0001296600000000, 0.0001327500000000 ] - [ -0.0000250500000000, 0.0001400700000000, 0.0001372400000000 ] - [ -0.0000341600000000, -0.0001792100000000, -0.0001200900000000 ] - [ -0.0000016600000000, -0.0000972700000000, -0.0001175000000000 ] - [ -0.0000027800000000, 0.0000835600000000, -0.0001215700000000 ] - [ -0.0000061500000000, 0.0001299200000000, -0.0001318100000000 ] - [ 0.0000152000000000, 0.0002198600000000, -0.0001382700000000 ] - [ 0.0000021900000000, 0.0002806900000000, -0.0001501500000000 ] - [ -0.0000500000000000, -0.0003260400000000, -0.0001836400000000 ] - [ -0.0000008500000000, -0.0002276900000000, -0.0001470900000000 ] - [ -0.0000025800000000, 0.0002730400000000, 0.0001468000000000 ] - [ -0.0000410600000000, 0.0002677300000000, 0.0001594900000000 ] - [ 0.0000038600000000, -0.0002473700000000, 0.0001541600000000 ] - [ -0.0000398700000000, -0.0002644100000000, 0.0001493100000000 ] - [ 0.0000034600000000, -0.0000187900000000, -0.0000065700000000 ] - [ 0.0000449500000000, 0.0000126000000000, 0.0000009200000000 ] - [ 0.0036500600000000, 0.0015038000000000, -0.0001116200000000 ] - [ -0.0000553800000000, 0.0000210400000000, 0.0000053600000000 ] - [ -0.0002072500000000, -0.0000135100000000, 0.0000211800000000 ] - [ -0.0000438000000000, 0.0000111200000000, 0.0000007800000000 ] - [ 0.0013051400000000, -0.0032790600000000, 0.0011573200000000 ] - [ 0.0000533900000000, 0.0000197700000000, 0.0000053600000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000029900000000, 0.0000556500000000, 0.0000497600000000 ] - [ 0.0000929000000000, 0.0002432100000000, 0.0001876100000000 ] - [ -0.0000000400000000, 0.0000714500000000, -0.0000322100000000 ] - [ 0.0000421000000000, 0.0002148500000000, -0.0002626300000000 ] - [ -0.0001600900000000, -0.0000917600000000, 0.0011583300000000 ] - [ 0.0000000500000000, 0.0000363400000000, -0.0000634700000000 ] - [ -0.0003083200000000, -0.0015319600000000, -0.0015279100000000 ] - [ -0.0000005800000000, 0.0000735400000000, 0.0000501900000000 ] - [ 0.0002760500000000, -0.0000074800000000, -0.0000074800000000 ] - [ 0.0001712800000000, 0.0000063700000000, 0.0000007400000000 ] - [ -0.0001635500000000, -0.0000030600000000, 0.0000012600000000 ] - [ -0.0002830800000000, 0.0000310900000000, 0.0000052800000000 ] - [ -0.0002794800000000, 0.0000128600000000, -0.0000279600000000 ] - [ -0.0001728600000000, 0.0000016000000000, -0.0000002900000000 ] - [ -0.0003019100000000, 0.0005425600000000, 0.0000413800000000 ] - [ 0.0002069800000000, -0.0000143200000000, -0.0000094700000000 ] - [ 0.0700404900000000, -0.0307577200000000, 0.0113711400000000 ] - [ -0.0002841800000000, 0.0002507400000000, 0.0001600300000000 ] - [ 0.0003148800000000, -0.0002525300000000, 0.0001383600000000 ] - [ 0.0002693500000000, -0.0002126400000000, 0.0001748300000000 ] - [ 0.0003100400000000, 0.0002298000000000, -0.0001827900000000 ] - [ 0.0003097400000000, 0.0002889200000000, -0.0001538800000000 ] - [ -0.0002695900000000, -0.0002269700000000, -0.0001727100000000 ] - [ 0.0008954200000000, -0.0018521600000000, 0.0004615600000000 ] - [ 0.0001911100000000, -0.0002164800000000, 0.0001841000000000 ] - [ 0.0001985000000000, -0.0001988300000000, 0.0001784900000000 ] - [ 0.0002996200000000, 0.0000945700000000, -0.0001104100000000 ] - [ -0.0001851400000000, 0.0002165000000000, 0.0001873600000000 ] - [ -0.0001763900000000, -0.0001980000000000, -0.0002266200000000 ] - [ -0.0001782600000000, -0.0002035100000000, -0.0001425800000000 ] - [ 0.0002344400000000, 0.0001742800000000, -0.0002053500000000 ] - [ 0.0001964600000000, 0.0002082600000000, -0.0001784200000000 ] - [ -0.0002117500000000, 0.0002065800000000, -0.0001920600000000 ] - [ -0.0002115600000000, 0.0001949300000000, -0.0001837600000000 ] - [ 0.0002219000000000, -0.0001773500000000, -0.0002044300000000 ] - [ 0.0002168300000000, -0.0002051100000000, -0.0002019200000000 ] - [ 0.0001593600000000, 0.0002118200000000, 0.0001496200000000 ] - [ 0.0002003800000000, 0.0002036000000000, 0.0001796200000000 ] - [ -0.0002035100000000, -0.0002088300000000, 0.0001901800000000 ] - [ -0.0002126500000000, -0.0002032300000000, 0.0001950600000000 ] - [ -0.0016808900000000, -0.0001374000000000, 0.0002898100000000 ] - [ 0.0002864800000000, 0.0002494500000000, 0.0001587900000000 ] - [ -0.0002451400000000, -0.0002494100000000, 0.0001866300000000 ] - [ -0.0002567400000000, -0.0002156300000000, 0.0001718200000000 ] - [ -0.0002694600000000, 0.0002214100000000, -0.0001658200000000 ] - [ -0.0002699200000000, 0.0002386600000000, -0.0001725700000000 ] - [ 0.0002662600000000, -0.0002192600000000, -0.0001684600000000 ] - [ 0.0003418200000000, 0.0004779400000000, -0.0004331200000000 ] - [ -0.0000084200000000, -0.0000768600000000, -0.0000360600000000 ] - [ 0.0000003600000000, 0.0000038000000000, 0.0000295900000000 ] - [ 0.0000017200000000, -0.0000250700000000, 0.0000407700000000 ] - [ 0.0000000000000000, 0.0000458000000000, -0.0000107800000000 ] - [ 0.0000009800000000, -0.0000037700000000, -0.0000189900000000 ] - [ -0.0000018100000000, -0.0000185300000000, -0.0000144400000000 ] - [ 0.0000008700000000, 0.0000383200000000, 0.0000084500000000 ] - [ -0.0000109200000000, 0.0000192000000000, 0.0000043600000000 ] - [ 0.0001628000000000, -0.0000397400000000, -0.0000229500000000 ] - [ 0.0002102900000000, 0.0000160500000000, -0.0000036400000000 ] - [ -0.0025203800000000, -0.0033947700000000, 0.0011780500000000 ] - [ -0.0002207800000000, 0.0000069600000000, 0.0000013600000000 ] - [ -0.0004077700000000, -0.0000061000000000, -0.0000964700000000 ] - [ -0.0002101600000000, 0.0000169800000000, -0.0000035100000000 ] - [ -0.0001624300000000, -0.0002145200000000, 0.0000677800000000 ] - [ 0.0002228900000000, 0.0000064500000000, 0.0000011000000000 ] - [ -0.0002795200000000, 0.0002325800000000, 0.0001630200000000 ] - [ -0.0002792000000000, 0.0002462600000000, 0.0001468600000000 ] - [ 0.0002716500000000, -0.0002279300000000, 0.0001714800000000 ] - [ 0.0002600300000000, -0.0002344000000000, 0.0001635300000000 ] - [ 0.0002631500000000, 0.0001939700000000, -0.0001733600000000 ] - [ 0.0002795000000000, 0.0002422700000000, -0.0001589800000000 ] - [ -0.0002927700000000, -0.0002300000000000, -0.0001476900000000 ] - [ -0.0002774300000000, -0.0002311700000000, -0.0001684100000000 ] - [ -0.0002814000000000, 0.0013185000000000, -0.0008663200000000 ] - [ 0.0002120300000000, -0.0002006400000000, 0.0001914400000000 ] - [ -0.0002004700000000, 0.0002070000000000, 0.0001808200000000 ] - [ -0.0002265700000000, 0.0001778900000000, 0.0001912300000000 ] - [ -0.0002134600000000, -0.0001848500000000, -0.0001787600000000 ] - [ -0.0002074500000000, -0.0002030800000000, -0.0001881500000000 ] - [ 0.0001978900000000, 0.0002083700000000, -0.0001779500000000 ] - [ -0.0002729600000000, 0.0021645100000000, -0.0003267000000000 ] - [ -0.0001964000000000, 0.0002080500000000, -0.0001765900000000 ] - [ 0.0016145500000000, 0.0004284500000000, 0.0003572300000000 ] - [ 0.0001872000000000, -0.0002209200000000, -0.0001888300000000 ] - [ 0.0002064800000000, -0.0002031200000000, -0.0001877700000000 ] - [ 0.0001996000000000, 0.0002066900000000, 0.0001801200000000 ] - [ 0.0001964800000000, 0.0002171500000000, 0.0001902400000000 ] - [ 0.0016302800000000, -0.0003909500000000, -0.0003260100000000 ] - [ -0.0002104800000000, -0.0002012500000000, 0.0001904000000000 ] - [ 0.0002549700000000, 0.0002364300000000, 0.0001589800000000 ] - [ 0.0002554700000000, 0.0002423200000000, 0.0001950000000000 ] - [ -0.0002721400000000, -0.0002269900000000, 0.0001700800000000 ] - [ -0.0002861400000000, -0.0002563500000000, 0.0001570800000000 ] - [ -0.0002789300000000, 0.0002333900000000, -0.0001677300000000 ] - [ -0.0002801000000000, 0.0002418500000000, -0.0001590200000000 ] - [ 0.0003152500000000, -0.0003007600000000, -0.0001485700000000 ] - [ 0.0002659300000000, -0.0002356200000000, -0.0001632600000000 ] - [ -0.0315619200000000, 0.0200070900000000, 0.0103323800000000 ] - [ -0.0000039700000000, -0.0001412100000000, 0.0001636100000000 ] - [ -0.0000896900000000, 0.0001646800000000, 0.0000905600000000 ] - [ -0.0000362000000000, 0.0000938700000000, 0.0000846500000000 ] - [ -0.0002714100000000, -0.0002548800000000, -0.0001122000000000 ] - [ -0.0000406500000000, -0.0001211600000000, -0.0002266500000000 ] - [ -0.0000030300000000, 0.0000895800000000, -0.0000972500000000 ] - [ -0.0010093900000000, 0.0006962300000000, -0.0003740200000000 ] - [ 0.0000041900000000, 0.0001723100000000, -0.0001835900000000 ] - [ -0.0010085000000000, 0.0008902400000000, -0.0002460700000000 ] - [ 0.0000349800000000, -0.0002646600000000, -0.0001764800000000 ] - [ -0.0000296300000000, -0.0003746900000000, -0.0001682800000000 ] - [ -0.0000918800000000, 0.0004410800000000, 0.0003748100000000 ] - [ 0.0000049200000000, 0.0001882900000000, 0.0001676400000000 ] - [ -0.0307140100000000, 0.0094530400000000, -0.0198995200000000 ] - [ -0.0000000100000000, -0.0003087300000000, 0.0001312300000000 ] - [ 0.0000289800000000, 0.0000398300000000, 0.0000155900000000 ] - [ 0.0001064800000000, -0.0000650700000000, 0.0000250700000000 ] - [ -0.0000919600000000, 0.0000221100000000, -0.0000064700000000 ] - [ 0.0000068800000000, -0.0000262400000000, 0.0000073000000000 ] - [ 0.0000309700000000, -0.0000700400000000, 0.0003762200000000 ] - [ -0.0000857700000000, 0.0000127800000000, -0.0000284600000000 ] - [ 0.0003018500000000, 0.0001499900000000, 0.0000374400000000 ] - [ 0.0000354400000000, 0.0000200900000000, -0.0000290800000000 ] - [ -0.0000059200000000, -0.0001098100000000, 0.0001415400000000 ] - [ 0.0000587500000000, -0.0001215300000000, 0.0001417200000000 ] - [ 0.0000020100000000, 0.0000997900000000, 0.0001210600000000 ] - [ 0.0000258500000000, 0.0000899700000000, 0.0001161200000000 ] - [ 0.0000368800000000, -0.0000499100000000, -0.0001292200000000 ] - [ 0.0000016000000000, -0.0001334600000000, -0.0001344900000000 ] - [ 0.0000055300000000, 0.0001431500000000, -0.0001334600000000 ] - [ 0.0000082500000000, 0.0001006400000000, -0.0001225100000000 ] - [ -0.0000130100000000, 0.0002914000000000, -0.0001524900000000 ] - [ -0.0000011600000000, 0.0002256700000000, -0.0001453000000000 ] - [ 0.0000524100000000, -0.0001817700000000, -0.0001073500000000 ] - [ 0.0000000900000000, -0.0002814600000000, -0.0001452300000000 ] - [ 0.0000027000000000, 0.0002328000000000, 0.0001474200000000 ] - [ 0.0000432400000000, 0.0002404100000000, 0.0001345200000000 ] - [ -0.0000038100000000, -0.0002691700000000, 0.0001351900000000 ] - [ 0.0000423300000000, -0.0002415600000000, 0.0001446200000000 ] - [ 0.0000960800000000, 0.0000199000000000, 0.0000078400000000 ] - [ 0.0000527100000000, -0.0000132100000000, -0.0000003900000000 ] - [ -0.0038080200000000, -0.0012460300000000, 0.0000157900000000 ] - [ -0.0000452300000000, -0.0000219300000000, -0.0000049600000000 ] - [ 0.0001131100000000, 0.0000138900000000, -0.0000203300000000 ] - [ -0.0000541600000000, -0.0000118800000000, 0.0000002600000000 ] - [ -0.0011979400000000, 0.0032243500000000, -0.0011369200000000 ] - [ 0.0000444400000000, -0.0000200100000000, -0.0000055200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000004700000000, 0.0000907700000000, 0.0001212300000000 ] - [ 0.0000912300000000, 0.0002365500000000, 0.0003596300000000 ] - [ -0.0000020200000000, 0.0001224300000000, -0.0000870900000000 ] - [ -0.0000385600000000, 0.0000994600000000, -0.0002937600000000 ] - [ -0.0000113500000000, -0.0007359100000000, 0.0002692900000000 ] - [ -0.0000002300000000, 0.0000541800000000, -0.0000844700000000 ] - [ 0.0013853800000000, 0.0007895600000000, 0.0026041200000000 ] - [ 0.0000011600000000, 0.0001025400000000, 0.0000666900000000 ] - [ 0.0003114300000000, -0.0000022200000000, -0.0000091500000000 ] - [ 0.0001513600000000, -0.0000011900000000, -0.0000007000000000 ] - [ -0.0001889500000000, -0.0000068700000000, -0.0000009100000000 ] - [ -0.0002947400000000, 0.0000356800000000, 0.0000050500000000 ] - [ -0.0003250900000000, 0.0000067600000000, -0.0000276800000000 ] - [ -0.0001505100000000, -0.0000014300000000, -0.0000083500000000 ] - [ -0.0000295900000000, 0.0009271800000000, 0.0001600400000000 ] - [ 0.0003902300000000, 0.0001099800000000, 0.0000492800000000 ] - [ 0.0310013400000000, -0.0847456400000000, 0.0132180400000000 ] - [ -0.0002892400000000, 0.0002545500000000, 0.0001543800000000 ] - [ 0.0002909900000000, -0.0002227900000000, 0.0001750800000000 ] - [ 0.0002511300000000, -0.0002151300000000, 0.0001727600000000 ] - [ 0.0003286000000000, 0.0002631300000000, -0.0001714100000000 ] - [ 0.0002691400000000, 0.0002625600000000, -0.0001625100000000 ] - [ -0.0002654400000000, -0.0002093600000000, -0.0001618900000000 ] - [ -0.0018902200000000, 0.0022544000000000, -0.0015223700000000 ] - [ 0.0002158500000000, -0.0002151900000000, 0.0001897100000000 ] - [ 0.0002035800000000, -0.0001950400000000, 0.0001893200000000 ] - [ 0.0000918900000000, 0.0010482800000000, -0.0015063200000000 ] - [ -0.0001938200000000, 0.0002141100000000, 0.0001708400000000 ] - [ -0.0001595000000000, -0.0001937000000000, -0.0002882300000000 ] - [ -0.0002452300000000, -0.0001843200000000, -0.0002657100000000 ] - [ 0.0001909100000000, 0.0001944800000000, -0.0001246500000000 ] - [ 0.0002024000000000, 0.0002021300000000, -0.0001810500000000 ] - [ -0.0002027000000000, 0.0002148900000000, -0.0001918700000000 ] - [ -0.0002009000000000, 0.0002003800000000, -0.0001796100000000 ] - [ 0.0002154000000000, -0.0001797500000000, -0.0001872900000000 ] - [ 0.0002271000000000, -0.0002128900000000, -0.0001922200000000 ] - [ 0.0001683000000000, 0.0001801300000000, 0.0001587900000000 ] - [ 0.0001958300000000, 0.0002072000000000, 0.0001776600000000 ] - [ -0.0002010400000000, -0.0001939400000000, 0.0001924000000000 ] - [ -0.0002017300000000, -0.0002010400000000, 0.0001884000000000 ] - [ -0.0000981700000000, -0.0017975300000000, 0.0004451500000000 ] - [ 0.0002887400000000, 0.0002582100000000, 0.0001554600000000 ] - [ -0.0002877700000000, -0.0002833900000000, 0.0001929900000000 ] - [ -0.0002539800000000, -0.0002234400000000, 0.0001736300000000 ] - [ -0.0002767500000000, 0.0002414400000000, -0.0001591700000000 ] - [ -0.0002605600000000, 0.0002432300000000, -0.0001645500000000 ] - [ 0.0002586400000000, -0.0002116600000000, -0.0001697200000000 ] - [ -0.0004393000000000, 0.0001111100000000, -0.0005003900000000 ] - [ -0.0000166100000000, -0.0000858100000000, -0.0000062500000000 ] - [ -0.0000007400000000, 0.0000233400000000, 0.0000524000000000 ] - [ -0.0000089900000000, -0.0000047600000000, 0.0000289200000000 ] - [ -0.0000002200000000, 0.0000694600000000, -0.0000290700000000 ] - [ -0.0000019400000000, 0.0000172000000000, -0.0000335400000000 ] - [ -0.0000036000000000, -0.0000746700000000, 0.0000326700000000 ] - [ -0.0000005900000000, 0.0000541100000000, 0.0000191300000000 ] - [ -0.0000015800000000, -0.0000323200000000, -0.0000614500000000 ] - [ 0.0001541000000000, -0.0000746400000000, -0.0000133000000000 ] - [ 0.0002111800000000, 0.0000259800000000, -0.0000055600000000 ] - [ 0.0028184500000000, 0.0008124600000000, -0.0005001700000000 ] - [ -0.0002262000000000, 0.0000114100000000, 0.0000028300000000 ] - [ -0.0002974000000000, -0.0000293400000000, 0.0000240900000000 ] - [ -0.0002114100000000, 0.0000270900000000, -0.0000055900000000 ] - [ -0.0001659000000000, -0.0001475600000000, -0.0000239500000000 ] - [ 0.0002245900000000, 0.0000127700000000, 0.0000028000000000 ] - [ -0.0002857900000000, 0.0002437700000000, 0.0001646100000000 ] - [ -0.0002711200000000, 0.0002427200000000, 0.0001528100000000 ] - [ 0.0002663300000000, -0.0002251700000000, 0.0001768100000000 ] - [ 0.0002732100000000, -0.0002581600000000, 0.0001589800000000 ] - [ 0.0002333200000000, 0.0001456000000000, -0.0001809000000000 ] - [ 0.0002810400000000, 0.0002503600000000, -0.0001558300000000 ] - [ -0.0002689700000000, -0.0002043000000000, -0.0001528300000000 ] - [ -0.0002700500000000, -0.0002288600000000, -0.0001711400000000 ] - [ 0.0003151700000000, -0.0009623300000000, 0.0004798800000000 ] - [ 0.0002090700000000, -0.0002018100000000, 0.0001942400000000 ] - [ -0.0001968000000000, 0.0002079900000000, 0.0001797800000000 ] - [ -0.0002206200000000, 0.0001750200000000, 0.0002014400000000 ] - [ -0.0002156200000000, -0.0001965200000000, -0.0001861300000000 ] - [ -0.0002086400000000, -0.0002009000000000, -0.0001925600000000 ] - [ 0.0001899600000000, 0.0002089500000000, -0.0001757800000000 ] - [ -0.0008209200000000, 0.0005445600000000, -0.0005100700000000 ] - [ -0.0001911600000000, 0.0002094600000000, -0.0001767400000000 ] - [ 0.0002767500000000, 0.0017470300000000, 0.0017682800000000 ] - [ 0.0001927400000000, -0.0002070600000000, -0.0001825900000000 ] - [ 0.0002083200000000, -0.0002014300000000, -0.0001924000000000 ] - [ 0.0001966900000000, 0.0002081000000000, 0.0001794400000000 ] - [ 0.0001942300000000, 0.0002410700000000, 0.0001574600000000 ] - [ 0.0003584400000000, -0.0011589600000000, -0.0017708300000000 ] - [ -0.0002116400000000, -0.0001998200000000, 0.0001947300000000 ] - [ 0.0002802100000000, 0.0002542100000000, 0.0001559400000000 ] - [ 0.0002751900000000, 0.0002544600000000, 0.0001640900000000 ] - [ -0.0002663900000000, -0.0002229200000000, 0.0001744100000000 ] - [ -0.0002949300000000, -0.0002637400000000, 0.0001486800000000 ] - [ -0.0002717500000000, 0.0002304100000000, -0.0001739900000000 ] - [ -0.0002810100000000, 0.0002502100000000, -0.0001559700000000 ] - [ 0.0003413600000000, -0.0000970800000000, -0.0002672000000000 ] - [ 0.0002740500000000, -0.0002325200000000, -0.0001720800000000 ] - [ -0.0207363900000000, 0.0256096600000000, 0.0109691000000000 ] - [ 0.0000023600000000, -0.0001563200000000, 0.0001725000000000 ] - [ 0.0003434300000000, 0.0000126800000000, -0.0001780100000000 ] - [ 0.0000300800000000, 0.0000414700000000, 0.0000557800000000 ] - [ -0.0002592500000000, -0.0002223400000000, -0.0002945900000000 ] - [ -0.0000657300000000, -0.0001297600000000, -0.0003131300000000 ] - [ 0.0000118700000000, 0.0000779900000000, -0.0000527600000000 ] - [ -0.0007563500000000, 0.0022656700000000, -0.0002181100000000 ] - [ 0.0000079600000000, 0.0001565200000000, -0.0001874300000000 ] - [ -0.0017182700000000, 0.0027177900000000, -0.0016246000000000 ] - [ 0.0000142900000000, -0.0003020500000000, -0.0001488300000000 ] - [ 0.0000241500000000, -0.0003215700000000, -0.0001135500000000 ] - [ -0.0000391600000000, 0.0002039200000000, 0.0005319800000000 ] - [ 0.0000085700000000, 0.0001691400000000, 0.0001600500000000 ] - [ -0.0087264400000000, 0.0072132700000000, -0.0096012900000000 ] - [ -0.0000011000000000, -0.0003416500000000, 0.0001246900000000 ] - [ -0.0000140200000000, 0.0000262200000000, 0.0000350700000000 ] - [ 0.0001199300000000, -0.0000280200000000, 0.0000229700000000 ] - [ -0.0001028100000000, 0.0000059400000000, -0.0000108200000000 ] - [ 0.0000197300000000, -0.0000105500000000, 0.0000063900000000 ] - [ -0.0000425900000000, 0.0001524000000000, 0.0004567800000000 ] - [ -0.0001261700000000, 0.0000178600000000, 0.0001112300000000 ] - [ -0.0001216800000000, -0.0001219200000000, 0.0000001900000000 ] - [ -0.0000935800000000, 0.0000216200000000, 0.0000063900000000 ] - [ 0.0000349500000000, -0.0001651100000000, 0.0001039300000000 ] - [ 0.0000154000000000, -0.0001292700000000, 0.0000872700000000 ] - [ 0.0000005000000000, 0.0000858200000000, 0.0001172500000000 ] - [ 0.0000160800000000, 0.0001493500000000, 0.0001583700000000 ] - [ 0.0000773000000000, -0.0000467000000000, -0.0001266000000000 ] - [ -0.0000004300000000, -0.0001429900000000, -0.0001454200000000 ] - [ 0.0000852900000000, -0.0000201700000000, -0.0001779600000000 ] - [ -0.0000035700000000, 0.0000867700000000, -0.0001151400000000 ] - [ 0.0000966200000000, 0.0002962800000000, -0.0000874400000000 ] - [ 0.0000013700000000, 0.0002120600000000, -0.0001539600000000 ] - [ 0.0000628800000000, -0.0001857700000000, -0.0001022700000000 ] - [ -0.0000005100000000, -0.0003014100000000, -0.0001406900000000 ] - [ -0.0000015500000000, 0.0002081500000000, 0.0001502100000000 ] - [ 0.0000440700000000, 0.0003011200000000, 0.0001580400000000 ] - [ -0.0000120000000000, -0.0002656600000000, 0.0001523000000000 ] - [ 0.0000119100000000, -0.0002173800000000, 0.0001659900000000 ] - [ 0.0001280800000000, 0.0000584100000000, 0.0000445000000000 ] - [ 0.0000575200000000, -0.0000221800000000, -0.0000006100000000 ] - [ -0.0004064300000000, 0.0423884800000000, -0.0120744300000000 ] - [ -0.0000489600000000, -0.0000256400000000, -0.0000151000000000 ] - [ 0.0000178600000000, 0.0000085500000000, -0.0000100800000000 ] - [ -0.0000559000000000, -0.0000208800000000, 0.0000012400000000 ] - [ -0.0007278800000000, 0.0010730900000000, -0.0001566000000000 ] - [ 0.0000420100000000, -0.0000328400000000, -0.0000101800000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000005100000000, -0.0001301900000000, -0.0001001400000000 ] - [ -0.0000926100000000, -0.0002769200000000, -0.0003395600000000 ] - [ 0.0000021500000000, -0.0000762200000000, 0.0001028500000000 ] - [ 0.0000383700000000, -0.0000536100000000, 0.0003100900000000 ] - [ 0.0000029000000000, 0.0006972600000000, -0.0002686400000000 ] - [ 0.0000005800000000, -0.0000955000000000, 0.0000642600000000 ] - [ -0.0013712700000000, -0.0007412000000000, -0.0025863700000000 ] - [ -0.0000008200000000, -0.0000576700000000, -0.0000831900000000 ] - [ 0.0001262600000000, 0.0000025900000000, 0.0000083900000000 ] - [ 0.0002827600000000, 0.0000016000000000, 0.0000002100000000 ] - [ -0.0002437300000000, 0.0000072900000000, 0.0000010300000000 ] - [ -0.0001393800000000, -0.0000350000000000, -0.0000044800000000 ] - [ -0.0001119600000000, -0.0000060900000000, 0.0000268900000000 ] - [ -0.0002848200000000, 0.0000021600000000, 0.0000087900000000 ] - [ 0.0004423300000000, -0.0008922100000000, -0.0001541100000000 ] - [ 0.0000432300000000, -0.0001090600000000, -0.0000498900000000 ] - [ -0.0321577400000000, 0.0878527900000000, -0.0133627400000000 ] - [ -0.0002600800000000, 0.0002174900000000, 0.0001743100000000 ] - [ 0.0002589700000000, -0.0002489000000000, 0.0001544700000000 ] - [ 0.0002971200000000, -0.0002550400000000, 0.0001575100000000 ] - [ 0.0002221900000000, 0.0002092600000000, -0.0001579700000000 ] - [ 0.0002804800000000, 0.0002098800000000, -0.0001663700000000 ] - [ -0.0002832300000000, -0.0002609200000000, -0.0001678500000000 ] - [ 0.0013781700000000, -0.0028162100000000, 0.0012331800000000 ] - [ 0.0001894800000000, -0.0001941300000000, 0.0001798400000000 ] - [ 0.0002020400000000, -0.0002135200000000, 0.0001811400000000 ] - [ -0.0004892400000000, -0.0006194500000000, 0.0018307600000000 ] - [ -0.0002116400000000, 0.0001947900000000, 0.0001998200000000 ] - [ -0.0002445900000000, -0.0002143900000000, -0.0000845000000000 ] - [ -0.0001595700000000, -0.0002240900000000, -0.0001036400000000 ] - [ 0.0002141300000000, 0.0002154300000000, -0.0002422100000000 ] - [ 0.0002028800000000, 0.0002071300000000, -0.0001890800000000 ] - [ -0.0002034900000000, 0.0001946700000000, -0.0001789700000000 ] - [ -0.0002043300000000, 0.0002095500000000, -0.0001899600000000 ] - [ 0.0001904900000000, -0.0002281500000000, -0.0001831600000000 ] - [ 0.0001782400000000, -0.0001958300000000, -0.0001778100000000 ] - [ 0.0002368600000000, 0.0002286000000000, 0.0002117600000000 ] - [ 0.0002097200000000, 0.0002021600000000, 0.0001922100000000 ] - [ -0.0002048300000000, -0.0002140900000000, 0.0001782800000000 ] - [ -0.0002038100000000, -0.0002074500000000, 0.0001813100000000 ] - [ 0.0006441400000000, 0.0022789900000000, -0.0001128600000000 ] - [ 0.0002610000000000, 0.0002141000000000, 0.0001736800000000 ] - [ -0.0002611800000000, -0.0001872200000000, 0.0001367000000000 ] - [ -0.0002941700000000, -0.0002468800000000, 0.0001557500000000 ] - [ -0.0002718900000000, 0.0002297500000000, -0.0001708200000000 ] - [ -0.0002893000000000, 0.0002304000000000, -0.0001651000000000 ] - [ 0.0002903200000000, -0.0002583500000000, -0.0001591300000000 ] - [ 0.0009904200000000, -0.0005833500000000, 0.0001739000000000 ] - [ 0.0000156400000000, 0.0000396300000000, 0.0000226200000000 ] - [ 0.0000002100000000, -0.0000637300000000, -0.0000321100000000 ] - [ 0.0000084100000000, 0.0000458900000000, -0.0000090400000000 ] - [ -0.0000002500000000, -0.0000243100000000, 0.0000453200000000 ] - [ 0.0000016600000000, -0.0000586400000000, 0.0000151500000000 ] - [ 0.0000037100000000, 0.0000317500000000, -0.0000509000000000 ] - [ 0.0000003500000000, -0.0000098500000000, -0.0000370300000000 ] - [ 0.0000023300000000, 0.0000760900000000, 0.0000417500000000 ] - [ 0.0002817200000000, 0.0000737300000000, 0.0000127000000000 ] - [ 0.0002221200000000, -0.0000250200000000, 0.0000049800000000 ] - [ -0.0032348100000000, -0.0007610100000000, 0.0004885700000000 ] - [ -0.0002086000000000, -0.0000106500000000, -0.0000023800000000 ] - [ -0.0001384500000000, 0.0000293100000000, -0.0000246800000000 ] - [ -0.0002220900000000, -0.0000262200000000, 0.0000059400000000 ] - [ 0.0005985600000000, 0.0001484700000000, 0.0000233600000000 ] - [ 0.0002104200000000, -0.0000121100000000, -0.0000032000000000 ] - [ -0.0002638700000000, 0.0002286300000000, 0.0001642100000000 ] - [ -0.0002782700000000, 0.0002289600000000, 0.0001761500000000 ] - [ 0.0002824900000000, -0.0002457200000000, 0.0001533100000000 ] - [ 0.0002758200000000, -0.0002134200000000, 0.0001705000000000 ] - [ 0.0003150200000000, 0.0003246100000000, -0.0001485900000000 ] - [ 0.0002682700000000, 0.0002215200000000, -0.0001730300000000 ] - [ -0.0002806700000000, -0.0002670000000000, -0.0001762400000000 ] - [ -0.0002787100000000, -0.0002414900000000, -0.0001589800000000 ] - [ 0.0000752300000000, 0.0005620000000000, -0.0001221800000000 ] - [ 0.0001968300000000, -0.0002070800000000, 0.0001758100000000 ] - [ -0.0002088400000000, 0.0002012700000000, 0.0001900600000000 ] - [ -0.0001853700000000, 0.0002342600000000, 0.0001681000000000 ] - [ -0.0001899800000000, -0.0002123000000000, -0.0001834900000000 ] - [ -0.0001973600000000, -0.0002078800000000, -0.0001776700000000 ] - [ 0.0002158700000000, 0.0002004300000000, -0.0001944200000000 ] - [ 0.0012535100000000, -0.0001590700000000, 0.0001408200000000 ] - [ -0.0002143800000000, 0.0002004200000000, -0.0001931100000000 ] - [ -0.0006892700000000, -0.0013766000000000, -0.0021749700000000 ] - [ 0.0002130700000000, -0.0002003700000000, -0.0001860700000000 ] - [ 0.0001972600000000, -0.0002072700000000, -0.0001778400000000 ] - [ 0.0002084900000000, 0.0002015500000000, 0.0001902100000000 ] - [ 0.0002116600000000, 0.0001672300000000, 0.0002117200000000 ] - [ -0.0007713800000000, 0.0007711300000000, 0.0021536600000000 ] - [ -0.0001938600000000, -0.0002090500000000, 0.0001750900000000 ] - [ 0.0002679600000000, 0.0002170600000000, 0.0001739500000000 ] - [ 0.0002746500000000, 0.0002173900000000, 0.0001638500000000 ] - [ -0.0002827000000000, -0.0002473300000000, 0.0001548400000000 ] - [ -0.0002537800000000, -0.0002069200000000, 0.0001805100000000 ] - [ -0.0002768000000000, 0.0002405900000000, -0.0001557500000000 ] - [ -0.0002685400000000, 0.0002219300000000, -0.0001734700000000 ] - [ 0.0002081400000000, -0.0003674100000000, -0.0000632000000000 ] - [ 0.0002744400000000, -0.0002375000000000, -0.0001575200000000 ] - [ 0.0213683700000000, -0.0262819600000000, -0.0110499000000000 ] - [ -0.0000035100000000, -0.0000766000000000, 0.0000828800000000 ] - [ -0.0003355400000000, 0.0002129600000000, 0.0004229000000000 ] - [ -0.0000334200000000, 0.0001888700000000, 0.0001940800000000 ] - [ 0.0002528400000000, -0.0000145300000000, 0.0000362200000000 ] - [ 0.0000644800000000, -0.0001000100000000, 0.0000583600000000 ] - [ -0.0000119600000000, 0.0001528300000000, -0.0001988200000000 ] - [ 0.0007701500000000, -0.0020643700000000, -0.0000147900000000 ] - [ -0.0000089200000000, 0.0003491900000000, -0.0001064200000000 ] - [ 0.0017521100000000, -0.0022507400000000, 0.0013613200000000 ] - [ -0.0000145600000000, -0.0002100900000000, -0.0001435900000000 ] - [ -0.0000267300000000, -0.0001881300000000, -0.0001803900000000 ] - [ 0.0000328500000000, 0.0003141100000000, -0.0002344500000000 ] - [ -0.0000098600000000, 0.0003417300000000, 0.0001309700000000 ] - [ 0.0086203400000000, -0.0075615100000000, 0.0098076500000000 ] - [ 0.0000009100000000, -0.0001694400000000, 0.0001680500000000 ] - [ 0.0001133000000000, -0.0000255300000000, -0.0000331600000000 ] - [ -0.0000247000000000, 0.0000286900000000, -0.0000233900000000 ] - [ 0.0000010600000000, -0.0000054100000000, 0.0000108200000000 ] - [ -0.0001139900000000, 0.0000106200000000, -0.0000068900000000 ] - [ -0.0000552600000000, -0.0001506800000000, -0.0004416900000000 ] - [ 0.0000240300000000, -0.0000178900000000, -0.0001126600000000 ] - [ 0.0002282500000000, 0.0001218300000000, -0.0000016200000000 ] - [ 0.0001960300000000, -0.0000237300000000, -0.0000059900000000 ] - [ -0.0000340800000000, -0.0000680300000000, 0.0001471300000000 ] - [ -0.0000161100000000, -0.0001018200000000, 0.0001631700000000 ] - [ -0.0000008100000000, 0.0001435300000000, 0.0001367600000000 ] - [ -0.0000165300000000, 0.0000804800000000, 0.0000955900000000 ] - [ -0.0000765600000000, -0.0001800300000000, -0.0001228300000000 ] - [ 0.0000007300000000, -0.0000884700000000, -0.0001075400000000 ] - [ -0.0000838100000000, 0.0002475900000000, -0.0000755200000000 ] - [ 0.0000057000000000, 0.0001437300000000, -0.0001375600000000 ] - [ -0.0000950000000000, 0.0002192200000000, -0.0002032900000000 ] - [ -0.0000000600000000, 0.0002935600000000, -0.0001416100000000 ] - [ -0.0000631000000000, -0.0003191600000000, -0.0001880000000000 ] - [ 0.0000001200000000, -0.0002086300000000, -0.0001515300000000 ] - [ 0.0000019300000000, 0.0002970000000000, 0.0001443700000000 ] - [ -0.0000445300000000, 0.0002056800000000, 0.0001343300000000 ] - [ 0.0000121500000000, -0.0002496600000000, 0.0001380500000000 ] - [ -0.0000111800000000, -0.0002913600000000, 0.0001287000000000 ] - [ -0.0000271900000000, -0.0000570900000000, -0.0000440900000000 ] - [ 0.0000424800000000, 0.0000213300000000, 0.0000012100000000 ] - [ 0.0002657700000000, -0.0447078900000000, 0.0128987200000000 ] - [ -0.0000513100000000, 0.0000249400000000, 0.0000150300000000 ] - [ -0.0001155700000000, -0.0000076400000000, 0.0000104400000000 ] - [ -0.0000427900000000, 0.0000197900000000, -0.0000002000000000 ] - [ 0.0008606700000000, -0.0010794000000000, 0.0001632400000000 ] - [ 0.0000548700000000, 0.0000320600000000, 0.0000100100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000096200000000, -0.0000283900000000, 0.0000208900000000 ] - [ 0.0000422500000000, -0.0001420700000000, -0.0001247900000000 ] - [ -0.0000022700000000, 0.0000241400000000, 0.0000094300000000 ] - [ -0.0000489400000000, -0.0000403900000000, 0.0001647200000000 ] - [ -0.0015446000000000, 0.0006226300000000, 0.0021676900000000 ] - [ 0.0000002700000000, -0.0000529000000000, 0.0000226100000000 ] - [ 0.0016322700000000, 0.0021701100000000, 0.0023115600000000 ] - [ -0.0000001600000000, -0.0000151500000000, -0.0000399700000000 ] - [ 0.0002403100000000, 0.0000047300000000, 0.0000019900000000 ] - [ 0.0002397300000000, 0.0000002600000000, 0.0000011000000000 ] - [ -0.0001722500000000, -0.0000072500000000, -0.0000021400000000 ] - [ -0.0001867800000000, -0.0000234400000000, -0.0000055300000000 ] - [ -0.0002635300000000, 0.0000032100000000, -0.0000253000000000 ] - [ -0.0002369000000000, -0.0000031600000000, 0.0000026100000000 ] - [ 0.0006340700000000, 0.0000758200000000, 0.0000591400000000 ] - [ 0.0001252100000000, -0.0000697700000000, -0.0000247100000000 ] - [ -0.0122583900000000, 0.0138710600000000, -0.0529011300000000 ] - [ -0.0002712200000000, 0.0002249900000000, 0.0001718600000000 ] - [ 0.0002500300000000, -0.0002455000000000, 0.0001545600000000 ] - [ 0.0002851400000000, -0.0002421600000000, 0.0001629600000000 ] - [ 0.0002652700000000, 0.0002322800000000, -0.0001716600000000 ] - [ 0.0002933800000000, 0.0002419600000000, -0.0001712100000000 ] - [ -0.0002830700000000, -0.0002319100000000, -0.0001414500000000 ] - [ 0.0003556700000000, -0.0016168100000000, -0.0006935200000000 ] - [ 0.0002152500000000, -0.0001950500000000, 0.0001938400000000 ] - [ 0.0002014100000000, -0.0002075900000000, 0.0001829000000000 ] - [ -0.0001058600000000, -0.0009717200000000, 0.0010113500000000 ] - [ -0.0002069200000000, 0.0002034800000000, 0.0001905700000000 ] - [ -0.0002133200000000, -0.0001760800000000, -0.0001662300000000 ] - [ -0.0001845900000000, -0.0002069100000000, -0.0001724500000000 ] - [ 0.0002062600000000, 0.0002190300000000, -0.0001986300000000 ] - [ 0.0002039000000000, 0.0002056000000000, -0.0001860400000000 ] - [ -0.0001796700000000, 0.0002038500000000, -0.0001605900000000 ] - [ -0.0002075700000000, 0.0002029900000000, -0.0001885100000000 ] - [ 0.0001916800000000, -0.0001968700000000, -0.0001780700000000 ] - [ 0.0001906400000000, -0.0002005900000000, -0.0001757000000000 ] - [ 0.0002045800000000, 0.0002111900000000, 0.0001577100000000 ] - [ 0.0002090700000000, 0.0001983900000000, 0.0001901700000000 ] - [ -0.0001826200000000, -0.0002211300000000, 0.0001689600000000 ] - [ -0.0002041200000000, -0.0002066800000000, 0.0001834200000000 ] - [ 0.0003921700000000, 0.0005144800000000, -0.0012382200000000 ] - [ 0.0002695600000000, 0.0002258400000000, 0.0001700700000000 ] - [ -0.0002981100000000, -0.0002638400000000, 0.0002116900000000 ] - [ -0.0002824200000000, -0.0002435400000000, 0.0001615800000000 ] - [ -0.0002827300000000, 0.0002344200000000, -0.0001596100000000 ] - [ -0.0002760700000000, 0.0002288400000000, -0.0001593300000000 ] - [ 0.0002793900000000, -0.0002399100000000, -0.0001576500000000 ] - [ 0.0005469600000000, -0.0005723800000000, -0.0006959000000000 ] - [ -0.0000104200000000, 0.0000498300000000, 0.0000548200000000 ] - [ 0.0000002400000000, -0.0000484000000000, -0.0000178800000000 ] - [ 0.0000027800000000, 0.0000815500000000, -0.0000581000000000 ] - [ -0.0000001400000000, -0.0000071300000000, 0.0000335300000000 ] - [ -0.0000024500000000, -0.0000640700000000, 0.0000417800000000 ] - [ -0.0000001000000000, -0.0000073500000000, -0.0000196800000000 ] - [ -0.0000022400000000, -0.0000296300000000, -0.0000528100000000 ] - [ 0.0000030900000000, 0.0000353700000000, 0.0000049800000000 ] - [ 0.0001651000000000, 0.0000085800000000, -0.0000241700000000 ] - [ 0.0002019800000000, -0.0000055700000000, 0.0000013300000000 ] - [ -0.0013071100000000, -0.0004731100000000, -0.0003656500000000 ] - [ -0.0002274100000000, -0.0000144300000000, -0.0000016900000000 ] - [ -0.0001270000000000, -0.0000276200000000, 0.0001311100000000 ] - [ -0.0002020400000000, -0.0000053500000000, 0.0000019600000000 ] - [ 0.0003917000000000, -0.0000128900000000, -0.0001844700000000 ] - [ 0.0002239000000000, -0.0000101300000000, -0.0000019300000000 ] - [ -0.0002578300000000, 0.0002229200000000, 0.0001712200000000 ] - [ -0.0002741800000000, 0.0002350000000000, 0.0001714200000000 ] - [ 0.0002819200000000, -0.0002467600000000, 0.0001650400000000 ] - [ 0.0002741700000000, -0.0002293100000000, 0.0001705300000000 ] - [ 0.0002842300000000, 0.0002501900000000, -0.0001643000000000 ] - [ 0.0002700700000000, 0.0002264200000000, -0.0001684700000000 ] - [ -0.0002590300000000, -0.0002231400000000, -0.0001686700000000 ] - [ -0.0002787200000000, -0.0002409300000000, -0.0001603400000000 ] - [ 0.0022273000000000, -0.0018143900000000, 0.0005595700000000 ] - [ 0.0001968300000000, -0.0002098900000000, 0.0001793900000000 ] - [ -0.0002079500000000, 0.0002034800000000, 0.0001875200000000 ] - [ -0.0001891700000000, 0.0002029200000000, 0.0001956400000000 ] - [ -0.0002124900000000, -0.0002216400000000, -0.0001690100000000 ] - [ -0.0002001700000000, -0.0002066200000000, -0.0001802100000000 ] - [ 0.0002050000000000, 0.0002001300000000, -0.0001853700000000 ] - [ -0.0013494000000000, 0.0018309000000000, -0.0009396000000000 ] - [ -0.0002076400000000, 0.0002027000000000, -0.0001889800000000 ] - [ -0.0003648400000000, 0.0013094400000000, -0.0011548000000000 ] - [ 0.0002143200000000, -0.0002005000000000, -0.0001971900000000 ] - [ 0.0002004500000000, -0.0002063000000000, -0.0001804800000000 ] - [ 0.0002097800000000, 0.0002039200000000, 0.0001893600000000 ] - [ 0.0002097500000000, 0.0001968200000000, 0.0001877500000000 ] - [ -0.0004126900000000, -0.0013230400000000, 0.0017485900000000 ] - [ -0.0002001400000000, -0.0002057600000000, 0.0001804200000000 ] - [ 0.0003048300000000, 0.0002347600000000, 0.0001683700000000 ] - [ 0.0002700700000000, 0.0002258100000000, 0.0001686600000000 ] - [ -0.0002806200000000, -0.0002444800000000, 0.0001642800000000 ] - [ -0.0002680000000000, -0.0002188800000000, 0.0001659200000000 ] - [ -0.0002785000000000, 0.0002438800000000, -0.0001672000000000 ] - [ -0.0002695100000000, 0.0002262400000000, -0.0001686100000000 ] - [ 0.0002588100000000, -0.0003357700000000, -0.0000997900000000 ] - [ 0.0002741400000000, -0.0002421700000000, -0.0001577200000000 ] - [ -0.0120597500000000, 0.0124928100000000, 0.0102306300000000 ] - [ -0.0000014600000000, -0.0001005600000000, 0.0001119000000000 ] - [ 0.0002916700000000, 0.0001244200000000, 0.0000960300000000 ] - [ -0.0000019100000000, 0.0001515100000000, 0.0001488800000000 ] - [ -0.0000354500000000, -0.0002215000000000, -0.0001240700000000 ] - [ 0.0000143400000000, -0.0001288700000000, -0.0000727000000000 ] - [ 0.0000189500000000, 0.0001310900000000, -0.0001118600000000 ] - [ 0.0017978100000000, -0.0021076900000000, 0.0004214200000000 ] - [ 0.0000138200000000, 0.0002852400000000, -0.0001414000000000 ] - [ -0.0009558900000000, 0.0008350600000000, -0.0000175200000000 ] - [ 0.0000219200000000, -0.0002474500000000, -0.0001517600000000 ] - [ -0.0000568000000000, -0.0001767400000000, -0.0002034300000000 ] - [ -0.0000603400000000, 0.0005784400000000, 0.0000779700000000 ] - [ -0.0000032600000000, 0.0002928600000000, 0.0001389500000000 ] - [ 0.0220714100000000, -0.0120583000000000, 0.0268821700000000 ] - [ -0.0000020100000000, -0.0002210700000000, 0.0001540500000000 ] - [ 0.0000287700000000, -0.0000430400000000, 0.0000071300000000 ] - [ 0.0000295800000000, -0.0000146800000000, -0.0000132500000000 ] - [ -0.0000874500000000, -0.0000281600000000, -0.0000011200000000 ] - [ -0.0000727500000000, 0.0000020900000000, -0.0000006000000000 ] - [ -0.0000168300000000, -0.0000890500000000, 0.0000910600000000 ] - [ -0.0000250600000000, 0.0000141500000000, -0.0000268400000000 ] - [ -0.0004175300000000, -0.0000517300000000, -0.0000213300000000 ] - [ 0.0001149900000000, -0.0000017300000000, -0.0000140000000000 ] - [ 0.0000025000000000, -0.0001160000000000, 0.0000852300000000 ] - [ 0.0000042500000000, -0.0001058000000000, 0.0001461600000000 ] - [ -0.0000021200000000, 0.0001319000000000, 0.0001606900000000 ] - [ -0.0000286800000000, 0.0001185700000000, 0.0001117300000000 ] - [ 0.0000002500000000, -0.0001256400000000, -0.0001743900000000 ] - [ -0.0000011600000000, -0.0000987500000000, -0.0001107000000000 ] - [ -0.0000580300000000, 0.0001818800000000, -0.0000344700000000 ] - [ 0.0000014900000000, 0.0001301200000000, -0.0001398400000000 ] - [ -0.0000428800000000, 0.0002438500000000, -0.0002351200000000 ] - [ 0.0000007300000000, 0.0002779300000000, -0.0001390600000000 ] - [ -0.0000313900000000, -0.0003266700000000, -0.0001482300000000 ] - [ -0.0000005800000000, -0.0002250500000000, -0.0001507500000000 ] - [ -0.0000033600000000, 0.0002884300000000, 0.0001372400000000 ] - [ -0.0000050700000000, 0.0002359500000000, 0.0001377800000000 ] - [ 0.0000034400000000, -0.0002170600000000, 0.0001662900000000 ] - [ 0.0000081400000000, -0.0002641600000000, 0.0001340700000000 ] - [ 0.0000888600000000, -0.0000110100000000, 0.0000122200000000 ] - [ 0.0000611400000000, 0.0000127400000000, -0.0000072200000000 ] - [ 0.0004140400000000, -0.0122645100000000, 0.0120708000000000 ] - [ -0.0000423000000000, 0.0000294700000000, -0.0000136900000000 ] - [ -0.0001227100000000, -0.0000064300000000, 0.0000107300000000 ] - [ -0.0000601700000000, 0.0000108600000000, -0.0000051800000000 ] - [ 0.0002967300000000, -0.0001398300000000, 0.0007256700000000 ] - [ 0.0000374600000000, 0.0000084200000000, -0.0000013400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000098700000000, -0.0000119200000000, -0.0000047900000000 ] - [ -0.0000418700000000, 0.0001049200000000, 0.0001428100000000 ] - [ 0.0000023200000000, 0.0000171300000000, 0.0000065900000000 ] - [ 0.0000477300000000, 0.0000854800000000, -0.0001524900000000 ] - [ 0.0015827200000000, -0.0006821500000000, -0.0022297900000000 ] - [ 0.0000000200000000, 0.0000122200000000, -0.0000396400000000 ] - [ -0.0016012600000000, -0.0021126200000000, -0.0023244100000000 ] - [ 0.0000004500000000, 0.0000567900000000, 0.0000244000000000 ] - [ 0.0001876400000000, -0.0000044400000000, -0.0000026900000000 ] - [ 0.0001890200000000, -0.0000004800000000, -0.0000017300000000 ] - [ -0.0002589900000000, 0.0000070500000000, 0.0000023100000000 ] - [ -0.0002436500000000, 0.0000235700000000, 0.0000057100000000 ] - [ -0.0001646100000000, -0.0000027000000000, 0.0000251300000000 ] - [ -0.0001918800000000, 0.0000031600000000, -0.0000024800000000 ] - [ -0.0002143300000000, -0.0000678600000000, -0.0000581700000000 ] - [ 0.0003057400000000, 0.0000703200000000, 0.0000242100000000 ] - [ 0.0105884600000000, -0.0127044900000000, 0.0525469900000000 ] - [ -0.0002800600000000, 0.0002448200000000, 0.0001568700000000 ] - [ 0.0003019200000000, -0.0002244800000000, 0.0001738700000000 ] - [ 0.0002653900000000, -0.0002270600000000, 0.0001668200000000 ] - [ 0.0002861000000000, 0.0002363500000000, -0.0001585700000000 ] - [ 0.0002577900000000, 0.0002280400000000, -0.0001580400000000 ] - [ -0.0002677700000000, -0.0002377100000000, -0.0001888500000000 ] - [ -0.0009096200000000, 0.0011383200000000, 0.0003595700000000 ] - [ 0.0001917000000000, -0.0002149000000000, 0.0001748900000000 ] - [ 0.0002059900000000, -0.0002016900000000, 0.0001853600000000 ] - [ -0.0002959100000000, 0.0014082000000000, -0.0006685500000000 ] - [ -0.0002005700000000, 0.0002059000000000, 0.0001774800000000 ] - [ -0.0001931200000000, -0.0002331700000000, -0.0002048800000000 ] - [ -0.0002230100000000, -0.0002025500000000, -0.0001964200000000 ] - [ 0.0002004300000000, 0.0001908300000000, -0.0001690100000000 ] - [ 0.0002034900000000, 0.0002035900000000, -0.0001824400000000 ] - [ -0.0002280900000000, 0.0002060200000000, -0.0002085900000000 ] - [ -0.0001996800000000, 0.0002063300000000, -0.0001798200000000 ] - [ 0.0002162600000000, -0.0002124000000000, -0.0001905300000000 ] - [ 0.0002168800000000, -0.0002089200000000, -0.0001929500000000 ] - [ 0.0002019500000000, 0.0001982000000000, 0.0002092400000000 ] - [ 0.0001984500000000, 0.0002110300000000, 0.0001778600000000 ] - [ -0.0002250400000000, -0.0001881500000000, 0.0001995200000000 ] - [ -0.0002030500000000, -0.0002027300000000, 0.0001845700000000 ] - [ 0.0001430600000000, -0.0000437300000000, 0.0015615100000000 ] - [ 0.0002817600000000, 0.0002436200000000, 0.0001594900000000 ] - [ -0.0002540000000000, -0.0002078300000000, 0.0001173600000000 ] - [ -0.0002681600000000, -0.0002256000000000, 0.0001675100000000 ] - [ -0.0002674800000000, 0.0002347800000000, -0.0001709600000000 ] - [ -0.0002748200000000, 0.0002408300000000, -0.0001706300000000 ] - [ 0.0002715800000000, -0.0002289100000000, -0.0001717800000000 ] - [ 0.0000087400000000, 0.0001021800000000, 0.0003646600000000 ] - [ 0.0000102400000000, -0.0000926100000000, -0.0000396800000000 ] - [ -0.0000005000000000, 0.0000085100000000, 0.0000348800000000 ] - [ -0.0000029900000000, -0.0000406900000000, 0.0000745100000000 ] - [ -0.0000000700000000, 0.0000487200000000, -0.0000178900000000 ] - [ 0.0000025600000000, 0.0000239800000000, -0.0000587200000000 ] - [ 0.0000002600000000, -0.0000345200000000, 0.0000035300000000 ] - [ 0.0000023700000000, 0.0000721300000000, 0.0000368000000000 ] - [ -0.0000027300000000, 0.0000045900000000, -0.0000221800000000 ] - [ 0.0002661700000000, -0.0000089200000000, 0.0000225500000000 ] - [ 0.0002286000000000, 0.0000056400000000, -0.0000019900000000 ] - [ 0.0008833700000000, 0.0004777500000000, 0.0003582700000000 ] - [ -0.0002018700000000, 0.0000146300000000, 0.0000018900000000 ] - [ -0.0003037200000000, 0.0000276400000000, -0.0001305200000000 ] - [ -0.0002279300000000, 0.0000053600000000, -0.0000017300000000 ] - [ 0.0000347400000000, 0.0000122600000000, 0.0001835400000000 ] - [ 0.0002054000000000, 0.0000102100000000, 0.0000012900000000 ] - [ -0.0002931600000000, 0.0002466300000000, 0.0001573000000000 ] - [ -0.0002767200000000, 0.0002346100000000, 0.0001574400000000 ] - [ 0.0002687600000000, -0.0002230200000000, 0.0001647400000000 ] - [ 0.0002766200000000, -0.0002406300000000, 0.0001590000000000 ] - [ 0.0002663500000000, 0.0002180100000000, -0.0001648200000000 ] - [ 0.0002810800000000, 0.0002435400000000, -0.0001607800000000 ] - [ -0.0002920700000000, -0.0002467300000000, -0.0001606700000000 ] - [ -0.0002719000000000, -0.0002286400000000, -0.0001699200000000 ] - [ -0.0017817500000000, 0.0013845100000000, -0.0001754800000000 ] - [ 0.0002108400000000, -0.0001997100000000, 0.0001885000000000 ] - [ -0.0001989300000000, 0.0002056600000000, 0.0001800500000000 ] - [ -0.0002181400000000, 0.0002061600000000, 0.0001725300000000 ] - [ -0.0001950900000000, -0.0001878500000000, -0.0001993900000000 ] - [ -0.0002072200000000, -0.0002028500000000, -0.0001882600000000 ] - [ 0.0002026500000000, 0.0002093200000000, -0.0001830800000000 ] - [ 0.0017497300000000, -0.0014084300000000, 0.0005759300000000 ] - [ -0.0002000200000000, 0.0002068200000000, -0.0001796800000000 ] - [ -0.0000316400000000, -0.0009064500000000, 0.0007888900000000 ] - [ 0.0001929300000000, -0.0002087700000000, -0.0001718700000000 ] - [ 0.0002072000000000, -0.0002027400000000, -0.0001886700000000 ] - [ 0.0001973600000000, 0.0002051900000000, 0.0001787800000000 ] - [ 0.0001974500000000, 0.0002131600000000, 0.0001798900000000 ] - [ 0.0000171500000000, 0.0008778500000000, -0.0013378700000000 ] - [ -0.0002074500000000, -0.0002036300000000, 0.0001878700000000 ] - [ 0.0002452600000000, 0.0002348600000000, 0.0001605200000000 ] - [ 0.0002809200000000, 0.0002443600000000, 0.0001608100000000 ] - [ -0.0002698500000000, -0.0002244200000000, 0.0001650600000000 ] - [ -0.0002827800000000, -0.0002506400000000, 0.0001629500000000 ] - [ -0.0002722100000000, 0.0002256500000000, -0.0001624300000000 ] - [ -0.0002812900000000, 0.0002433600000000, -0.0001614600000000 ] - [ 0.0002919900000000, -0.0001325000000000, -0.0002299200000000 ] - [ 0.0002766700000000, -0.0002274600000000, -0.0001717700000000 ] - [ 0.0121636300000000, -0.0128626600000000, -0.0099926700000000 ] - [ 0.0000011000000000, -0.0001318700000000, 0.0001419900000000 ] - [ -0.0002967500000000, 0.0001149900000000, 0.0001672200000000 ] - [ 0.0000000800000000, 0.0000782200000000, 0.0001021300000000 ] - [ 0.0000310700000000, -0.0000115600000000, -0.0001307600000000 ] - [ -0.0000158700000000, -0.0001010100000000, -0.0001821700000000 ] - [ -0.0000188200000000, 0.0000996800000000, -0.0001420900000000 ] - [ -0.0017624400000000, 0.0023234600000000, -0.0006819400000000 ] - [ -0.0000143100000000, 0.0002223700000000, -0.0001516300000000 ] - [ 0.0009674700000000, -0.0003259800000000, -0.0002829100000000 ] - [ -0.0000211200000000, -0.0002633700000000, -0.0001408800000000 ] - [ 0.0000548400000000, -0.0003348400000000, -0.0000882000000000 ] - [ 0.0000625800000000, -0.0000692800000000, 0.0002175200000000 ] - [ 0.0000025400000000, 0.0002185700000000, 0.0001518400000000 ] - [ -0.0212278700000000, 0.0111226600000000, -0.0258583400000000 ] - [ 0.0000025600000000, -0.0002892700000000, 0.0001381100000000 ] - [ 0.0000741200000000, 0.0000428200000000, -0.0000078600000000 ] - [ 0.0000695100000000, 0.0000148400000000, 0.0000131300000000 ] - [ -0.0000109100000000, 0.0000282900000000, 0.0000011500000000 ] - [ -0.0000236100000000, -0.0000021000000000, 0.0000002400000000 ] - [ -0.0000839800000000, 0.0000904400000000, -0.0000831600000000 ] - [ -0.0000769900000000, -0.0000131000000000, 0.0000273500000000 ] - [ 0.0005278300000000, 0.0000519100000000, 0.0000217400000000 ] - [ -0.0000153200000000, 0.0000020300000000, 0.0000131900000000 ] - [ -0.0000022700000000, -0.0001160300000000, 0.0001674100000000 ] - [ -0.0000031300000000, -0.0001252800000000, 0.0001071000000000 ] - [ 0.0000013700000000, 0.0000980200000000, 0.0000938900000000 ] - [ 0.0000293600000000, 0.0001118500000000, 0.0001419000000000 ] - [ 0.0000024600000000, -0.0001038700000000, -0.0000772700000000 ] - [ 0.0000011600000000, -0.0001330800000000, -0.0001439000000000 ] - [ 0.0000592100000000, 0.0000470300000000, -0.0002195900000000 ] - [ 0.0000002700000000, 0.0001010800000000, -0.0001147600000000 ] - [ 0.0000433800000000, 0.0002698700000000, -0.0000563100000000 ] - [ 0.0000001800000000, 0.0002293800000000, -0.0001555200000000 ] - [ 0.0000326800000000, -0.0001807900000000, -0.0001431700000000 ] - [ -0.0000001300000000, -0.0002841300000000, -0.0001418400000000 ] - [ 0.0000034700000000, 0.0002178300000000, 0.0001564500000000 ] - [ 0.0000072500000000, 0.0002729400000000, 0.0001548800000000 ] - [ -0.0000035800000000, -0.0002993000000000, 0.0001229400000000 ] - [ -0.0000063600000000, -0.0002427700000000, 0.0001597000000000 ] - [ 0.0000105900000000, 0.0000118400000000, -0.0000114200000000 ] - [ 0.0000369600000000, -0.0000133300000000, 0.0000076400000000 ] - [ -0.0005233800000000, 0.0121670000000000, -0.0120476900000000 ] - [ -0.0000578900000000, -0.0000304300000000, 0.0000136500000000 ] - [ 0.0000252600000000, 0.0000068800000000, -0.0000111100000000 ] - [ -0.0000380300000000, -0.0000117000000000, 0.0000059400000000 ] - [ -0.0001851400000000, 0.0001375400000000, -0.0007280300000000 ] - [ 0.0000616000000000, -0.0000089100000000, 0.0000008400000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000016400000000, -0.0000318100000000, 0.0000137200000000 ] - [ -0.0000009400000000, -0.0000004000000000, 0.0000301000000000 ] - [ 0.0000028800000000, 0.0000141400000000, 0.0000105700000000 ] - [ -0.0000003400000000, 0.0000441800000000, -0.0000085500000000 ] - [ 0.0000022600000000, -0.0000519100000000, 0.0000159500000000 ] - [ 0.0000002900000000, -0.0000080000000000, -0.0000184700000000 ] - [ 0.0000066400000000, -0.0000067600000000, -0.0000570100000000 ] - [ -0.0000002900000000, 0.0000354100000000, 0.0000021400000000 ] - [ 0.0002442300000000, -0.0000146100000000, 0.0000301000000000 ] - [ 0.0002151700000000, 0.0000109700000000, -0.0000022900000000 ] - [ 0.0001549100000000, -0.0000803600000000, -0.0002130100000000 ] - [ -0.0002233300000000, 0.0000056800000000, 0.0000013900000000 ] - [ 0.0003051800000000, -0.0000451300000000, 0.0005322300000000 ] - [ -0.0002135300000000, 0.0000122400000000, -0.0000023800000000 ] - [ 0.0024909200000000, -0.0012364100000000, -0.0033866600000000 ] - [ 0.0002214700000000, 0.0000057100000000, 0.0000010700000000 ] - [ -0.0002610600000000, 0.0002505800000000, 0.0001766300000000 ] - [ -0.0002685100000000, 0.0002380600000000, 0.0001621600000000 ] - [ 0.0002977400000000, -0.0002554700000000, 0.0001498300000000 ] - [ 0.0002703100000000, -0.0002305900000000, 0.0001696600000000 ] - [ 0.0002841400000000, 0.0002505500000000, -0.0001725600000000 ] - [ 0.0002776200000000, 0.0002425800000000, -0.0001609900000000 ] - [ -0.0003049500000000, -0.0002248800000000, -0.0001675900000000 ] - [ -0.0002664400000000, -0.0002371300000000, -0.0001647900000000 ] - [ -0.0701715900000000, -0.0112774000000000, -0.0307995400000000 ] - [ 0.0002040000000000, -0.0002023200000000, 0.0001889600000000 ] - [ -0.0001606700000000, 0.0002223000000000, 0.0002019900000000 ] - [ -0.0001992600000000, 0.0002053800000000, 0.0001829800000000 ] - [ 0.0000400800000000, -0.0001578200000000, -0.0002343600000000 ] - [ -0.0002044200000000, -0.0002029000000000, -0.0001888400000000 ] - [ -0.0009765800000000, -0.0004137400000000, -0.0017996300000000 ] - [ 0.0001955400000000, 0.0002065400000000, -0.0001804900000000 ] - [ -0.0002585900000000, 0.0004741700000000, 0.0005475600000000 ] - [ -0.0001980600000000, 0.0002059800000000, -0.0001821000000000 ] - [ 0.0002235900000000, -0.0001909500000000, -0.0001737600000000 ] - [ 0.0002054600000000, -0.0002030700000000, -0.0001888200000000 ] - [ 0.0002075000000000, 0.0001842400000000, 0.0001941000000000 ] - [ 0.0002007300000000, 0.0002057300000000, 0.0001834200000000 ] - [ 0.0017760400000000, -0.0003254400000000, -0.0001680000000000 ] - [ -0.0002064200000000, -0.0002022000000000, 0.0001897600000000 ] - [ 0.0002735800000000, 0.0002352600000000, 0.0001435800000000 ] - [ 0.0002836400000000, 0.0002365300000000, 0.0001651100000000 ] - [ -0.0002664100000000, -0.0002274500000000, 0.0001704000000000 ] - [ -0.0002691000000000, -0.0002314800000000, 0.0001707800000000 ] - [ -0.0002567100000000, 0.0002267400000000, -0.0001759000000000 ] - [ -0.0002764700000000, 0.0002436700000000, -0.0001610700000000 ] - [ 0.0002820000000000, -0.0002365500000000, -0.0001397200000000 ] - [ 0.0002819900000000, -0.0002354000000000, -0.0001683900000000 ] - [ -0.0000424900000000, 0.0002491800000000, 0.0002175900000000 ] - [ 0.0000008800000000, 0.0000174700000000, 0.0000500800000000 ] - [ 0.0003151900000000, 0.0014543000000000, -0.0014533600000000 ] - [ -0.0000006200000000, 0.0000686900000000, -0.0000362900000000 ] - [ -0.0000888100000000, -0.0002788500000000, 0.0003645300000000 ] - [ -0.0000000900000000, 0.0000101600000000, -0.0000429200000000 ] - [ 0.0001590800000000, -0.0011213800000000, -0.0000564300000000 ] - [ -0.0000006200000000, 0.0000546300000000, 0.0000194600000000 ] - [ 0.0001886500000000, -0.0000076000000000, 0.0000016800000000 ] - [ 0.0002675500000000, 0.0000363300000000, 0.0000136100000000 ] - [ -0.0002267100000000, -0.0000006300000000, -0.0000014300000000 ] - [ -0.0001607900000000, 0.0000255900000000, -0.0000215300000000 ] - [ -0.0001922200000000, 0.0000016400000000, -0.0000020400000000 ] - [ -0.0002608400000000, 0.0000063900000000, 0.0000024100000000 ] - [ 0.0003753900000000, 0.0001414600000000, 0.0000318300000000 ] - [ 0.0002571900000000, -0.0000404900000000, -0.0000223800000000 ] - [ 0.0002117200000000, 0.0003613100000000, 0.0021476500000000 ] - [ -0.0002820000000000, 0.0002428700000000, 0.0001579000000000 ] - [ -0.0002297600000000, 0.0000533700000000, 0.0000666100000000 ] - [ 0.0002547800000000, -0.0002284500000000, 0.0001676400000000 ] - [ 0.0002471500000000, 0.0001960800000000, -0.0001747500000000 ] - [ 0.0002475600000000, 0.0002805500000000, -0.0001449400000000 ] - [ 0.0002019900000000, 0.0007839000000000, 0.0013697500000000 ] - [ -0.0002679700000000, -0.0002239500000000, -0.0001660100000000 ] - [ 0.0002094700000000, -0.0002017700000000, 0.0001961000000000 ] - [ 0.0002098600000000, -0.0002010600000000, 0.0001888200000000 ] - [ -0.0002753900000000, 0.0002143700000000, 0.0002422500000000 ] - [ -0.0001983700000000, 0.0002025200000000, 0.0001780200000000 ] - [ -0.0002187500000000, -0.0002129200000000, -0.0001953200000000 ] - [ -0.0002190500000000, -0.0001785400000000, -0.0001713800000000 ] - [ 0.0002122900000000, 0.0002077700000000, -0.0002055800000000 ] - [ 0.0002120500000000, 0.0001953600000000, -0.0001862700000000 ] - [ -0.0001977300000000, 0.0002053900000000, -0.0001852800000000 ] - [ -0.0001944200000000, 0.0002076000000000, -0.0001811200000000 ] - [ 0.0001779600000000, -0.0001916200000000, -0.0001775100000000 ] - [ 0.0001777600000000, -0.0002483000000000, -0.0001908400000000 ] - [ 0.0001974700000000, 0.0002079500000000, 0.0001726000000000 ] - [ 0.0001951100000000, 0.0002102400000000, 0.0001893100000000 ] - [ -0.0001942900000000, -0.0002011500000000, 0.0001782000000000 ] - [ -0.0001942500000000, -0.0002173200000000, 0.0001788600000000 ] - [ -0.0015605000000000, -0.0003304800000000, 0.0003839000000000 ] - [ 0.0002800100000000, 0.0002468500000000, 0.0001613200000000 ] - [ -0.0002295400000000, -0.0002035200000000, 0.0001653200000000 ] - [ -0.0002700700000000, -0.0002293500000000, 0.0001698900000000 ] - [ -0.0002920100000000, 0.0002499500000000, -0.0001528200000000 ] - [ -0.0002872600000000, 0.0002622200000000, -0.0001511700000000 ] - [ -0.0015448400000000, 0.0002514500000000, -0.0003302500000000 ] - [ 0.0002659500000000, -0.0002259200000000, -0.0001682000000000 ] - [ -0.0000457300000000, -0.0001216500000000, 0.0001080900000000 ] - [ -0.0000075600000000, -0.0001115200000000, 0.0001294000000000 ] - [ 0.0000236800000000, 0.0000955600000000, 0.0001525100000000 ] - [ -0.0000045500000000, 0.0001023600000000, 0.0001223800000000 ] - [ -0.0000355300000000, -0.0001222800000000, -0.0001224500000000 ] - [ -0.0000023500000000, -0.0001261100000000, -0.0001360300000000 ] - [ -0.0000466600000000, 0.0001170800000000, -0.0001256000000000 ] - [ -0.0000073000000000, 0.0001059800000000, -0.0001180900000000 ] - [ -0.0000366500000000, 0.0002625700000000, -0.0001260800000000 ] - [ 0.0000008200000000, 0.0002328700000000, -0.0001503600000000 ] - [ 0.0000069600000000, -0.0002130200000000, -0.0001274300000000 ] - [ -0.0000021700000000, -0.0002729900000000, -0.0001447400000000 ] - [ -0.0000688500000000, 0.0002983700000000, 0.0001351700000000 ] - [ -0.0000025900000000, 0.0002374600000000, 0.0001447500000000 ] - [ -0.0000350600000000, -0.0002400000000000, 0.0001522200000000 ] - [ -0.0000006300000000, -0.0002724000000000, 0.0001514200000000 ] - [ 0.0000238600000000, 0.0000067600000000, -0.0000053500000000 ] - [ 0.0000506500000000, -0.0000081200000000, 0.0000000600000000 ] - [ 0.0011815200000000, 0.0011657600000000, 0.0032089600000000 ] - [ -0.0000445900000000, -0.0000162200000000, -0.0000042800000000 ] - [ -0.0003098700000000, -0.0000564100000000, 0.0001790100000000 ] - [ -0.0000553900000000, -0.0000094000000000, -0.0000007600000000 ] - [ 0.0038883600000000, -0.0000112300000000, -0.0012973300000000 ] - [ 0.0000468500000000, -0.0000156500000000, -0.0000062300000000 ] - [ 0.0010035400000000, 0.0000363600000000, 0.0006740300000000 ] - [ 0.0000065700000000, -0.0001331300000000, 0.0001416000000000 ] - [ 0.0000518800000000, -0.0001319800000000, 0.0002865000000000 ] - [ 0.0000376500000000, 0.0001078300000000, 0.0000883200000000 ] - [ -0.0000348400000000, -0.0001074400000000, -0.0002623400000000 ] - [ 0.0000294100000000, -0.0000694000000000, -0.0001173800000000 ] - [ 0.0304682900000000, 0.0200557200000000, 0.0094075100000000 ] - [ 0.0000051100000000, 0.0000968100000000, -0.0000944300000000 ] - [ 0.0010015500000000, 0.0005045800000000, 0.0004112700000000 ] - [ 0.0000029500000000, 0.0002195000000000, -0.0001560100000000 ] - [ 0.0001254500000000, -0.0001818800000000, -0.0001050200000000 ] - [ 0.0000001300000000, -0.0002607400000000, -0.0001516700000000 ] - [ 0.0003083300000000, 0.0003920400000000, -0.0000262100000000 ] - [ 0.0000071600000000, 0.0001983000000000, 0.0001716300000000 ] - [ 0.0315502700000000, -0.0104159600000000, 0.0202416100000000 ] - [ 0.0000032800000000, -0.0002893300000000, 0.0001410100000000 ] - [ 0.0000729600000000, 0.0000458300000000, -0.0000088700000000 ] - [ -0.0000164400000000, -0.0003966800000000, -0.0000484700000000 ] - [ -0.0000283400000000, 0.0000232800000000, -0.0000151800000000 ] - [ -0.0001077400000000, -0.0000272900000000, 0.0000120800000000 ] - [ -0.0000778000000000, -0.0000194200000000, 0.0000465500000000 ] - [ -0.0000573800000000, -0.0000239100000000, -0.0000702500000000 ] - [ -0.0000827300000000, 0.0000045400000000, 0.0000117100000000 ] - [ 0.0000119300000000, 0.0000158300000000, -0.0000140100000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000013300000000, -0.0000096800000000, 0.0000047800000000 ] - [ 0.0000009700000000, -0.0000416600000000, -0.0000120500000000 ] - [ -0.0000023100000000, 0.0000293100000000, 0.0000061600000000 ] - [ 0.0000003000000000, -0.0000013300000000, 0.0000260900000000 ] - [ -0.0000018100000000, 0.0000074500000000, -0.0000320700000000 ] - [ 0.0000002200000000, -0.0000338400000000, 0.0000001500000000 ] - [ -0.0000060900000000, 0.0000473500000000, 0.0000373600000000 ] - [ 0.0000007900000000, 0.0000072100000000, -0.0000192900000000 ] - [ 0.0001952800000000, 0.0000148300000000, -0.0000315700000000 ] - [ 0.0002187600000000, -0.0000109500000000, 0.0000018700000000 ] - [ -0.0005813600000000, 0.0000813100000000, 0.0002155500000000 ] - [ -0.0002091900000000, -0.0000057500000000, -0.0000009200000000 ] - [ -0.0007261900000000, 0.0000434100000000, -0.0005171900000000 ] - [ -0.0002205600000000, -0.0000118600000000, 0.0000027900000000 ] - [ -0.0020216300000000, 0.0012089600000000, 0.0033111900000000 ] - [ 0.0002118100000000, -0.0000055100000000, -0.0000014500000000 ] - [ -0.0002883600000000, 0.0002201000000000, 0.0001529800000000 ] - [ -0.0002813200000000, 0.0002327600000000, 0.0001668000000000 ] - [ 0.0002543700000000, -0.0002165400000000, 0.0001793800000000 ] - [ 0.0002795700000000, -0.0002397600000000, 0.0001604300000000 ] - [ 0.0002673600000000, 0.0002206600000000, -0.0001555400000000 ] - [ 0.0002729000000000, 0.0002279200000000, -0.0001680300000000 ] - [ -0.0002456300000000, -0.0002444500000000, -0.0001621000000000 ] - [ -0.0002834100000000, -0.0002339000000000, -0.0001645900000000 ] - [ 0.0723108100000000, 0.0112884600000000, 0.0323399000000000 ] - [ 0.0002026300000000, -0.0002066800000000, 0.0001810700000000 ] - [ -0.0002443500000000, 0.0001877500000000, 0.0001686800000000 ] - [ -0.0002068600000000, 0.0002033400000000, 0.0001868500000000 ] - [ -0.0004365700000000, -0.0002530700000000, -0.0001277300000000 ] - [ -0.0002018700000000, -0.0002061900000000, -0.0001812100000000 ] - [ 0.0013883800000000, 0.0008361500000000, 0.0014650500000000 ] - [ 0.0002111900000000, 0.0002023000000000, -0.0001893800000000 ] - [ -0.0001466000000000, -0.0000655400000000, -0.0009205400000000 ] - [ -0.0002086600000000, 0.0002032000000000, -0.0001872100000000 ] - [ 0.0001837500000000, -0.0002174600000000, -0.0001959900000000 ] - [ 0.0002013500000000, -0.0002064200000000, -0.0001804900000000 ] - [ 0.0002008900000000, 0.0002248500000000, 0.0001765200000000 ] - [ 0.0002061900000000, 0.0002032700000000, 0.0001857900000000 ] - [ -0.0022550400000000, -0.0000839300000000, 0.0005340300000000 ] - [ -0.0002000200000000, -0.0002071100000000, 0.0001795000000000 ] - [ 0.0002770900000000, 0.0002353600000000, 0.0001859600000000 ] - [ 0.0002676200000000, 0.0002345200000000, 0.0001643300000000 ] - [ -0.0002832000000000, -0.0002418500000000, 0.0001584500000000 ] - [ -0.0002799600000000, -0.0002392800000000, 0.0001584900000000 ] - [ -0.0002923600000000, 0.0002435100000000, -0.0001544600000000 ] - [ -0.0002733900000000, 0.0002278800000000, -0.0001682500000000 ] - [ 0.0002687900000000, -0.0002336200000000, -0.0001886200000000 ] - [ 0.0002688300000000, -0.0002352300000000, -0.0001605500000000 ] - [ 0.0000422900000000, -0.0002891100000000, -0.0001974900000000 ] - [ -0.0000009900000000, -0.0000591300000000, -0.0000314800000000 ] - [ -0.0003044900000000, -0.0014007700000000, 0.0014663400000000 ] - [ 0.0000005400000000, -0.0000253300000000, 0.0000534400000000 ] - [ 0.0000893100000000, 0.0002330400000000, -0.0003772200000000 ] - [ 0.0000004900000000, -0.0000519500000000, 0.0000241900000000 ] - [ -0.0001430200000000, 0.0011531500000000, 0.0000369300000000 ] - [ 0.0000011000000000, -0.0000115700000000, -0.0000360700000000 ] - [ 0.0002428900000000, 0.0000070300000000, -0.0000018800000000 ] - [ 0.0001648000000000, -0.0000354500000000, -0.0000136200000000 ] - [ -0.0002080600000000, 0.0000006000000000, 0.0000018400000000 ] - [ -0.0002723300000000, -0.0000250500000000, 0.0000213100000000 ] - [ -0.0002389100000000, -0.0000016600000000, 0.0000025600000000 ] - [ -0.0001716300000000, -0.0000063200000000, -0.0000019700000000 ] - [ 0.0000594800000000, -0.0001413600000000, -0.0000322200000000 ] - [ 0.0001789400000000, 0.0000399000000000, 0.0000220600000000 ] - [ -0.0007872300000000, 0.0001169600000000, -0.0018610400000000 ] - [ -0.0002680900000000, 0.0002274800000000, 0.0001716300000000 ] - [ 0.0007750400000000, -0.0005238600000000, 0.0002571600000000 ] - [ 0.0002948700000000, -0.0002420000000000, 0.0001618100000000 ] - [ 0.0003033300000000, 0.0002764400000000, -0.0001548600000000 ] - [ 0.0003020100000000, 0.0001912700000000, -0.0001837400000000 ] - [ -0.0007792000000000, -0.0012868700000000, -0.0017293300000000 ] - [ -0.0002820800000000, -0.0002465500000000, -0.0001638600000000 ] - [ 0.0001974800000000, -0.0002075100000000, 0.0001729900000000 ] - [ 0.0001974900000000, -0.0002080600000000, 0.0001806400000000 ] - [ -0.0001320800000000, 0.0001948300000000, 0.0001281500000000 ] - [ -0.0002079300000000, 0.0002070800000000, 0.0001907800000000 ] - [ -0.0001880100000000, -0.0001960700000000, -0.0001743600000000 ] - [ -0.0001879300000000, -0.0002306100000000, -0.0001990600000000 ] - [ 0.0001955500000000, 0.0002016400000000, -0.0001643300000000 ] - [ 0.0001955500000000, 0.0002135900000000, -0.0001832400000000 ] - [ -0.0002087800000000, 0.0002041800000000, -0.0001839200000000 ] - [ -0.0002122000000000, 0.0002016200000000, -0.0001885300000000 ] - [ 0.0002283200000000, -0.0002173000000000, -0.0001919700000000 ] - [ 0.0002285800000000, -0.0001617400000000, -0.0001786900000000 ] - [ 0.0002090300000000, 0.0002016300000000, 0.0001967400000000 ] - [ 0.0002115100000000, 0.0001992200000000, 0.0001804000000000 ] - [ -0.0002116700000000, -0.0002078500000000, 0.0001907300000000 ] - [ -0.0002117600000000, -0.0001924100000000, 0.0001900400000000 ] - [ 0.0021218300000000, 0.0007945900000000, -0.0000459600000000 ] - [ 0.0002698900000000, 0.0002246000000000, 0.0001683800000000 ] - [ -0.0003214600000000, -0.0002684600000000, 0.0001634200000000 ] - [ -0.0002793000000000, -0.0002401600000000, 0.0001594200000000 ] - [ -0.0002584600000000, 0.0002216500000000, -0.0001774100000000 ] - [ -0.0002632000000000, 0.0002090400000000, -0.0001781700000000 ] - [ 0.0021064800000000, -0.0007105000000000, 0.0000034200000000 ] - [ 0.0002839400000000, -0.0002448200000000, -0.0001609300000000 ] - [ 0.0000438800000000, -0.0001086800000000, 0.0001440800000000 ] - [ 0.0000070500000000, -0.0001200900000000, 0.0001244500000000 ] - [ -0.0000263500000000, 0.0001384300000000, 0.0001004400000000 ] - [ 0.0000036500000000, 0.0001279900000000, 0.0001300300000000 ] - [ 0.0000355100000000, -0.0001081900000000, -0.0001313000000000 ] - [ 0.0000024400000000, -0.0001035400000000, -0.0001173600000000 ] - [ 0.0000453300000000, 0.0001132900000000, -0.0001275100000000 ] - [ 0.0000071200000000, 0.0001262600000000, -0.0001356500000000 ] - [ 0.0000343000000000, 0.0002467800000000, -0.0001645700000000 ] - [ -0.0000016700000000, 0.0002777100000000, -0.0001418400000000 ] - [ -0.0000093500000000, -0.0002992600000000, -0.0001677600000000 ] - [ 0.0000015500000000, -0.0002352500000000, -0.0001483800000000 ] - [ 0.0000678900000000, 0.0002116800000000, 0.0001568800000000 ] - [ 0.0000026700000000, 0.0002730100000000, 0.0001465800000000 ] - [ 0.0000343600000000, -0.0002687400000000, 0.0001395100000000 ] - [ 0.0000009300000000, -0.0002383000000000, 0.0001408900000000 ] - [ 0.0000678500000000, -0.0000071800000000, 0.0000056300000000 ] - [ 0.0000453800000000, 0.0000085700000000, -0.0000003400000000 ] - [ -0.0012922100000000, -0.0011868100000000, -0.0032620900000000 ] - [ -0.0000513000000000, 0.0000162800000000, 0.0000036800000000 ] - [ 0.0002007200000000, 0.0000550900000000, -0.0001779800000000 ] - [ -0.0000435000000000, 0.0000098000000000, 0.0000008300000000 ] - [ -0.0037330200000000, 0.0001058600000000, 0.0015544700000000 ] - [ 0.0000528900000000, 0.0000156100000000, 0.0000052700000000 ] - [ -0.0010028700000000, -0.0002654700000000, -0.0004469500000000 ] - [ -0.0000061100000000, -0.0000971600000000, 0.0001104600000000 ] - [ -0.0000474100000000, 0.0003620500000000, -0.0000231300000000 ] - [ -0.0000377400000000, 0.0001217800000000, 0.0001646600000000 ] - [ 0.0000356100000000, -0.0001230400000000, 0.0000099900000000 ] - [ -0.0000292800000000, -0.0001604500000000, -0.0001343500000000 ] - [ -0.0313579400000000, -0.0206833600000000, -0.0100547800000000 ] - [ -0.0000038100000000, 0.0001336800000000, -0.0001587600000000 ] - [ -0.0010013800000000, -0.0000149300000000, -0.0007205500000000 ] - [ -0.0000024100000000, 0.0002889600000000, -0.0001385500000000 ] - [ -0.0001177800000000, -0.0003376500000000, -0.0001809800000000 ] - [ 0.0000006400000000, -0.0002496700000000, -0.0001397700000000 ] - [ -0.0003013400000000, 0.0001196200000000, 0.0003154800000000 ] - [ -0.0000062800000000, 0.0003099900000000, 0.0001215300000000 ] - [ -0.0324500700000000, 0.0103302700000000, -0.0208055900000000 ] - [ -0.0000021900000000, -0.0002200100000000, 0.0001518500000000 ] - [ 0.0000284700000000, -0.0000467900000000, 0.0000096600000000 ] - [ 0.0001145000000000, 0.0003877400000000, 0.0000475700000000 ] - [ -0.0000711600000000, -0.0000222100000000, 0.0000146900000000 ] - [ 0.0000103700000000, 0.0000253000000000, -0.0000114100000000 ] - [ -0.0000220500000000, 0.0000190200000000, -0.0000458300000000 ] - [ -0.0000426600000000, 0.0000247000000000, 0.0000710100000000 ] - [ 0.0001804900000000, -0.0000042000000000, -0.0000117600000000 ] - [ 0.0000825500000000, -0.0000157700000000, 0.0000136400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000005300000000, -0.0000002000000000, 0.0000367000000000 ] - [ -0.0000010000000000, -0.0000130400000000, 0.0000146400000000 ] - [ -0.0000004900000000, 0.0000583600000000, -0.0000163400000000 ] - [ -0.0000004900000000, 0.0000282600000000, 0.0000042300000000 ] - [ -0.0000013100000000, -0.0000752800000000, 0.0000398300000000 ] - [ 0.0000002300000000, -0.0000039000000000, -0.0000252000000000 ] - [ -0.0000067100000000, -0.0000216400000000, -0.0000672700000000 ] - [ 0.0000000400000000, 0.0000378800000000, 0.0000073100000000 ] - [ 0.0002853500000000, -0.0000117100000000, 0.0000289500000000 ] - [ 0.0002233500000000, 0.0000044600000000, -0.0000010500000000 ] - [ -0.0000217700000000, -0.0001933900000000, 0.0000243900000000 ] - [ -0.0002064600000000, 0.0000049800000000, 0.0000008400000000 ] - [ 0.0001272100000000, 0.0000535900000000, 0.0000059500000000 ] - [ -0.0002232700000000, 0.0000048600000000, -0.0000007600000000 ] - [ -0.0009008500000000, -0.0003952100000000, 0.0004792700000000 ] - [ 0.0002058300000000, 0.0000039100000000, 0.0000004700000000 ] - [ -0.0002637800000000, 0.0002243400000000, 0.0001746300000000 ] - [ -0.0002812800000000, 0.0002444900000000, 0.0001615600000000 ] - [ 0.0003024700000000, -0.0002640900000000, 0.0001664500000000 ] - [ 0.0002729300000000, -0.0002305800000000, 0.0001661200000000 ] - [ 0.0002952000000000, 0.0002427700000000, -0.0001478700000000 ] - [ 0.0002771200000000, 0.0002387700000000, -0.0001626100000000 ] - [ -0.0003062700000000, -0.0002440600000000, -0.0001508400000000 ] - [ -0.0002719900000000, -0.0002366100000000, -0.0001638700000000 ] - [ -0.0105253600000000, -0.0524185200000000, -0.0125811000000000 ] - [ 0.0002056100000000, -0.0002034000000000, 0.0001855500000000 ] - [ -0.0001864800000000, 0.0001953400000000, 0.0001972800000000 ] - [ -0.0002023300000000, 0.0002053000000000, 0.0001825800000000 ] - [ -0.0002520100000000, -0.0002661600000000, -0.0001011000000000 ] - [ -0.0002050900000000, -0.0002028800000000, -0.0001850500000000 ] - [ 0.0008300400000000, -0.0002924700000000, 0.0011727200000000 ] - [ 0.0002012300000000, 0.0002079400000000, -0.0001823700000000 ] - [ 0.0000638100000000, -0.0003081500000000, 0.0001605400000000 ] - [ -0.0002020300000000, 0.0002062000000000, -0.0001824600000000 ] - [ 0.0002166100000000, -0.0002001400000000, -0.0001896500000000 ] - [ 0.0002053600000000, -0.0002034600000000, -0.0001856700000000 ] - [ 0.0002242600000000, 0.0001939800000000, 0.0002051900000000 ] - [ 0.0002021500000000, 0.0002052200000000, 0.0001823500000000 ] - [ -0.0000744700000000, -0.0015899100000000, -0.0000844300000000 ] - [ -0.0002061000000000, -0.0002041200000000, 0.0001864300000000 ] - [ 0.0002708200000000, 0.0002446500000000, 0.0001485100000000 ] - [ 0.0002770500000000, 0.0002383000000000, 0.0001629700000000 ] - [ -0.0002636700000000, -0.0001972300000000, 0.0001725400000000 ] - [ -0.0002732600000000, -0.0002308000000000, 0.0001653400000000 ] - [ -0.0002591900000000, 0.0002317000000000, -0.0001694100000000 ] - [ -0.0002769300000000, 0.0002385300000000, -0.0001630800000000 ] - [ 0.0002737800000000, -0.0002234900000000, -0.0001656500000000 ] - [ 0.0002851000000000, -0.0002387600000000, -0.0001662300000000 ] - [ -0.0000483000000000, 0.0001335000000000, 0.0000734200000000 ] - [ -0.0000011500000000, -0.0000080500000000, 0.0000083400000000 ] - [ 0.0016011100000000, 0.0023087200000000, -0.0020842800000000 ] - [ 0.0000001700000000, 0.0000292400000000, -0.0000028400000000 ] - [ 0.0000540500000000, -0.0001623300000000, 0.0001474700000000 ] - [ -0.0000000800000000, -0.0000001600000000, -0.0000275600000000 ] - [ -0.0015856700000000, 0.0022594700000000, -0.0006513700000000 ] - [ -0.0000005100000000, 0.0000374300000000, 0.0000082200000000 ] - [ 0.0001638700000000, -0.0000150900000000, 0.0000084500000000 ] - [ 0.0001901200000000, -0.0000073800000000, -0.0000056000000000 ] - [ -0.0002320700000000, -0.0000022700000000, -0.0000043000000000 ] - [ -0.0002669700000000, -0.0000193500000000, 0.0000017200000000 ] - [ -0.0001816300000000, -0.0000034100000000, -0.0000026300000000 ] - [ -0.0001912300000000, 0.0000063300000000, -0.0000010400000000 ] - [ 0.0003542900000000, 0.0001296100000000, 0.0000314000000000 ] - [ 0.0001838300000000, 0.0000084900000000, 0.0000067600000000 ] - [ -0.0018096200000000, -0.0005297200000000, -0.0014283700000000 ] - [ -0.0002798200000000, 0.0002380600000000, 0.0001594400000000 ] - [ 0.0003799800000000, 0.0006122900000000, 0.0013684900000000 ] - [ 0.0002633500000000, -0.0002239700000000, 0.0001661400000000 ] - [ 0.0002823100000000, 0.0002462200000000, -0.0001932600000000 ] - [ 0.0002762800000000, 0.0002558200000000, -0.0001621000000000 ] - [ 0.0016859500000000, 0.0001093900000000, 0.0014444900000000 ] - [ -0.0002717600000000, -0.0002296100000000, -0.0001695200000000 ] - [ 0.0002069100000000, -0.0002007900000000, 0.0001945200000000 ] - [ 0.0002063600000000, -0.0002008900000000, 0.0001863400000000 ] - [ -0.0001943000000000, 0.0001954300000000, 0.0001827600000000 ] - [ -0.0002056600000000, 0.0002007800000000, 0.0001798100000000 ] - [ -0.0002298000000000, -0.0002094500000000, -0.0001792700000000 ] - [ -0.0001955600000000, -0.0002097700000000, -0.0001709900000000 ] - [ 0.0002005000000000, 0.0002087200000000, -0.0001774700000000 ] - [ 0.0002125500000000, 0.0001969900000000, -0.0001851700000000 ] - [ -0.0002031200000000, 0.0002043600000000, -0.0001824900000000 ] - [ -0.0002004900000000, 0.0002054700000000, -0.0001822600000000 ] - [ 0.0001609000000000, -0.0001826600000000, -0.0001376400000000 ] - [ 0.0002165100000000, -0.0001826000000000, -0.0001946300000000 ] - [ 0.0002004900000000, 0.0002092300000000, 0.0001812400000000 ] - [ 0.0001977000000000, 0.0002125500000000, 0.0001926300000000 ] - [ -0.0001912100000000, -0.0002021300000000, 0.0001681600000000 ] - [ -0.0002068000000000, -0.0002022300000000, 0.0001868800000000 ] - [ 0.0000821900000000, -0.0007311700000000, -0.0009390400000000 ] - [ 0.0002791400000000, 0.0002403500000000, 0.0001636900000000 ] - [ -0.0002682300000000, -0.0002575300000000, 0.0001580300000000 ] - [ -0.0002763900000000, -0.0002312000000000, 0.0001709400000000 ] - [ -0.0003029400000000, 0.0002595700000000, -0.0001727200000000 ] - [ -0.0002753700000000, 0.0002267000000000, -0.0001689900000000 ] - [ 0.0000501900000000, 0.0013063600000000, 0.0009258000000000 ] - [ 0.0002721300000000, -0.0002294500000000, -0.0001666200000000 ] - [ -0.0000263800000000, -0.0001151000000000, 0.0000912200000000 ] - [ 0.0000028500000000, -0.0001277400000000, 0.0001353800000000 ] - [ -0.0000484900000000, 0.0002023400000000, 0.0001483700000000 ] - [ -0.0000003700000000, 0.0001081000000000, 0.0001166800000000 ] - [ 0.0000145900000000, -0.0001054400000000, -0.0001623000000000 ] - [ -0.0000013700000000, -0.0001199300000000, -0.0001299500000000 ] - [ -0.0000130100000000, 0.0000938200000000, -0.0001114700000000 ] - [ -0.0000136400000000, 0.0001167300000000, -0.0001267500000000 ] - [ -0.0000119700000000, 0.0002459500000000, -0.0001308200000000 ] - [ 0.0000021200000000, 0.0002480900000000, -0.0001477400000000 ] - [ -0.0000422500000000, -0.0003198300000000, -0.0002260000000000 ] - [ -0.0000015800000000, -0.0002605200000000, -0.0001464800000000 ] - [ -0.0000151300000000, 0.0002860100000000, 0.0001040100000000 ] - [ 0.0000000700000000, 0.0002401300000000, 0.0001494400000000 ] - [ -0.0000272700000000, -0.0002121100000000, 0.0001638600000000 ] - [ 0.0000006300000000, -0.0002677100000000, 0.0001428600000000 ] - [ -0.0000125000000000, 0.0000033200000000, 0.0000228900000000 ] - [ 0.0000417800000000, -0.0000049200000000, 0.0000014900000000 ] - [ 0.0001721900000000, 0.0007485900000000, 0.0001292800000000 ] - [ -0.0000583500000000, -0.0000139400000000, 0.0000030600000000 ] - [ -0.0004644400000000, -0.0000158000000000, 0.0000440600000000 ] - [ -0.0000440300000000, -0.0000027500000000, 0.0000014600000000 ] - [ 0.0005326000000000, 0.0119662800000000, 0.0120706400000000 ] - [ 0.0000596400000000, -0.0000052200000000, -0.0000019200000000 ] - [ -0.0009647500000000, 0.0000243500000000, -0.0005034500000000 ] - [ 0.0000055200000000, -0.0001242000000000, 0.0001339100000000 ] - [ -0.0001094400000000, 0.0000446200000000, -0.0002144100000000 ] - [ 0.0000463900000000, 0.0001098400000000, 0.0001052500000000 ] - [ -0.0000341900000000, -0.0001471700000000, -0.0002029400000000 ] - [ 0.0000008000000000, -0.0001467300000000, -0.0001360400000000 ] - [ 0.0211675300000000, 0.0260012700000000, 0.0111872900000000 ] - [ -0.0000019500000000, 0.0001076300000000, -0.0001208600000000 ] - [ 0.0017993600000000, 0.0008483200000000, 0.0020363700000000 ] - [ -0.0000012400000000, 0.0002403200000000, -0.0001495600000000 ] - [ 0.0003098100000000, -0.0002838500000000, -0.0001910700000000 ] - [ -0.0000114300000000, -0.0002458200000000, -0.0001376300000000 ] - [ -0.0000256000000000, 0.0003381300000000, 0.0002584000000000 ] - [ 0.0000116500000000, 0.0002278300000000, 0.0001558900000000 ] - [ -0.0121593000000000, 0.0098947300000000, -0.0126875100000000 ] - [ 0.0000033400000000, -0.0002735300000000, 0.0001437800000000 ] - [ 0.0000764300000000, -0.0000026600000000, -0.0000265400000000 ] - [ 0.0000859100000000, 0.0000608300000000, 0.0001013500000000 ] - [ -0.0000316100000000, 0.0000185500000000, 0.0000013100000000 ] - [ -0.0000041800000000, -0.0000313700000000, -0.0000040800000000 ] - [ -0.0001024800000000, -0.0000070700000000, 0.0000380300000000 ] - [ -0.0000458100000000, 0.0000038600000000, 0.0000193900000000 ] - [ -0.0000821200000000, 0.0000038800000000, 0.0000057000000000 ] - [ 0.0000859700000000, 0.0000053500000000, -0.0000201600000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000002900000000, -0.0000420100000000, -0.0000179800000000 ] - [ 0.0000008100000000, -0.0000288200000000, 0.0000040500000000 ] - [ 0.0000007700000000, -0.0000147600000000, 0.0000341400000000 ] - [ 0.0000002200000000, 0.0000155700000000, 0.0000136400000000 ] - [ 0.0000014800000000, 0.0000305200000000, -0.0000567600000000 ] - [ 0.0000001300000000, -0.0000381400000000, 0.0000062300000000 ] - [ 0.0000071100000000, 0.0000627600000000, 0.0000470300000000 ] - [ 0.0000002900000000, 0.0000054400000000, -0.0000251000000000 ] - [ 0.0001509000000000, 0.0000117100000000, -0.0000294600000000 ] - [ 0.0002107600000000, -0.0000041000000000, 0.0000005600000000 ] - [ -0.0004085100000000, 0.0001939100000000, -0.0000247500000000 ] - [ -0.0002275000000000, -0.0000048100000000, -0.0000004100000000 ] - [ -0.0005522800000000, -0.0000555500000000, 0.0000027300000000 ] - [ -0.0002117700000000, -0.0000040200000000, 0.0000010600000000 ] - [ 0.0013284100000000, 0.0004027500000000, -0.0004749000000000 ] - [ 0.0002286300000000, -0.0000033500000000, -0.0000008900000000 ] - [ -0.0002849700000000, 0.0002468000000000, 0.0001545400000000 ] - [ -0.0002678800000000, 0.0002269500000000, 0.0001674000000000 ] - [ 0.0002478700000000, -0.0002074000000000, 0.0001628600000000 ] - [ 0.0002758900000000, -0.0002399600000000, 0.0001641400000000 ] - [ 0.0002544900000000, 0.0002282300000000, -0.0001811800000000 ] - [ 0.0002720200000000, 0.0002325300000000, -0.0001663400000000 ] - [ -0.0002436200000000, -0.0002257000000000, -0.0001788600000000 ] - [ -0.0002771800000000, -0.0002345600000000, -0.0001658000000000 ] - [ 0.0120480000000000, 0.0527022000000000, 0.0136499400000000 ] - [ 0.0002002400000000, -0.0002052600000000, 0.0001851500000000 ] - [ -0.0002186600000000, 0.0002142300000000, 0.0001730800000000 ] - [ -0.0002031900000000, 0.0002036900000000, 0.0001876400000000 ] - [ -0.0001548100000000, -0.0001439200000000, -0.0002666400000000 ] - [ -0.0002007400000000, -0.0002055600000000, -0.0001853400000000 ] - [ -0.0004213700000000, 0.0007060200000000, -0.0015517000000000 ] - [ 0.0002043300000000, 0.0002010900000000, -0.0001878700000000 ] - [ -0.0004748200000000, 0.0007193300000000, -0.0005315300000000 ] - [ -0.0002037400000000, 0.0002031500000000, -0.0001871400000000 ] - [ 0.0001895600000000, -0.0002082000000000, -0.0001800500000000 ] - [ 0.0002003500000000, -0.0002054000000000, -0.0001841200000000 ] - [ 0.0001826500000000, 0.0002152100000000, 0.0001655000000000 ] - [ 0.0002035300000000, 0.0002039700000000, 0.0001872700000000 ] - [ -0.0003158100000000, 0.0011878200000000, 0.0004559200000000 ] - [ -0.0001998000000000, -0.0002048000000000, 0.0001834500000000 ] - [ 0.0002784300000000, 0.0002265300000000, 0.0001813200000000 ] - [ 0.0002729000000000, 0.0002333700000000, 0.0001664900000000 ] - [ -0.0002854700000000, -0.0002733700000000, 0.0001561500000000 ] - [ -0.0002753600000000, -0.0002400700000000, 0.0001640700000000 ] - [ -0.0002892200000000, 0.0002390000000000, -0.0001610800000000 ] - [ -0.0002721900000000, 0.0002337100000000, -0.0001662200000000 ] - [ 0.0002758800000000, -0.0002470400000000, -0.0001631100000000 ] - [ 0.0002642700000000, -0.0002322900000000, -0.0001628500000000 ] - [ 0.0000490200000000, -0.0001743900000000, -0.0000526900000000 ] - [ 0.0000006600000000, -0.0000330600000000, 0.0000113500000000 ] - [ -0.0016321000000000, -0.0022712800000000, 0.0021209500000000 ] - [ -0.0000005700000000, 0.0000157800000000, 0.0000193300000000 ] - [ -0.0000543800000000, 0.0001161200000000, -0.0001600700000000 ] - [ 0.0000001900000000, -0.0000412800000000, 0.0000078900000000 ] - [ 0.0015475600000000, -0.0021707600000000, 0.0006140000000000 ] - [ 0.0000006900000000, 0.0000069200000000, -0.0000248200000000 ] - [ 0.0002688000000000, 0.0000145500000000, -0.0000089700000000 ] - [ 0.0002439700000000, 0.0000081800000000, 0.0000053800000000 ] - [ -0.0002045700000000, 0.0000028700000000, 0.0000048600000000 ] - [ -0.0001665800000000, 0.0000200100000000, -0.0000016100000000 ] - [ -0.0002508300000000, 0.0000035300000000, 0.0000031400000000 ] - [ -0.0002431800000000, -0.0000060400000000, 0.0000015900000000 ] - [ 0.0000815400000000, -0.0001291900000000, -0.0000317300000000 ] - [ 0.0002506000000000, -0.0000087900000000, -0.0000074200000000 ] - [ 0.0012676000000000, 0.0009964400000000, 0.0017706900000000 ] - [ -0.0002697000000000, 0.0002333300000000, 0.0001697500000000 ] - [ 0.0001633600000000, -0.0010573100000000, -0.0010116600000000 ] - [ 0.0002850200000000, -0.0002466500000000, 0.0001633900000000 ] - [ 0.0002669600000000, 0.0002263500000000, -0.0001359700000000 ] - [ 0.0002722400000000, 0.0002174500000000, -0.0001661200000000 ] - [ -0.0022737100000000, -0.0005972100000000, -0.0017948300000000 ] - [ -0.0002773000000000, -0.0002408700000000, -0.0001605100000000 ] - [ 0.0001987300000000, -0.0002079300000000, 0.0001748200000000 ] - [ 0.0001997800000000, -0.0002079600000000, 0.0001833100000000 ] - [ -0.0002128000000000, 0.0002140000000000, 0.0001881800000000 ] - [ -0.0001994000000000, 0.0002090500000000, 0.0001892300000000 ] - [ -0.0001760500000000, -0.0001990800000000, -0.0001909800000000 ] - [ -0.0002108600000000, -0.0001990800000000, -0.0001990600000000 ] - [ 0.0002061100000000, 0.0002005300000000, -0.0001929600000000 ] - [ 0.0001935200000000, 0.0002120100000000, -0.0001848200000000 ] - [ -0.0002027800000000, 0.0002052900000000, -0.0001872800000000 ] - [ -0.0002054900000000, 0.0002035000000000, -0.0001878800000000 ] - [ 0.0002456100000000, -0.0002264700000000, -0.0002339800000000 ] - [ 0.0001891800000000, -0.0002267500000000, -0.0001759900000000 ] - [ 0.0002047000000000, 0.0002005700000000, 0.0001884900000000 ] - [ 0.0002077200000000, 0.0001968600000000, 0.0001770700000000 ] - [ -0.0002143500000000, -0.0002064700000000, 0.0002014500000000 ] - [ -0.0001985800000000, -0.0002069300000000, 0.0001823900000000 ] - [ 0.0004551500000000, 0.0011998500000000, 0.0012620700000000 ] - [ 0.0002701400000000, 0.0002319500000000, 0.0001657300000000 ] - [ -0.0002802600000000, -0.0002125300000000, 0.0001703100000000 ] - [ -0.0002718400000000, -0.0002383700000000, 0.0001584000000000 ] - [ -0.0002468000000000, 0.0002122100000000, -0.0001571200000000 ] - [ -0.0002746100000000, 0.0002452900000000, -0.0001601300000000 ] - [ 0.0004872000000000, -0.0018199800000000, -0.0012906200000000 ] - [ 0.0002765100000000, -0.0002412700000000, -0.0001626000000000 ] - [ 0.0000243100000000, -0.0001145900000000, 0.0001605700000000 ] - [ -0.0000038300000000, -0.0001041000000000, 0.0001185500000000 ] - [ 0.0000464400000000, 0.0000314700000000, 0.0001055400000000 ] - [ -0.0000020900000000, 0.0001220800000000, 0.0001343800000000 ] - [ -0.0000136800000000, -0.0001256200000000, -0.0000928100000000 ] - [ -0.0000000300000000, -0.0001100600000000, -0.0001254500000000 ] - [ 0.0000120800000000, 0.0001362700000000, -0.0001410000000000 ] - [ 0.0000124800000000, 0.0001155000000000, -0.0001263300000000 ] - [ 0.0000099500000000, 0.0002612800000000, -0.0001608300000000 ] - [ -0.0000042000000000, 0.0002622100000000, -0.0001446800000000 ] - [ 0.0000405600000000, -0.0001915700000000, -0.0000673600000000 ] - [ -0.0000004800000000, -0.0002485000000000, -0.0001464900000000 ] - [ 0.0000161700000000, 0.0002240700000000, 0.0001880000000000 ] - [ -0.0000012500000000, 0.0002720800000000, 0.0001407000000000 ] - [ 0.0000262500000000, -0.0002949200000000, 0.0001286100000000 ] - [ -0.0000006900000000, -0.0002413900000000, 0.0001505400000000 ] - [ 0.0001112200000000, -0.0000036700000000, -0.0000227300000000 ] - [ 0.0000537200000000, 0.0000056500000000, -0.0000022200000000 ] - [ -0.0002864400000000, -0.0007475300000000, -0.0001324000000000 ] - [ -0.0000362100000000, 0.0000133700000000, -0.0000037400000000 ] - [ 0.0003558500000000, 0.0000144200000000, -0.0000430600000000 ] - [ -0.0000577700000000, 0.0000036200000000, -0.0000018700000000 ] - [ -0.0004226600000000, -0.0119897000000000, -0.0121673800000000 ] - [ 0.0000415400000000, 0.0000052300000000, 0.0000009200000000 ] - [ 0.0009519700000000, -0.0002478600000000, 0.0007538400000000 ] - [ -0.0000040900000000, -0.0001062100000000, 0.0001193400000000 ] - [ 0.0001084500000000, 0.0001818100000000, 0.0004698600000000 ] - [ -0.0000463300000000, 0.0001198200000000, 0.0001473500000000 ] - [ 0.0000350000000000, -0.0000827800000000, -0.0000493300000000 ] - [ -0.0000002100000000, -0.0000835900000000, -0.0001172400000000 ] - [ -0.0220112800000000, -0.0265013100000000, -0.0118710200000000 ] - [ 0.0000041300000000, 0.0001229400000000, -0.0001324100000000 ] - [ -0.0018350400000000, -0.0003291100000000, -0.0023451200000000 ] - [ 0.0000024000000000, 0.0002662500000000, -0.0001457800000000 ] - [ -0.0003044400000000, -0.0002339000000000, -0.0000927600000000 ] - [ 0.0000112600000000, -0.0002632100000000, -0.0001536900000000 ] - [ 0.0000318800000000, 0.0001716300000000, 0.0000324800000000 ] - [ -0.0000100900000000, 0.0002781000000000, 0.0001384800000000 ] - [ 0.0120561700000000, -0.0103945500000000, 0.0128392700000000 ] - [ -0.0000013400000000, -0.0002344900000000, 0.0001499100000000 ] - [ 0.0000258800000000, 0.0000028000000000, 0.0000278800000000 ] - [ 0.0000125300000000, -0.0000696500000000, -0.0000994500000000 ] - [ -0.0000708600000000, -0.0000178000000000, -0.0000015100000000 ] - [ -0.0000953600000000, 0.0000297000000000, 0.0000045200000000 ] - [ 0.0000042800000000, 0.0000077600000000, -0.0000372800000000 ] - [ -0.0000533200000000, -0.0000045600000000, -0.0000189700000000 ] - [ 0.0001803100000000, -0.0000023900000000, -0.0000058700000000 ] - [ 0.0000102200000000, -0.0000053700000000, 0.0000198400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000122800000000, -0.0000661600000000, -0.0000351200000000 ] - [ -0.0000005400000000, 0.0000026200000000, 0.0000296000000000 ] - [ 0.0000136200000000, -0.0000178200000000, 0.0000426500000000 ] - [ 0.0000000200000000, 0.0000434200000000, -0.0000124800000000 ] - [ 0.0000016700000000, -0.0000182600000000, -0.0000107300000000 ] - [ -0.0000003000000000, -0.0000031500000000, -0.0000211400000000 ] - [ 0.0000102100000000, 0.0000270900000000, -0.0000323300000000 ] - [ -0.0000005200000000, 0.0000382100000000, 0.0000078300000000 ] - [ 0.0002699800000000, -0.0000129200000000, 0.0000284000000000 ] - [ 0.0002110300000000, 0.0000093500000000, -0.0000019000000000 ] - [ 0.0001810700000000, 0.0000051500000000, -0.0001297700000000 ] - [ -0.0002193500000000, 0.0000059700000000, 0.0000013900000000 ] - [ -0.0001446500000000, -0.0002095100000000, 0.0010310600000000 ] - [ -0.0002074600000000, 0.0000118800000000, -0.0000026000000000 ] - [ -0.0027686000000000, 0.0004153500000000, 0.0007917100000000 ] - [ 0.0002181200000000, 0.0000070100000000, 0.0000013800000000 ] - [ -0.0002753600000000, 0.0002386200000000, 0.0001731800000000 ] - [ -0.0002699000000000, 0.0002378900000000, 0.0001631800000000 ] - [ 0.0002828100000000, -0.0002507300000000, 0.0001766600000000 ] - [ 0.0002723100000000, -0.0002284200000000, 0.0001685000000000 ] - [ 0.0002699100000000, 0.0002349800000000, -0.0001496200000000 ] - [ 0.0002795800000000, 0.0002412500000000, -0.0001607600000000 ] - [ -0.0002976900000000, -0.0001750800000000, -0.0001788000000000 ] - [ -0.0002698900000000, -0.0002293100000000, -0.0001671000000000 ] - [ -0.0310568900000000, -0.0130833000000000, -0.0845479600000000 ] - [ 0.0002064700000000, -0.0002033500000000, 0.0001869000000000 ] - [ -0.0002202400000000, 0.0001910300000000, 0.0002355800000000 ] - [ -0.0002006900000000, 0.0002062700000000, 0.0001810000000000 ] - [ -0.0002575200000000, -0.0002872300000000, -0.0000072100000000 ] - [ -0.0002062400000000, -0.0002038200000000, -0.0001864600000000 ] - [ 0.0018167900000000, 0.0015466100000000, 0.0022666800000000 ] - [ 0.0001980100000000, 0.0002063100000000, -0.0001783500000000 ] - [ 0.0005307300000000, 0.0005491700000000, 0.0001820600000000 ] - [ -0.0002002100000000, 0.0002062500000000, -0.0001816600000000 ] - [ 0.0001915700000000, -0.0001987400000000, -0.0001450700000000 ] - [ 0.0002071800000000, -0.0002032300000000, -0.0001869400000000 ] - [ 0.0002117000000000, 0.0001837700000000, 0.0001992900000000 ] - [ 0.0002018400000000, 0.0002064700000000, 0.0001820600000000 ] - [ 0.0001498600000000, -0.0004751700000000, -0.0018363500000000 ] - [ -0.0002078700000000, -0.0002024000000000, 0.0001876300000000 ] - [ 0.0002812900000000, 0.0002407600000000, 0.0001492300000000 ] - [ 0.0002865100000000, 0.0002373400000000, 0.0001641600000000 ] - [ -0.0002820500000000, -0.0002065800000000, 0.0001683500000000 ] - [ -0.0002713100000000, -0.0002285600000000, 0.0001697700000000 ] - [ -0.0002801700000000, 0.0002326100000000, -0.0001782800000000 ] - [ -0.0002787700000000, 0.0002415400000000, -0.0001610500000000 ] - [ 0.0002828800000000, -0.0002400000000000, -0.0001406000000000 ] - [ 0.0002752800000000, -0.0002284300000000, -0.0001693100000000 ] - [ 0.0000394600000000, 0.0003474500000000, 0.0001624300000000 ] - [ 0.0000014700000000, 0.0000122300000000, 0.0000301000000000 ] - [ -0.0013734900000000, -0.0026911000000000, 0.0008917900000000 ] - [ -0.0000013000000000, 0.0000602800000000, -0.0000388200000000 ] - [ -0.0000917300000000, -0.0005095600000000, 0.0003941500000000 ] - [ 0.0000016900000000, 0.0000082200000000, -0.0000398900000000 ] - [ 0.0000138400000000, -0.0002220300000000, -0.0006702200000000 ] - [ 0.0000006300000000, 0.0000484600000000, 0.0000102900000000 ] - [ 0.0002159700000000, 0.0000198400000000, -0.0000022000000000 ] - [ 0.0002449200000000, 0.0000193200000000, 0.0000095800000000 ] - [ -0.0002110400000000, -0.0000132500000000, -0.0000079100000000 ] - [ -0.0001561100000000, 0.0000244300000000, -0.0000380000000000 ] - [ -0.0002004200000000, 0.0000068200000000, -0.0000032700000000 ] - [ -0.0002440600000000, 0.0000057900000000, -0.0000013600000000 ] - [ 0.0002529400000000, 0.0000333900000000, 0.0000119600000000 ] - [ 0.0002518900000000, -0.0000526100000000, -0.0000192000000000 ] - [ 0.0007779300000000, 0.0005341200000000, 0.0005200900000000 ] - [ -0.0002828400000000, 0.0002430800000000, 0.0001598700000000 ] - [ -0.0000234200000000, 0.0014567000000000, 0.0010141600000000 ] - [ 0.0002786500000000, -0.0002194200000000, 0.0001712000000000 ] - [ 0.0003167900000000, 0.0003358200000000, -0.0001452700000000 ] - [ 0.0002329600000000, 0.0003162600000000, -0.0001524800000000 ] - [ -0.0004070400000000, -0.0005533800000000, -0.0009185600000000 ] - [ -0.0002691100000000, -0.0002243000000000, -0.0001664500000000 ] - [ 0.0002069500000000, -0.0002023100000000, 0.0001893200000000 ] - [ 0.0002144400000000, -0.0001946000000000, 0.0001891900000000 ] - [ -0.0002601400000000, 0.0002064700000000, 0.0002212400000000 ] - [ -0.0001965700000000, 0.0002086100000000, 0.0001976800000000 ] - [ -0.0001887200000000, -0.0002179900000000, -0.0001665500000000 ] - [ -0.0002137600000000, -0.0002098600000000, -0.0001667000000000 ] - [ 0.0002233500000000, 0.0002115700000000, -0.0002115400000000 ] - [ 0.0002041800000000, 0.0002040000000000, -0.0001811800000000 ] - [ -0.0002037700000000, 0.0002065200000000, -0.0001821500000000 ] - [ -0.0001988800000000, 0.0002067500000000, -0.0001823900000000 ] - [ 0.0002090500000000, -0.0001948500000000, -0.0002020100000000 ] - [ 0.0001954700000000, -0.0002519100000000, -0.0002023300000000 ] - [ 0.0001909900000000, 0.0002076900000000, 0.0001791800000000 ] - [ 0.0002068900000000, 0.0001956600000000, 0.0001998200000000 ] - [ -0.0001975400000000, -0.0002019900000000, 0.0001735800000000 ] - [ -0.0001966500000000, -0.0002207400000000, 0.0001737100000000 ] - [ -0.0002256700000000, -0.0017097800000000, 0.0016880400000000 ] - [ 0.0002815700000000, 0.0002442500000000, 0.0001609000000000 ] - [ -0.0002396300000000, -0.0002064400000000, 0.0001386600000000 ] - [ -0.0002708400000000, -0.0002266100000000, 0.0001705300000000 ] - [ -0.0002954300000000, 0.0002356000000000, -0.0001589600000000 ] - [ -0.0002932200000000, 0.0002413600000000, -0.0001563600000000 ] - [ -0.0002586600000000, 0.0017306700000000, -0.0011260600000000 ] - [ 0.0002677900000000, -0.0002257500000000, -0.0001694800000000 ] - [ -0.0000121900000000, -0.0001255800000000, 0.0001213100000000 ] - [ -0.0000011700000000, -0.0001091700000000, 0.0001276000000000 ] - [ -0.0000874400000000, 0.0002733500000000, 0.0001312100000000 ] - [ -0.0000035600000000, 0.0001021000000000, 0.0001179400000000 ] - [ 0.0000097600000000, -0.0000423500000000, -0.0000938600000000 ] - [ -0.0000014500000000, -0.0001278700000000, -0.0001371300000000 ] - [ -0.0000709600000000, 0.0000750600000000, -0.0001826900000000 ] - [ -0.0000089000000000, 0.0001091300000000, -0.0001159100000000 ] - [ -0.0000823800000000, 0.0002913200000000, -0.0000398000000000 ] - [ 0.0000003100000000, 0.0002313100000000, -0.0001467400000000 ] - [ -0.0000918500000000, -0.0003223500000000, -0.0003304000000000 ] - [ -0.0000009100000000, -0.0002778500000000, -0.0001436800000000 ] - [ -0.0000124000000000, 0.0002028000000000, 0.0001078300000000 ] - [ -0.0000025500000000, 0.0002368500000000, 0.0001460300000000 ] - [ -0.0000159900000000, -0.0002542500000000, 0.0001650200000000 ] - [ 0.0000006500000000, -0.0002724300000000, 0.0001538100000000 ] - [ 0.0000296600000000, 0.0000037600000000, 0.0000001400000000 ] - [ 0.0000539500000000, -0.0000086700000000, 0.0000008400000000 ] - [ 0.0006960800000000, 0.0001856300000000, 0.0010497700000000 ] - [ -0.0000477900000000, -0.0000134700000000, -0.0000043800000000 ] - [ 0.0002537600000000, 0.0000421900000000, -0.0001723000000000 ] - [ -0.0000575500000000, -0.0000101000000000, -0.0000003100000000 ] - [ 0.0003132400000000, 0.0120040300000000, 0.0422389200000000 ] - [ 0.0000479700000000, -0.0000172700000000, -0.0000050600000000 ] - [ 0.0017174900000000, 0.0014193800000000, 0.0024841200000000 ] - [ 0.0000038700000000, -0.0001324400000000, 0.0001458700000000 ] - [ 0.0000044100000000, -0.0002672800000000, 0.0000175300000000 ] - [ 0.0000233600000000, 0.0000995800000000, 0.0001033400000000 ] - [ -0.0000580900000000, -0.0001861700000000, -0.0002521800000000 ] - [ 0.0000207200000000, -0.0000745200000000, -0.0001136800000000 ] - [ 0.0087415900000000, 0.0099135500000000, 0.0072089100000000 ] - [ 0.0000046400000000, 0.0000979900000000, -0.0000982400000000 ] - [ 0.0007600800000000, 0.0003174800000000, 0.0019549500000000 ] - [ 0.0000048100000000, 0.0002226600000000, -0.0001546600000000 ] - [ -0.0003877800000000, 0.0000638000000000, -0.0003358900000000 ] - [ 0.0000127400000000, -0.0002013600000000, -0.0001282700000000 ] - [ 0.0003259700000000, 0.0005907900000000, 0.0000345500000000 ] - [ -0.0000034300000000, 0.0002680300000000, 0.0001388600000000 ] - [ 0.0207164200000000, -0.0111340800000000, 0.0258703000000000 ] - [ 0.0000020500000000, -0.0002819000000000, 0.0001435500000000 ] - [ 0.0001185300000000, -0.0001470800000000, 0.0000047500000000 ] - [ 0.0000575900000000, -0.0004219900000000, 0.0001644200000000 ] - [ -0.0000501100000000, -0.0000067500000000, -0.0000005700000000 ] - [ -0.0001213400000000, -0.0000781100000000, 0.0000196800000000 ] - [ -0.0000508800000000, -0.0000443700000000, 0.0000282800000000 ] - [ -0.0000650600000000, -0.0000168800000000, -0.0000283700000000 ] - [ 0.0000183100000000, -0.0000172700000000, 0.0000047700000000 ] - [ 0.0000195600000000, 0.0000231500000000, -0.0000149500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000124500000000, 0.0000249600000000, 0.0000529000000000 ] - [ 0.0000002900000000, -0.0000426900000000, -0.0000123200000000 ] - [ -0.0000133200000000, 0.0000592500000000, -0.0000267600000000 ] - [ -0.0000002000000000, -0.0000012400000000, 0.0000279600000000 ] - [ -0.0000015900000000, -0.0000237300000000, -0.0000041300000000 ] - [ 0.0000006200000000, -0.0000383400000000, 0.0000058800000000 ] - [ -0.0000095900000000, 0.0000131900000000, 0.0000142500000000 ] - [ 0.0000008500000000, 0.0000020600000000, -0.0000239100000000 ] - [ 0.0001576300000000, 0.0000131000000000, -0.0000281400000000 ] - [ 0.0002177400000000, -0.0000094300000000, 0.0000018400000000 ] - [ -0.0006070300000000, -0.0000050400000000, 0.0001311900000000 ] - [ -0.0002108900000000, -0.0000060000000000, -0.0000006300000000 ] - [ -0.0002633000000000, 0.0002036500000000, -0.0009952300000000 ] - [ -0.0002210500000000, -0.0000116500000000, 0.0000033300000000 ] - [ 0.0031788700000000, -0.0004024200000000, -0.0007405800000000 ] - [ 0.0002124700000000, -0.0000068500000000, -0.0000014500000000 ] - [ -0.0002760000000000, 0.0002297100000000, 0.0001549600000000 ] - [ -0.0002813000000000, 0.0002314800000000, 0.0001664800000000 ] - [ 0.0002684900000000, -0.0002191400000000, 0.0001544400000000 ] - [ 0.0002785200000000, -0.0002409300000000, 0.0001618600000000 ] - [ 0.0002809100000000, 0.0002338100000000, -0.0001789900000000 ] - [ 0.0002716700000000, 0.0002283300000000, -0.0001679700000000 ] - [ -0.0002535100000000, -0.0002933900000000, -0.0001485300000000 ] - [ -0.0002813100000000, -0.0002395800000000, -0.0001625500000000 ] - [ 0.0320769900000000, 0.0131467800000000, 0.0875360200000000 ] - [ 0.0002009400000000, -0.0002058500000000, 0.0001819400000000 ] - [ -0.0001885800000000, 0.0002161600000000, 0.0001334300000000 ] - [ -0.0002069500000000, 0.0002031200000000, 0.0001876600000000 ] - [ -0.0001520000000000, -0.0001229800000000, -0.0003511800000000 ] - [ -0.0002013200000000, -0.0002057700000000, -0.0001812800000000 ] - [ -0.0014461500000000, -0.0011771000000000, -0.0027248400000000 ] - [ 0.0002092800000000, 0.0002028600000000, -0.0001895100000000 ] - [ -0.0009397500000000, -0.0001413900000000, -0.0005507400000000 ] - [ -0.0002069800000000, 0.0002030400000000, -0.0001861400000000 ] - [ 0.0002158500000000, -0.0002101300000000, -0.0002216200000000 ] - [ 0.0002004900000000, -0.0002062800000000, -0.0001810500000000 ] - [ 0.0001966900000000, 0.0002254700000000, 0.0001695700000000 ] - [ 0.0002059200000000, 0.0002029900000000, 0.0001865300000000 ] - [ -0.0005544000000000, 0.0000634500000000, 0.0022153500000000 ] - [ -0.0001993100000000, -0.0002068800000000, 0.0001810000000000 ] - [ 0.0002699300000000, 0.0002288100000000, 0.0001805700000000 ] - [ 0.0002646100000000, 0.0002317200000000, 0.0001662100000000 ] - [ -0.0002694900000000, -0.0002626600000000, 0.0001613700000000 ] - [ -0.0002794500000000, -0.0002406100000000, 0.0001599700000000 ] - [ -0.0002710200000000, 0.0002375400000000, -0.0001520000000000 ] - [ -0.0002723100000000, 0.0002281700000000, -0.0001684200000000 ] - [ 0.0002683200000000, -0.0002288100000000, -0.0001880000000000 ] - [ 0.0002759200000000, -0.0002405600000000, -0.0001596500000000 ] - [ -0.0000395800000000, -0.0003855000000000, -0.0001425900000000 ] - [ -0.0000017000000000, -0.0000515400000000, -0.0000120000000000 ] - [ 0.0013598100000000, 0.0026935300000000, -0.0008673800000000 ] - [ 0.0000011200000000, -0.0000180000000000, 0.0000545100000000 ] - [ 0.0000931600000000, 0.0004650100000000, -0.0004052900000000 ] - [ -0.0000014000000000, -0.0000497800000000, 0.0000241400000000 ] - [ -0.0000049600000000, 0.0002466700000000, 0.0006611500000000 ] - [ -0.0000003400000000, -0.0000084800000000, -0.0000270800000000 ] - [ 0.0002159600000000, -0.0000198800000000, 0.0000018000000000 ] - [ 0.0001864200000000, -0.0000185400000000, -0.0000091200000000 ] - [ -0.0002186700000000, 0.0000143400000000, 0.0000087600000000 ] - [ -0.0002740500000000, -0.0000252700000000, 0.0000381900000000 ] - [ -0.0002308200000000, -0.0000064600000000, 0.0000040300000000 ] - [ -0.0001868300000000, -0.0000056700000000, 0.0000022100000000 ] - [ 0.0001777900000000, -0.0000316400000000, -0.0000119000000000 ] - [ 0.0001778200000000, 0.0000521300000000, 0.0000191900000000 ] - [ -0.0013545700000000, -0.0000661800000000, -0.0002140000000000 ] - [ -0.0002681600000000, 0.0002266000000000, 0.0001695300000000 ] - [ 0.0005661300000000, -0.0018809700000000, -0.0006647200000000 ] - [ 0.0002722200000000, -0.0002507500000000, 0.0001589000000000 ] - [ 0.0002335400000000, 0.0001330600000000, -0.0001831900000000 ] - [ 0.0003168500000000, 0.0001566700000000, -0.0001755900000000 ] - [ -0.0001285200000000, 0.0000958300000000, 0.0005977900000000 ] - [ -0.0002815400000000, -0.0002451500000000, -0.0001632000000000 ] - [ 0.0002005900000000, -0.0002069500000000, 0.0001791900000000 ] - [ 0.0001927600000000, -0.0002153300000000, 0.0001789500000000 ] - [ -0.0001488900000000, 0.0002032100000000, 0.0001480200000000 ] - [ -0.0002109100000000, 0.0002003800000000, 0.0001712400000000 ] - [ -0.0002187100000000, -0.0001917900000000, -0.0002012100000000 ] - [ -0.0001940700000000, -0.0001993700000000, -0.0002013200000000 ] - [ 0.0001844400000000, 0.0001978000000000, -0.0001563200000000 ] - [ 0.0002031500000000, 0.0002059800000000, -0.0001865500000000 ] - [ -0.0002041700000000, 0.0002030000000000, -0.0001865900000000 ] - [ -0.0002085700000000, 0.0002031100000000, -0.0001854500000000 ] - [ 0.0001985500000000, -0.0002144200000000, -0.0001658700000000 ] - [ 0.0002120900000000, -0.0001577100000000, -0.0001661700000000 ] - [ 0.0002171400000000, 0.0002017200000000, 0.0001903000000000 ] - [ 0.0002006500000000, 0.0002134600000000, 0.0001692300000000 ] - [ -0.0002099500000000, -0.0002073900000000, 0.0001949200000000 ] - [ -0.0002107000000000, -0.0001888200000000, 0.0001948900000000 ] - [ 0.0007833400000000, 0.0022163700000000, -0.0013972000000000 ] - [ 0.0002695300000000, 0.0002258100000000, 0.0001690300000000 ] - [ -0.0003097600000000, -0.0002620600000000, 0.0001908700000000 ] - [ -0.0002799300000000, -0.0002429800000000, 0.0001590400000000 ] - [ -0.0002550900000000, 0.0002341700000000, -0.0001705200000000 ] - [ -0.0002579800000000, 0.0002285600000000, -0.0001728400000000 ] - [ 0.0008177700000000, -0.0022138000000000, 0.0008186200000000 ] - [ 0.0002830400000000, -0.0002436300000000, -0.0001593800000000 ] - [ 0.0000122700000000, -0.0001058500000000, 0.0001285300000000 ] - [ 0.0000011700000000, -0.0001225400000000, 0.0001258000000000 ] - [ 0.0000863700000000, -0.0000375100000000, 0.0001241200000000 ] - [ 0.0000015200000000, 0.0001277300000000, 0.0001335700000000 ] - [ -0.0000061200000000, -0.0001870500000000, -0.0001614900000000 ] - [ 0.0000005000000000, -0.0001016400000000, -0.0001154200000000 ] - [ 0.0000723000000000, 0.0001562800000000, -0.0000683200000000 ] - [ 0.0000084800000000, 0.0001223400000000, -0.0001352600000000 ] - [ 0.0000820600000000, 0.0002173000000000, -0.0002529000000000 ] - [ -0.0000015900000000, 0.0002771400000000, -0.0001466300000000 ] - [ 0.0000919900000000, -0.0001896800000000, 0.0000341500000000 ] - [ -0.0000008700000000, -0.0002318100000000, -0.0001481600000000 ] - [ 0.0000165300000000, 0.0003037300000000, 0.0001838900000000 ] - [ 0.0000017600000000, 0.0002744900000000, 0.0001454700000000 ] - [ 0.0000164400000000, -0.0002544100000000, 0.0001295300000000 ] - [ -0.0000002400000000, -0.0002353900000000, 0.0001406200000000 ] - [ 0.0000748000000000, -0.0000038900000000, 0.0000009900000000 ] - [ 0.0000469400000000, 0.0000092600000000, -0.0000006100000000 ] - [ -0.0008381000000000, -0.0001920500000000, -0.0010572600000000 ] - [ -0.0000508500000000, 0.0000133100000000, 0.0000044800000000 ] - [ -0.0003634000000000, -0.0000404000000000, 0.0001689200000000 ] - [ -0.0000463900000000, 0.0000108500000000, 0.0000006900000000 ] - [ -0.0001687200000000, -0.0128257200000000, -0.0445509200000000 ] - [ 0.0000540400000000, 0.0000172800000000, 0.0000047200000000 ] - [ -0.0017549100000000, -0.0016787200000000, -0.0022775600000000 ] - [ -0.0000027700000000, -0.0000986700000000, 0.0001074300000000 ] - [ 0.0000012900000000, 0.0004917400000000, 0.0002429600000000 ] - [ -0.0000220800000000, 0.0001297900000000, 0.0001506600000000 ] - [ 0.0000610300000000, -0.0000444700000000, -0.0000019200000000 ] - [ -0.0000215300000000, -0.0001543800000000, -0.0001390800000000 ] - [ -0.0086393400000000, -0.0095986200000000, -0.0073012900000000 ] - [ -0.0000028800000000, 0.0001329700000000, -0.0001547500000000 ] - [ -0.0007759100000000, 0.0001713200000000, -0.0022795300000000 ] - [ -0.0000038400000000, 0.0002829500000000, -0.0001407400000000 ] - [ 0.0003802700000000, -0.0005613200000000, 0.0000370300000000 ] - [ -0.0000125600000000, -0.0003055900000000, -0.0001634400000000 ] - [ -0.0003187000000000, -0.0000809600000000, 0.0002542400000000 ] - [ 0.0000046300000000, 0.0002399300000000, 0.0001544400000000 ] - [ -0.0213523900000000, 0.0109544100000000, -0.0260249400000000 ] - [ -0.0000003400000000, -0.0002237200000000, 0.0001520400000000 ] - [ -0.0000168900000000, 0.0001475900000000, -0.0000033000000000 ] - [ 0.0000426800000000, 0.0004076800000000, -0.0001633700000000 ] - [ -0.0000550300000000, 0.0000053600000000, 0.0000018900000000 ] - [ 0.0000211200000000, 0.0000783300000000, -0.0000199400000000 ] - [ -0.0000476000000000, 0.0000440900000000, -0.0000267100000000 ] - [ -0.0000362400000000, 0.0000146100000000, 0.0000291000000000 ] - [ 0.0000828400000000, 0.0000179700000000, -0.0000046900000000 ] - [ 0.0000804900000000, -0.0000236000000000, 0.0000148800000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000029200000000, -0.0000213500000000, 0.0000103600000000 ] - [ 0.0002614000000000, -0.0000082600000000, 0.0000288200000000 ] - [ -0.0000151700000000, 0.0000216200000000, 0.0000090600000000 ] - [ 0.0002007200000000, 0.0000203500000000, 0.0000106500000000 ] - [ 0.0061974800000000, 0.0000113500000000, 0.0000046700000000 ] - [ 0.0000005800000000, -0.0000207500000000, -0.0000089800000000 ] - [ -0.0006846200000000, 0.0000002500000000, -0.0000106400000000 ] - [ 0.0000014500000000, 0.0000216000000000, -0.0000082100000000 ] - [ 0.0001552000000000, 0.0000241600000000, 0.0000158900000000 ] - [ 0.0002226900000000, 0.0000231000000000, 0.0000246000000000 ] - [ -0.0009448500000000, -0.0005012500000000, -0.0000997900000000 ] - [ -0.0002334800000000, 0.0000237000000000, -0.0000274200000000 ] - [ -0.0002770100000000, -0.0000234000000000, -0.0000156600000000 ] - [ -0.0002088500000000, -0.0000231800000000, -0.0000245000000000 ] - [ -0.0005100500000000, 0.0005029500000000, 0.0000993800000000 ] - [ 0.0002003000000000, -0.0000229900000000, 0.0000282100000000 ] - [ 0.0311694600000000, -0.0202970200000000, -0.0116309500000000 ] - [ -0.0002703300000000, 0.0002387100000000, 0.0001634000000000 ] - [ 0.0003622100000000, 0.0001068800000000, -0.0001283200000000 ] - [ 0.0003102100000000, -0.0002029200000000, 0.0001661100000000 ] - [ 0.0003161000000000, 0.0003007500000000, -0.0001492600000000 ] - [ 0.0005433600000000, 0.0004934500000000, -0.0001959400000000 ] - [ -0.0002710600000000, -0.0002476400000000, -0.0001836200000000 ] - [ 0.0007431900000000, 0.0005168700000000, -0.0019376200000000 ] - [ 0.0001595700000000, -0.0002303400000000, 0.0001725100000000 ] - [ 0.0001967600000000, -0.0002011900000000, 0.0001841400000000 ] - [ -0.0001551000000000, 0.0000946800000000, 0.0001847000000000 ] - [ -0.0001652300000000, 0.0002507300000000, 0.0001625800000000 ] - [ -0.0002375600000000, -0.0001703700000000, -0.0002440100000000 ] - [ -0.0001727900000000, -0.0002049200000000, -0.0001638600000000 ] - [ 0.0001575400000000, 0.0002174500000000, -0.0001123200000000 ] - [ 0.0001972000000000, 0.0002175600000000, -0.0001759700000000 ] - [ -0.0002487300000000, 0.0001920100000000, -0.0002559900000000 ] - [ -0.0002090600000000, 0.0001912500000000, -0.0001933500000000 ] - [ 0.0001687200000000, -0.0002393000000000, -0.0001252600000000 ] - [ 0.0002334200000000, -0.0002039300000000, -0.0002055100000000 ] - [ 0.0002561000000000, 0.0003118900000000, 0.0001883400000000 ] - [ 0.0002411500000000, 0.0001584500000000, 0.0002079600000000 ] - [ -0.0002469400000000, -0.0001786200000000, 0.0001973100000000 ] - [ -0.0002094600000000, -0.0002075900000000, 0.0001860200000000 ] - [ 0.0328548400000000, 0.0218132300000000, 0.0125997400000000 ] - [ 0.0002792400000000, 0.0002324700000000, 0.0001660500000000 ] - [ -0.0001908100000000, -0.0005718200000000, 0.0004598800000000 ] - [ -0.0002388600000000, -0.0002673500000000, 0.0001636800000000 ] - [ -0.0002340200000000, 0.0001710300000000, -0.0001797600000000 ] - [ -0.0000058600000000, -0.0000181500000000, -0.0001297300000000 ] - [ 0.0002782900000000, -0.0002230100000000, -0.0001455400000000 ] - [ 0.0012767300000000, -0.0010087500000000, 0.0016235800000000 ] - [ 0.0000016900000000, -0.0000217400000000, 0.0000089500000000 ] - [ 0.0000001400000000, -0.0000210300000000, 0.0000091200000000 ] - [ 0.0000054400000000, 0.0000207300000000, 0.0000095200000000 ] - [ -0.0000001500000000, 0.0000217300000000, 0.0000084900000000 ] - [ 0.0000052600000000, -0.0000211100000000, -0.0000091100000000 ] - [ -0.0000123300000000, -0.0000213000000000, -0.0000085800000000 ] - [ 0.0000060300000000, 0.0000211700000000, -0.0000082500000000 ] - [ 0.0000150300000000, 0.0000215200000000, -0.0000088600000000 ] - [ -0.0000873500000000, 0.0000453700000000, -0.0002909600000000 ] - [ 0.0002120400000000, -0.0000005500000000, 0.0000006100000000 ] - [ 0.0019771000000000, -0.0002349800000000, 0.0005709600000000 ] - [ -0.0002105300000000, 0.0000039800000000, -0.0000000200000000 ] - [ -0.0005274600000000, -0.0000447500000000, 0.0002915300000000 ] - [ -0.0002204300000000, 0.0000007700000000, -0.0000003700000000 ] - [ 0.0024047100000000, 0.0002348400000000, -0.0005691600000000 ] - [ 0.0002217300000000, -0.0000038500000000, 0.0000002800000000 ] - [ -0.0003323900000000, 0.0002511400000000, 0.0001679300000000 ] - [ -0.0002682300000000, 0.0002695500000000, 0.0001668700000000 ] - [ 0.0002721600000000, -0.0002351300000000, 0.0001667700000000 ] - [ 0.0002502800000000, -0.0002186200000000, 0.0001938800000000 ] - [ 0.0002401900000000, 0.0001580300000000, -0.0001655300000000 ] - [ 0.0002732300000000, 0.0002363900000000, -0.0001653200000000 ] - [ -0.0002792900000000, -0.0003189200000000, -0.0001065100000000 ] - [ -0.0002814800000000, -0.0002304000000000, -0.0001654300000000 ] - [ 0.0011990000000000, -0.0011627700000000, 0.0019343500000000 ] - [ 0.0002092600000000, -0.0001995700000000, 0.0001883900000000 ] - [ -0.0002055000000000, 0.0002051700000000, 0.0001877300000000 ] - [ -0.0001780400000000, 0.0001569200000000, 0.0002706000000000 ] - [ -0.0002382600000000, -0.0002182300000000, -0.0001771100000000 ] - [ -0.0002039900000000, -0.0002037400000000, -0.0001858700000000 ] - [ 0.0002073900000000, 0.0002071800000000, -0.0001885600000000 ] - [ 0.0316735000000000, -0.0219550900000000, -0.0090849500000000 ] - [ -0.0001987000000000, 0.0002018800000000, -0.0001809700000000 ] - [ 0.0301533700000000, 0.0212292300000000, 0.0082998200000000 ] - [ 0.0001682700000000, -0.0001909600000000, -0.0001928600000000 ] - [ 0.0002018600000000, -0.0002053400000000, -0.0001836900000000 ] - [ 0.0002002200000000, 0.0002038000000000, 0.0001823700000000 ] - [ 0.0002298400000000, 0.0002528200000000, 0.0000967500000000 ] - [ 0.0008092000000000, 0.0007538000000000, -0.0015384200000000 ] - [ -0.0001966500000000, -0.0002095900000000, 0.0001814700000000 ] - [ 0.0002175200000000, 0.0002200300000000, 0.0001611900000000 ] - [ 0.0002812000000000, 0.0002009000000000, 0.0001627900000000 ] - [ -0.0002767400000000, -0.0002355400000000, 0.0001629200000000 ] - [ -0.0002997800000000, -0.0002517000000000, 0.0001352700000000 ] - [ -0.0003097600000000, 0.0003129300000000, -0.0001636000000000 ] - [ -0.0002761900000000, 0.0002347800000000, -0.0001634900000000 ] - [ 0.0002714800000000, -0.0001493100000000, -0.0002242000000000 ] - [ 0.0002677700000000, -0.0002405200000000, -0.0001639200000000 ] - [ -0.2443858500000000, 0.0003277100000000, -0.0008827600000000 ] - [ -0.0000043000000000, -0.0001155300000000, 0.0001269000000000 ] - [ 0.0005886900000000, 0.0001198900000000, 0.0001289400000000 ] - [ -0.0000120500000000, 0.0001140200000000, 0.0001250800000000 ] - [ -0.0007954500000000, -0.0001088700000000, -0.0001229000000000 ] - [ -0.0007937300000000, -0.0001132700000000, -0.0001314500000000 ] - [ -0.0000485200000000, 0.0001155300000000, -0.0001256500000000 ] - [ -0.0045029900000000, 0.0000950400000000, -0.0000817500000000 ] - [ -0.0000194100000000, 0.0002557800000000, -0.0001457000000000 ] - [ 0.0096397700000000, 0.0003226400000000, -0.0002155900000000 ] - [ 0.0001059400000000, -0.0002567300000000, -0.0001466600000000 ] - [ -0.0003457200000000, -0.0002545300000000, -0.0001459900000000 ] - [ 0.0032163600000000, 0.0002342400000000, 0.0001074600000000 ] - [ -0.0000023800000000, 0.0002530300000000, 0.0001465500000000 ] - [ 0.0096998100000000, -0.0002551300000000, 0.0000482100000000 ] - [ -0.0000002600000000, -0.0002561900000000, 0.0001465600000000 ] - [ -0.0001613700000000, -0.0000903600000000, -0.0005790800000000 ] - [ 0.0001535600000000, -0.0003161100000000, -0.0000115300000000 ] - [ 0.0005728000000000, -0.0000713200000000, -0.0000113600000000 ] - [ -0.0000339000000000, -0.0000499400000000, 0.0000235800000000 ] - [ -0.0002600500000000, 0.0000908000000000, 0.0005792700000000 ] - [ 0.0000525900000000, 0.0003138800000000, 0.0000117400000000 ] - [ 0.0006727100000000, 0.0000698400000000, 0.0000120300000000 ] - [ 0.0000639700000000, 0.0000503700000000, -0.0000237000000000 ] - [ 0.0000613200000000, -0.0001166600000000, 0.0001285100000000 ] - [ 0.0000598600000000, -0.0001150000000000, 0.0001273700000000 ] - [ 0.0000113800000000, 0.0001146700000000, 0.0001256800000000 ] - [ -0.0000113100000000, 0.0001143800000000, 0.0001254800000000 ] - [ 0.0001670000000000, -0.0001180400000000, -0.0001253300000000 ] - [ 0.0000074500000000, -0.0001153100000000, -0.0001264300000000 ] - [ 0.0000703000000000, 0.0001145300000000, -0.0001296200000000 ] - [ -0.0000014500000000, 0.0001146800000000, -0.0001262200000000 ] - [ 0.0001178100000000, 0.0002557600000000, -0.0001446400000000 ] - [ 0.0000087700000000, 0.0002538500000000, -0.0001466700000000 ] - [ 0.0000504200000000, -0.0002544400000000, -0.0001462900000000 ] - [ 0.0000029000000000, -0.0002567400000000, -0.0001459700000000 ] - [ 0.0000090200000000, 0.0002561000000000, 0.0001456200000000 ] - [ 0.0000905500000000, 0.0002571200000000, 0.0001474300000000 ] - [ -0.0000143900000000, -0.0002554000000000, 0.0001464600000000 ] - [ 0.0000746700000000, -0.0002546800000000, 0.0001459900000000 ] - [ 0.0003948800000000, 0.0000794500000000, 0.0000180300000000 ] - [ 0.0000493700000000, -0.0000044000000000, 0.0000007700000000 ] - [ 0.0427495100000000, 0.0181621900000000, -0.0378075900000000 ] - [ -0.0000429700000000, -0.0000230200000000, 0.0000152300000000 ] - [ 0.0002997400000000, -0.0000796100000000, -0.0000151200000000 ] - [ -0.0000499200000000, 0.0000039900000000, -0.0000009600000000 ] - [ 0.0438093300000000, -0.0185636200000000, 0.0386523500000000 ] - [ 0.0000568800000000, 0.0000230600000000, -0.0000145000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0001864300000000, -0.0000710500000000 ] - [ 0.0000000000000000, 0.0013972100000000, 0.0015156500000000 ] - [ 0.0000000000000000, -0.0001132000000000, 0.0001470000000000 ] - [ 0.0000000000000000, -0.0001176400000000, 0.0009391000000000 ] - [ 0.0000000000000000, 0.0142149800000000, -0.0081791100000000 ] - [ 0.0000000000000000, -0.0001595900000000, 0.0001250300000000 ] - [ 0.0000000000000000, 0.0013074600000000, 0.0011855200000000 ] - [ 0.0000000000000000, -0.0001118100000000, -0.0001527400000000 ] - [ 0.0000988000000000, -0.0000192200000000, 0.0000219900000000 ] - [ 0.0002730600000000, -0.0000380800000000, -0.0000118300000000 ] - [ -0.0002752500000000, -0.0000277200000000, 0.0000152900000000 ] - [ -0.0002206100000000, -0.0000187600000000, 0.0000210800000000 ] - [ -0.0000988000000000, -0.0000192200000000, 0.0000219900000000 ] - [ -0.0002730600000000, -0.0000380800000000, -0.0000118300000000 ] - [ 0.0002752500000000, -0.0000277200000000, 0.0000152900000000 ] - [ 0.0002206100000000, -0.0000187600000000, 0.0000210800000000 ] - [ -0.0212756100000000, 0.0265292300000000, 0.0131168600000000 ] - [ -0.0002508400000000, 0.0001954800000000, 0.0001805900000000 ] - [ 0.0002304700000000, -0.0003317300000000, 0.0001602900000000 ] - [ 0.0002962600000000, -0.0003081600000000, 0.0001286600000000 ] - [ 0.0002697300000000, 0.0002205700000000, -0.0001508300000000 ] - [ 0.0001367100000000, 0.0001313000000000, -0.0000596300000000 ] - [ -0.0003013400000000, -0.0002717700000000, -0.0001489200000000 ] - [ 0.0002936900000000, 0.0019222600000000, -0.0023590200000000 ] - [ 0.0001961400000000, -0.0002047700000000, 0.0001745800000000 ] - [ 0.0002080200000000, -0.0002169900000000, 0.0001910100000000 ] - [ -0.0004521400000000, 0.0001351400000000, 0.0005663200000000 ] - [ -0.0002100900000000, 0.0002002200000000, 0.0001990100000000 ] - [ -0.0002110400000000, -0.0002369100000000, -0.0001129700000000 ] - [ -0.0002496700000000, -0.0002365000000000, -0.0002249600000000 ] - [ 0.0002014300000000, 0.0001836400000000, -0.0002244900000000 ] - [ 0.0002134600000000, 0.0002059500000000, -0.0001907100000000 ] - [ -0.0002014300000000, 0.0001836400000000, -0.0002244900000000 ] - [ -0.0002134600000000, 0.0002059500000000, -0.0001907100000000 ] - [ 0.0002110400000000, -0.0002369100000000, -0.0001129700000000 ] - [ 0.0002496700000000, -0.0002365000000000, -0.0002249600000000 ] - [ 0.0004521400000000, 0.0001351400000000, 0.0005663200000000 ] - [ 0.0002100900000000, 0.0002002200000000, 0.0001990100000000 ] - [ -0.0001961400000000, -0.0002047700000000, 0.0001745800000000 ] - [ -0.0002080200000000, -0.0002169900000000, 0.0001910100000000 ] - [ 0.0212756100000000, 0.0265292300000000, 0.0131168600000000 ] - [ 0.0002508400000000, 0.0001954800000000, 0.0001805900000000 ] - [ -0.0002304700000000, -0.0003317300000000, 0.0001602900000000 ] - [ -0.0002962600000000, -0.0003081600000000, 0.0001286600000000 ] - [ -0.0002697300000000, 0.0002205700000000, -0.0001508300000000 ] - [ -0.0001367100000000, 0.0001313000000000, -0.0000596300000000 ] - [ 0.0003013400000000, -0.0002717700000000, -0.0001489200000000 ] - [ -0.0002936900000000, 0.0019222600000000, -0.0023590200000000 ] - [ 0.0000000000000000, 0.0001725200000000, 0.0002073100000000 ] - [ 0.0000000000000000, -0.0001161400000000, -0.0000808200000000 ] - [ 0.0000000000000000, 0.0002045100000000, -0.0001519900000000 ] - [ 0.0000000000000000, -0.0000760700000000, 0.0000930100000000 ] - [ 0.0000000000000000, -0.0001123400000000, 0.0000638900000000 ] - [ 0.0000000000000000, -0.0000295700000000, 0.0000090700000000 ] - [ 0.0000000000000000, -0.0000648000000000, -0.0000868300000000 ] - [ 0.0000000000000000, 0.0000130800000000, 0.0000039600000000 ] - [ 0.0002509800000000, 0.0001637100000000, -0.0002515000000000 ] - [ 0.0002240600000000, -0.0000435300000000, 0.0000092600000000 ] - [ 0.0000653300000000, -0.0004353600000000, 0.0006103600000000 ] - [ -0.0002014300000000, -0.0000278000000000, -0.0000062200000000 ] - [ -0.0002509800000000, 0.0001637100000000, -0.0002515000000000 ] - [ -0.0002240600000000, -0.0000435300000000, 0.0000092600000000 ] - [ -0.0000653300000000, -0.0004353600000000, 0.0006103600000000 ] - [ 0.0002014300000000, -0.0000278000000000, -0.0000062200000000 ] - [ -0.0002688300000000, 0.0002209500000000, 0.0001743500000000 ] - [ -0.0002822500000000, 0.0001867200000000, 0.0001644300000000 ] - [ 0.0002903000000000, -0.0002627500000000, 0.0001479800000000 ] - [ 0.0003005400000000, -0.0001998900000000, 0.0001614400000000 ] - [ 0.0003398900000000, 0.0003014200000000, -0.0001538700000000 ] - [ 0.0002580500000000, 0.0002075600000000, -0.0001816600000000 ] - [ -0.0002466500000000, -0.0003673900000000, -0.0000965800000000 ] - [ -0.0002900800000000, -0.0002623100000000, -0.0001501200000000 ] - [ 0.0003521300000000, -0.0000765900000000, 0.0017363100000000 ] - [ 0.0001849700000000, -0.0002136700000000, 0.0001675000000000 ] - [ -0.0002163800000000, 0.0001977400000000, 0.0001968900000000 ] - [ -0.0002258100000000, 0.0002895200000000, 0.0000285200000000 ] - [ -0.0001972800000000, -0.0001950700000000, -0.0002560100000000 ] - [ -0.0001913600000000, -0.0002097700000000, -0.0001709100000000 ] - [ 0.0002219900000000, 0.0001976200000000, -0.0002015800000000 ] - [ -0.0196211000000000, 0.0259907100000000, 0.0093560000000000 ] - [ -0.0002219900000000, 0.0001976200000000, -0.0002015800000000 ] - [ 0.0196211000000000, 0.0259907100000000, 0.0093560000000000 ] - [ 0.0001972800000000, -0.0001950700000000, -0.0002560100000000 ] - [ 0.0001913600000000, -0.0002097700000000, -0.0001709100000000 ] - [ 0.0002163800000000, 0.0001977400000000, 0.0001968900000000 ] - [ 0.0002258100000000, 0.0002895200000000, 0.0000285200000000 ] - [ -0.0003521300000000, -0.0000765900000000, 0.0017363100000000 ] - [ -0.0001849700000000, -0.0002136700000000, 0.0001675000000000 ] - [ 0.0002688300000000, 0.0002209500000000, 0.0001743500000000 ] - [ 0.0002822500000000, 0.0001867200000000, 0.0001644300000000 ] - [ -0.0002903000000000, -0.0002627500000000, 0.0001479800000000 ] - [ -0.0003005400000000, -0.0001998900000000, 0.0001614400000000 ] - [ -0.0003398900000000, 0.0003014200000000, -0.0001538700000000 ] - [ -0.0002580500000000, 0.0002075600000000, -0.0001816600000000 ] - [ 0.0002466500000000, -0.0003673900000000, -0.0000965800000000 ] - [ 0.0002900800000000, -0.0002623100000000, -0.0001501200000000 ] - [ 0.0000000000000000, -0.2439642900000000, -0.0044693800000000 ] - [ 0.0000000000000000, -0.0000501900000000, 0.0000426500000000 ] - [ 0.0000000000000000, 0.0003749300000000, -0.0001303900000000 ] - [ 0.0000000000000000, 0.0001163700000000, 0.0001417200000000 ] - [ 0.0000000000000000, 0.0003801500000000, -0.0000896900000000 ] - [ 0.0000000000000000, 0.0003736200000000, -0.0004403900000000 ] - [ 0.0000000000000000, 0.0001960700000000, -0.0002147400000000 ] - [ 0.0000000000000000, -0.0012778600000000, -0.0061097400000000 ] - [ 0.0000000000000000, 0.0004199400000000, -0.0000954100000000 ] - [ 0.0000000000000000, 0.0681360200000000, -0.0276101500000000 ] - [ 0.0000000000000000, -0.0004420100000000, -0.0000659900000000 ] - [ 0.0000000000000000, -0.0000818400000000, 0.0002370600000000 ] - [ 0.0000000000000000, 0.0010591900000000, -0.0021838400000000 ] - [ 0.0000000000000000, 0.0003743800000000, 0.0001605200000000 ] - [ 0.0000000000000000, 0.0180813100000000, 0.0280512000000000 ] - [ 0.0000000000000000, -0.0001247700000000, 0.0001748900000000 ] - [ 0.0002274800000000, 0.0002514900000000, -0.0002325400000000 ] - [ -0.0000123000000000, 0.0002433400000000, 0.0000968000000000 ] - [ 0.0001726800000000, 0.0001236600000000, -0.0000062300000000 ] - [ -0.0000617300000000, 0.0000861900000000, -0.0000070900000000 ] - [ -0.0002274800000000, 0.0002514900000000, -0.0002325400000000 ] - [ 0.0000123000000000, 0.0002433400000000, 0.0000968000000000 ] - [ -0.0001726800000000, 0.0001236600000000, -0.0000062300000000 ] - [ 0.0000617300000000, 0.0000861900000000, -0.0000070900000000 ] - [ 0.0000000000000000, -0.0000362100000000, 0.0001450200000000 ] - [ 0.0000000000000000, -0.0000373400000000, 0.0001626700000000 ] - [ 0.0000000000000000, 0.0001713700000000, 0.0001696500000000 ] - [ 0.0000000000000000, 0.0001029700000000, 0.0000932900000000 ] - [ 0.0000000000000000, -0.0007252300000000, -0.0001903000000000 ] - [ 0.0000000000000000, -0.0000571200000000, -0.0000837700000000 ] - [ 0.0000000000000000, 0.0002558600000000, 0.0000475200000000 ] - [ 0.0000000000000000, 0.0001509500000000, -0.0001627900000000 ] - [ 0.0000000000000000, 0.0000920100000000, -0.0002712900000000 ] - [ 0.0000000000000000, 0.0003470800000000, -0.0001414000000000 ] - [ 0.0000000000000000, -0.0004852600000000, -0.0001896600000000 ] - [ 0.0000000000000000, -0.0001528700000000, -0.0001580300000000 ] - [ 0.0000000000000000, 0.0003452100000000, 0.0001354200000000 ] - [ 0.0000000000000000, 0.0004880000000000, 0.0004491700000000 ] - [ 0.0000000000000000, -0.0002184400000000, 0.0001394500000000 ] - [ 0.0000000000000000, -0.0002496700000000, 0.0000390600000000 ] - [ 0.0001139600000000, 0.0000277400000000, 0.0001342900000000 ] - [ 0.0000403700000000, 0.0000425900000000, -0.0000039900000000 ] - [ 0.0114405600000000, 0.0160020800000000, -0.0141495100000000 ] - [ -0.0000611100000000, 0.0000556600000000, 0.0000167000000000 ] - [ -0.0001139600000000, 0.0000277400000000, 0.0001342900000000 ] - [ -0.0000403700000000, 0.0000425900000000, -0.0000039900000000 ] - [ -0.0114405600000000, 0.0160020800000000, -0.0141495100000000 ] - [ 0.0000611100000000, 0.0000556600000000, 0.0000167000000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0001464900000000, 0.0000920300000000 ] - [ 0.0000000000000000, -0.0014647600000000, -0.0015284400000000 ] - [ 0.0000000000000000, 0.0001571000000000, -0.0001311500000000 ] - [ 0.0000000000000000, 0.0001673400000000, -0.0009331700000000 ] - [ 0.0000000000000000, -0.0140674700000000, 0.0079248500000000 ] - [ 0.0000000000000000, 0.0001196300000000, -0.0001431000000000 ] - [ 0.0000000000000000, -0.0012730800000000, -0.0012053800000000 ] - [ 0.0000000000000000, 0.0001547400000000, 0.0001373800000000 ] - [ 0.0003341800000000, 0.0000192500000000, -0.0000218200000000 ] - [ 0.0001578400000000, 0.0000383600000000, 0.0000117400000000 ] - [ -0.0001460500000000, 0.0000352600000000, -0.0000139300000000 ] - [ -0.0002113900000000, 0.0000197500000000, -0.0000203100000000 ] - [ -0.0003341800000000, 0.0000192500000000, -0.0000218200000000 ] - [ -0.0001578400000000, 0.0000383600000000, 0.0000117400000000 ] - [ 0.0001460500000000, 0.0000352600000000, -0.0000139300000000 ] - [ 0.0002113900000000, 0.0000197500000000, -0.0000203100000000 ] - [ 0.0198238900000000, -0.0253611200000000, -0.0122436200000000 ] - [ -0.0003000300000000, 0.0002752500000000, 0.0001487400000000 ] - [ 0.0003230100000000, -0.0001329700000000, 0.0001690800000000 ] - [ 0.0002536000000000, -0.0001621000000000, 0.0002011400000000 ] - [ 0.0002818800000000, 0.0002508900000000, -0.0001782600000000 ] - [ 0.0004122400000000, 0.0003389300000000, -0.0002691500000000 ] - [ -0.0002487000000000, -0.0001979600000000, -0.0001805700000000 ] - [ -0.0008838300000000, -0.0024091400000000, 0.0020732900000000 ] - [ 0.0002104800000000, -0.0002050000000000, 0.0001946000000000 ] - [ 0.0001989400000000, -0.0001927000000000, 0.0001784100000000 ] - [ 0.0000414400000000, 0.0002708400000000, -0.0001921000000000 ] - [ -0.0001967300000000, 0.0002090600000000, 0.0001696100000000 ] - [ -0.0001959600000000, -0.0001727600000000, -0.0002560600000000 ] - [ -0.0001585400000000, -0.0001727400000000, -0.0001460100000000 ] - [ 0.0002057300000000, 0.0002258800000000, -0.0001443300000000 ] - [ 0.0001929500000000, 0.0002032200000000, -0.0001776700000000 ] - [ -0.0002057300000000, 0.0002258800000000, -0.0001443300000000 ] - [ -0.0001929500000000, 0.0002032200000000, -0.0001776700000000 ] - [ 0.0001959600000000, -0.0001727600000000, -0.0002560600000000 ] - [ 0.0001585400000000, -0.0001727400000000, -0.0001460100000000 ] - [ -0.0000414400000000, 0.0002708400000000, -0.0001921000000000 ] - [ 0.0001967300000000, 0.0002090600000000, 0.0001696100000000 ] - [ -0.0002104800000000, -0.0002050000000000, 0.0001946000000000 ] - [ -0.0001989400000000, -0.0001927000000000, 0.0001784100000000 ] - [ -0.0198238900000000, -0.0253611200000000, -0.0122436200000000 ] - [ 0.0003000300000000, 0.0002752500000000, 0.0001487400000000 ] - [ -0.0003230100000000, -0.0001329700000000, 0.0001690800000000 ] - [ -0.0002536000000000, -0.0001621000000000, 0.0002011400000000 ] - [ -0.0002818800000000, 0.0002508900000000, -0.0001782600000000 ] - [ -0.0004122400000000, 0.0003389300000000, -0.0002691500000000 ] - [ 0.0002487000000000, -0.0001979600000000, -0.0001805700000000 ] - [ 0.0008838300000000, -0.0024091400000000, 0.0020732900000000 ] - [ 0.0000000000000000, -0.0002192000000000, -0.0001932500000000 ] - [ 0.0000000000000000, 0.0000767800000000, 0.0000995900000000 ] - [ 0.0000000000000000, -0.0001661500000000, 0.0001721200000000 ] - [ 0.0000000000000000, 0.0001195200000000, -0.0000776100000000 ] - [ 0.0000000000000000, 0.0000712200000000, -0.0000809700000000 ] - [ 0.0000000000000000, -0.0000112200000000, -0.0000270200000000 ] - [ 0.0000000000000000, 0.0001068500000000, 0.0000706600000000 ] - [ 0.0000000000000000, 0.0000298700000000, -0.0000204100000000 ] - [ 0.0001878100000000, -0.0001654000000000, 0.0002584800000000 ] - [ 0.0002061400000000, 0.0000438700000000, -0.0000091400000000 ] - [ -0.0004556400000000, 0.0004449500000000, -0.0006015800000000 ] - [ -0.0002302200000000, 0.0000280500000000, 0.0000063300000000 ] - [ -0.0001878100000000, -0.0001654000000000, 0.0002584800000000 ] - [ -0.0002061400000000, 0.0000438700000000, -0.0000091400000000 ] - [ 0.0004556400000000, 0.0004449500000000, -0.0006015800000000 ] - [ 0.0002302200000000, 0.0000280500000000, 0.0000063300000000 ] - [ -0.0002810000000000, 0.0002488700000000, 0.0001550200000000 ] - [ -0.0002690400000000, 0.0002830200000000, 0.0001641300000000 ] - [ 0.0002597400000000, -0.0002072400000000, 0.0001818500000000 ] - [ 0.0002494900000000, -0.0002704800000000, 0.0001682400000000 ] - [ 0.0002098300000000, 0.0001681600000000, -0.0001757800000000 ] - [ 0.0002924900000000, 0.0002629200000000, -0.0001474400000000 ] - [ -0.0003047200000000, -0.0001013900000000, -0.0002323400000000 ] - [ -0.0002598100000000, -0.0002074200000000, -0.0001795500000000 ] - [ 0.0000487500000000, -0.0003479900000000, -0.0013605100000000 ] - [ 0.0002220400000000, -0.0001956500000000, 0.0002017100000000 ] - [ -0.0001902500000000, 0.0002112800000000, 0.0001721000000000 ] - [ -0.0001831300000000, 0.0001183300000000, 0.0003398800000000 ] - [ -0.0002098600000000, -0.0002140900000000, -0.0001120500000000 ] - [ -0.0002157700000000, -0.0001994900000000, -0.0001982300000000 ] - [ 0.0001849800000000, 0.0002114500000000, -0.0001671200000000 ] - [ 0.0211212500000000, -0.0265140100000000, -0.0101616900000000 ] - [ -0.0001849800000000, 0.0002114500000000, -0.0001671200000000 ] - [ -0.0211212500000000, -0.0265140100000000, -0.0101616900000000 ] - [ 0.0002098600000000, -0.0002140900000000, -0.0001120500000000 ] - [ 0.0002157700000000, -0.0001994900000000, -0.0001982300000000 ] - [ 0.0001902500000000, 0.0002112800000000, 0.0001721000000000 ] - [ 0.0001831300000000, 0.0001183300000000, 0.0003398800000000 ] - [ -0.0000487500000000, -0.0003479900000000, -0.0013605100000000 ] - [ -0.0002220400000000, -0.0001956500000000, 0.0002017100000000 ] - [ 0.0002810000000000, 0.0002488700000000, 0.0001550200000000 ] - [ 0.0002690400000000, 0.0002830200000000, 0.0001641300000000 ] - [ -0.0002597400000000, -0.0002072400000000, 0.0001818500000000 ] - [ -0.0002494900000000, -0.0002704800000000, 0.0001682400000000 ] - [ -0.0002098300000000, 0.0001681600000000, -0.0001757800000000 ] - [ -0.0002924900000000, 0.0002629200000000, -0.0001474400000000 ] - [ 0.0003047200000000, -0.0001013900000000, -0.0002323400000000 ] - [ 0.0002598100000000, -0.0002074200000000, -0.0001795500000000 ] - [ 0.0000000000000000, 0.2461479100000000, 0.0035152300000000 ] - [ 0.0000000000000000, -0.0001829100000000, 0.0002131700000000 ] - [ 0.0000000000000000, -0.0001403800000000, 0.0003815200000000 ] - [ 0.0000000000000000, 0.0001117300000000, 0.0001108100000000 ] - [ 0.0000000000000000, -0.0006005500000000, -0.0001586600000000 ] - [ 0.0000000000000000, -0.0006095700000000, 0.0001898600000000 ] - [ 0.0000000000000000, 0.0000340300000000, -0.0000368200000000 ] - [ 0.0000000000000000, 0.0015519500000000, 0.0059928500000000 ] - [ 0.0000000000000000, 0.0000866400000000, -0.0001971600000000 ] - [ 0.0000000000000000, -0.0699436700000000, 0.0280646100000000 ] - [ 0.0000000000000000, -0.0000724800000000, -0.0002285100000000 ] - [ 0.0000000000000000, -0.0004356500000000, -0.0005271400000000 ] - [ 0.0000000000000000, -0.0005852700000000, 0.0023911500000000 ] - [ 0.0000000000000000, 0.0001339500000000, 0.0001316000000000 ] - [ 0.0000000000000000, -0.0184780100000000, -0.0275496000000000 ] - [ 0.0000000000000000, -0.0003860500000000, 0.0001183700000000 ] - [ -0.0001295300000000, -0.0002506000000000, 0.0002342900000000 ] - [ 0.0001108200000000, -0.0002427700000000, -0.0000967800000000 ] - [ -0.0002815000000000, -0.0001207000000000, 0.0000069500000000 ] - [ -0.0000381600000000, -0.0000876700000000, 0.0000076500000000 ] - [ 0.0001295300000000, -0.0002506000000000, 0.0002342900000000 ] - [ -0.0001108200000000, -0.0002427700000000, -0.0000967800000000 ] - [ 0.0002815000000000, -0.0001207000000000, 0.0000069500000000 ] - [ 0.0000381600000000, -0.0000876700000000, 0.0000076500000000 ] - [ 0.0000000000000000, -0.0001958000000000, 0.0001109800000000 ] - [ 0.0000000000000000, -0.0001953800000000, 0.0000935900000000 ] - [ 0.0000000000000000, 0.0000576500000000, 0.0000824900000000 ] - [ 0.0000000000000000, 0.0001247300000000, 0.0001586800000000 ] - [ 0.0000000000000000, 0.0004972200000000, -0.0000611700000000 ] - [ 0.0000000000000000, -0.0001739600000000, -0.0001696300000000 ] - [ 0.0000000000000000, -0.0000254800000000, -0.0003042500000000 ] - [ 0.0000000000000000, 0.0000785200000000, -0.0000909900000000 ] - [ 0.0000000000000000, 0.0004245000000000, -0.0000183200000000 ] - [ 0.0000000000000000, 0.0001579000000000, -0.0001534900000000 ] - [ 0.0000000000000000, -0.0000192600000000, -0.0001018800000000 ] - [ 0.0000000000000000, -0.0003585500000000, -0.0001337300000000 ] - [ 0.0000000000000000, 0.0001634200000000, 0.0001574500000000 ] - [ 0.0000000000000000, 0.0000190900000000, -0.0001586000000000 ] - [ 0.0000000000000000, -0.0002956700000000, 0.0001517100000000 ] - [ 0.0000000000000000, -0.0002608400000000, 0.0002545600000000 ] - [ -0.0000184900000000, -0.0000271300000000, -0.0001327900000000 ] - [ 0.0000610700000000, -0.0000431600000000, 0.0000043700000000 ] - [ -0.0116866700000000, -0.0159380400000000, 0.0141949700000000 ] - [ -0.0000379600000000, -0.0000565900000000, -0.0000161400000000 ] - [ 0.0000184900000000, -0.0000271300000000, -0.0001327900000000 ] - [ -0.0000610700000000, -0.0000431600000000, 0.0000043700000000 ] - [ 0.0116866700000000, -0.0159380400000000, 0.0141949700000000 ] - [ 0.0000379600000000, -0.0000565900000000, -0.0000161400000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0002134800000000, 0.0005193100000000 ] - [ 0.0000000000000000, 0.0007213900000000, -0.0005990500000000 ] - [ 0.0000000000000000, 0.0003577500000000, -0.0002654700000000 ] - [ 0.0000000000000000, 0.0014839000000000, -0.0017846000000000 ] - [ 0.0000000000000000, -0.0042967500000000, 0.0350255400000000 ] - [ 0.0000000000000000, 0.0001519800000000, -0.0001751800000000 ] - [ 0.0000000000000000, 0.0009581800000000, -0.0014048400000000 ] - [ 0.0000000000000000, 0.0001760400000000, 0.0001730500000000 ] - [ 0.0007537100000000, -0.0000500200000000, 0.0000638500000000 ] - [ 0.0000735700000000, -0.0000093600000000, 0.0000002200000000 ] - [ -0.0004349900000000, -0.0003888600000000, -0.0001497500000000 ] - [ -0.0003420000000000, 0.0000730500000000, 0.0000252900000000 ] - [ -0.0007537100000000, -0.0000500200000000, 0.0000638500000000 ] - [ -0.0000735700000000, -0.0000093600000000, 0.0000002200000000 ] - [ 0.0004349900000000, -0.0003888600000000, -0.0001497500000000 ] - [ 0.0003420000000000, 0.0000730500000000, 0.0000252900000000 ] - [ -0.0108851700000000, 0.0114151500000000, 0.0103088900000000 ] - [ -0.0003110600000000, 0.0002801100000000, 0.0001487900000000 ] - [ 0.0002364500000000, 0.0000661200000000, 0.0001275800000000 ] - [ 0.0002339700000000, -0.0001666700000000, 0.0001875800000000 ] - [ 0.0003738000000000, 0.0004212300000000, -0.0001093400000000 ] - [ 0.0002576700000000, 0.0004027200000000, -0.0001595400000000 ] - [ -0.0002452400000000, -0.0001624500000000, -0.0001495600000000 ] - [ -0.0005338700000000, -0.0003464700000000, 0.0003925200000000 ] - [ 0.0001869100000000, -0.0002388900000000, 0.0001815300000000 ] - [ 0.0002061900000000, -0.0001953900000000, 0.0001863900000000 ] - [ -0.0003595600000000, 0.0005430700000000, 0.0000757300000000 ] - [ -0.0001651000000000, 0.0002246500000000, 0.0001615600000000 ] - [ -0.0003415000000000, -0.0001276200000000, -0.0003094600000000 ] - [ -0.0001961300000000, -0.0001938900000000, -0.0001727500000000 ] - [ 0.0002033200000000, 0.0002193900000000, -0.0002421200000000 ] - [ 0.0001950800000000, 0.0002038300000000, -0.0001746100000000 ] - [ -0.0002033200000000, 0.0002193900000000, -0.0002421200000000 ] - [ -0.0001950800000000, 0.0002038300000000, -0.0001746100000000 ] - [ 0.0003415000000000, -0.0001276200000000, -0.0003094600000000 ] - [ 0.0001961300000000, -0.0001938900000000, -0.0001727500000000 ] - [ 0.0003595600000000, 0.0005430700000000, 0.0000757300000000 ] - [ 0.0001651000000000, 0.0002246500000000, 0.0001615600000000 ] - [ -0.0001869100000000, -0.0002388900000000, 0.0001815300000000 ] - [ -0.0002061900000000, -0.0001953900000000, 0.0001863900000000 ] - [ 0.0108851700000000, 0.0114151500000000, 0.0103088900000000 ] - [ 0.0003110600000000, 0.0002801100000000, 0.0001487900000000 ] - [ -0.0002364500000000, 0.0000661200000000, 0.0001275800000000 ] - [ -0.0002339700000000, -0.0001666700000000, 0.0001875800000000 ] - [ -0.0003738000000000, 0.0004212300000000, -0.0001093400000000 ] - [ -0.0002576700000000, 0.0004027200000000, -0.0001595400000000 ] - [ 0.0002452400000000, -0.0001624500000000, -0.0001495600000000 ] - [ 0.0005338700000000, -0.0003464700000000, 0.0003925200000000 ] - [ 0.0000000000000000, 0.0000329000000000, 0.0000933000000000 ] - [ 0.0000000000000000, 0.0000495600000000, 0.0000722000000000 ] - [ 0.0000000000000000, 0.0000595500000000, -0.0000844500000000 ] - [ 0.0000000000000000, 0.0000944500000000, -0.0000496000000000 ] - [ 0.0000000000000000, -0.0000374500000000, 0.0000637200000000 ] - [ 0.0000000000000000, -0.0001156000000000, 0.0000657300000000 ] - [ 0.0000000000000000, -0.0000215200000000, -0.0000433200000000 ] - [ 0.0000000000000000, -0.0000033800000000, -0.0001505600000000 ] - [ -0.0003705800000000, -0.0001822200000000, 0.0000305100000000 ] - [ 0.0001434100000000, 0.0000719600000000, -0.0000149900000000 ] - [ -0.0005012800000000, 0.0005795100000000, -0.0015253000000000 ] - [ -0.0002795500000000, 0.0000057400000000, 0.0000035400000000 ] - [ 0.0003705800000000, -0.0001822200000000, 0.0000305100000000 ] - [ -0.0001434100000000, 0.0000719600000000, -0.0000149900000000 ] - [ 0.0005012800000000, 0.0005795100000000, -0.0015253000000000 ] - [ 0.0002795500000000, 0.0000057400000000, 0.0000035400000000 ] - [ -0.0002899500000000, 0.0001979500000000, 0.0001837100000000 ] - [ -0.0002899700000000, 0.0002139500000000, 0.0001235200000000 ] - [ 0.0002687700000000, -0.0002265400000000, 0.0001980400000000 ] - [ 0.0002646600000000, -0.0002672400000000, 0.0001494400000000 ] - [ 0.0002790000000000, 0.0002384100000000, -0.0002130000000000 ] - [ 0.0002822700000000, 0.0002560100000000, -0.0001480900000000 ] - [ -0.0002815000000000, -0.0002856800000000, -0.0000730500000000 ] - [ -0.0002701600000000, -0.0002240800000000, -0.0001776500000000 ] - [ 0.0007860400000000, -0.0008343600000000, 0.0025938400000000 ] - [ 0.0002198200000000, -0.0001962500000000, 0.0002037600000000 ] - [ -0.0002004700000000, 0.0002134000000000, 0.0001777900000000 ] - [ -0.0002294700000000, 0.0001836300000000, 0.0001868300000000 ] - [ -0.0001984700000000, -0.0001692800000000, -0.0001515100000000 ] - [ -0.0002135700000000, -0.0002006900000000, -0.0001956200000000 ] - [ 0.0001712700000000, 0.0002088200000000, -0.0001561300000000 ] - [ -0.0094300600000000, 0.0116328000000000, 0.0070539800000000 ] - [ -0.0001712700000000, 0.0002088200000000, -0.0001561300000000 ] - [ 0.0094300600000000, 0.0116328000000000, 0.0070539800000000 ] - [ 0.0001984700000000, -0.0001692800000000, -0.0001515100000000 ] - [ 0.0002135700000000, -0.0002006900000000, -0.0001956200000000 ] - [ 0.0002004700000000, 0.0002134000000000, 0.0001777900000000 ] - [ 0.0002294700000000, 0.0001836300000000, 0.0001868300000000 ] - [ -0.0007860400000000, -0.0008343600000000, 0.0025938400000000 ] - [ -0.0002198200000000, -0.0001962500000000, 0.0002037600000000 ] - [ 0.0002899500000000, 0.0001979500000000, 0.0001837100000000 ] - [ 0.0002899700000000, 0.0002139500000000, 0.0001235200000000 ] - [ -0.0002687700000000, -0.0002265400000000, 0.0001980400000000 ] - [ -0.0002646600000000, -0.0002672400000000, 0.0001494400000000 ] - [ -0.0002790000000000, 0.0002384100000000, -0.0002130000000000 ] - [ -0.0002822700000000, 0.0002560100000000, -0.0001480900000000 ] - [ 0.0002815000000000, -0.0002856800000000, -0.0000730500000000 ] - [ 0.0002701600000000, -0.0002240800000000, -0.0001776500000000 ] - [ 0.0000000000000000, -0.0044642100000000, -0.2457616600000000 ] - [ 0.0000000000000000, -0.0002012800000000, 0.0002436300000000 ] - [ 0.0000000000000000, 0.0003748600000000, 0.0012507700000000 ] - [ 0.0000000000000000, 0.0001003700000000, 0.0000598400000000 ] - [ 0.0000000000000000, 0.0002045400000000, -0.0003445200000000 ] - [ 0.0000000000000000, -0.0001499200000000, -0.0003446000000000 ] - [ 0.0000000000000000, 0.0000273500000000, 0.0001084200000000 ] - [ 0.0000000000000000, -0.0060150200000000, 0.0090769700000000 ] - [ 0.0000000000000000, 0.0000275500000000, -0.0002472900000000 ] - [ 0.0000000000000000, -0.0131276600000000, 0.0183620100000000 ] - [ 0.0000000000000000, -0.0009727500000000, 0.0001851200000000 ] - [ 0.0000000000000000, -0.0007292300000000, -0.0004798100000000 ] - [ 0.0000000000000000, -0.0061449600000000, 0.0009764100000000 ] - [ 0.0000000000000000, 0.0000306500000000, 0.0002077400000000 ] - [ 0.0000000000000000, 0.0138951800000000, 0.0708143400000000 ] - [ 0.0000000000000000, -0.0004314100000000, 0.0001021700000000 ] - [ -0.0004496800000000, 0.0001371100000000, -0.0002817000000000 ] - [ 0.0002457300000000, -0.0000749600000000, 0.0000701700000000 ] - [ 0.0001978600000000, 0.0000307400000000, -0.0000490700000000 ] - [ 0.0000580200000000, 0.0000047600000000, 0.0000245400000000 ] - [ 0.0004496800000000, 0.0001371100000000, -0.0002817000000000 ] - [ -0.0002457300000000, -0.0000749600000000, 0.0000701700000000 ] - [ -0.0001978600000000, 0.0000307400000000, -0.0000490700000000 ] - [ -0.0000580200000000, 0.0000047600000000, 0.0000245400000000 ] - [ 0.0000000000000000, -0.0000822900000000, 0.0000758300000000 ] - [ 0.0000000000000000, -0.0000982500000000, 0.0000751400000000 ] - [ 0.0000000000000000, 0.0000718000000000, 0.0001885800000000 ] - [ 0.0000000000000000, 0.0001489000000000, 0.0002865300000000 ] - [ 0.0000000000000000, -0.0000530100000000, -0.0002287900000000 ] - [ 0.0000000000000000, -0.0001597600000000, -0.0001456300000000 ] - [ 0.0000000000000000, 0.0002900000000000, 0.0000770600000000 ] - [ 0.0000000000000000, 0.0000805000000000, -0.0001041300000000 ] - [ 0.0000000000000000, 0.0003225500000000, -0.0002788000000000 ] - [ 0.0000000000000000, 0.0001881200000000, -0.0001484100000000 ] - [ 0.0000000000000000, -0.0001871700000000, -0.0000595100000000 ] - [ 0.0000000000000000, -0.0003259800000000, -0.0001434800000000 ] - [ 0.0000000000000000, 0.0002291400000000, 0.0001195600000000 ] - [ 0.0000000000000000, 0.0003330900000000, 0.0001094000000000 ] - [ 0.0000000000000000, -0.0002851600000000, 0.0001926700000000 ] - [ 0.0000000000000000, -0.0002774100000000, 0.0001086500000000 ] - [ 0.0004824600000000, -0.0000871300000000, -0.0001153100000000 ] - [ 0.0001155800000000, -0.0000329200000000, -0.0000194900000000 ] - [ -0.0247279500000000, -0.0143293000000000, 0.0388862400000000 ] - [ 0.0000064700000000, -0.0000556400000000, -0.0000527700000000 ] - [ -0.0004824600000000, -0.0000871300000000, -0.0001153100000000 ] - [ -0.0001155800000000, -0.0000329200000000, -0.0000194900000000 ] - [ 0.0247279500000000, -0.0143293000000000, 0.0388862400000000 ] - [ -0.0000064700000000, -0.0000556400000000, -0.0000527700000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0002567000000000, -0.0005023600000000 ] - [ 0.0000000000000000, -0.0007481300000000, 0.0005759400000000 ] - [ 0.0000000000000000, -0.0003152500000000, 0.0002835200000000 ] - [ 0.0000000000000000, -0.0013953300000000, 0.0017421000000000 ] - [ 0.0000000000000000, 0.0049398300000000, -0.0367323500000000 ] - [ 0.0000000000000000, -0.0001939800000000, 0.0001584900000000 ] - [ 0.0000000000000000, -0.0008567100000000, 0.0013603900000000 ] - [ 0.0000000000000000, -0.0001335700000000, -0.0001897400000000 ] - [ -0.0003230900000000, 0.0000502800000000, -0.0000634500000000 ] - [ 0.0003585200000000, 0.0000094800000000, 0.0000004400000000 ] - [ 0.0000052500000000, 0.0003938600000000, 0.0001491700000000 ] - [ -0.0000909400000000, -0.0000719200000000, -0.0000246200000000 ] - [ 0.0003230900000000, 0.0000502800000000, -0.0000634500000000 ] - [ -0.0003585200000000, 0.0000094800000000, 0.0000004400000000 ] - [ -0.0000052500000000, 0.0003938600000000, 0.0001491700000000 ] - [ 0.0000909400000000, -0.0000719200000000, -0.0000246200000000 ] - [ 0.0099533800000000, -0.0106022400000000, -0.0099146700000000 ] - [ -0.0002388400000000, 0.0001909600000000, 0.0001806700000000 ] - [ 0.0003187700000000, -0.0005349900000000, 0.0001997900000000 ] - [ 0.0003156500000000, -0.0003046400000000, 0.0001418200000000 ] - [ 0.0001760600000000, 0.0000500800000000, -0.0002197200000000 ] - [ 0.0002885000000000, 0.0000717100000000, -0.0001667400000000 ] - [ -0.0003048700000000, -0.0003085100000000, -0.0001792800000000 ] - [ -0.0000171500000000, -0.0001463600000000, -0.0007116800000000 ] - [ 0.0002199300000000, -0.0001702500000000, 0.0001887400000000 ] - [ 0.0002002000000000, -0.0002133700000000, 0.0001837500000000 ] - [ -0.0000500500000000, -0.0001384500000000, 0.0003000700000000 ] - [ -0.0002411600000000, 0.0001846000000000, 0.0002080000000000 ] - [ -0.0000655300000000, -0.0002818300000000, -0.0000587100000000 ] - [ -0.0002112200000000, -0.0002145300000000, -0.0001981000000000 ] - [ 0.0002031200000000, 0.0001894100000000, -0.0001270500000000 ] - [ 0.0002112600000000, 0.0002053100000000, -0.0001948100000000 ] - [ -0.0002031200000000, 0.0001894100000000, -0.0001270500000000 ] - [ -0.0002112600000000, 0.0002053100000000, -0.0001948100000000 ] - [ 0.0000655300000000, -0.0002818300000000, -0.0000587100000000 ] - [ 0.0002112200000000, -0.0002145300000000, -0.0001981000000000 ] - [ 0.0000500500000000, -0.0001384500000000, 0.0003000700000000 ] - [ 0.0002411600000000, 0.0001846000000000, 0.0002080000000000 ] - [ -0.0002199300000000, -0.0001702500000000, 0.0001887400000000 ] - [ -0.0002002000000000, -0.0002133700000000, 0.0001837500000000 ] - [ -0.0099533800000000, -0.0106022400000000, -0.0099146700000000 ] - [ 0.0002388400000000, 0.0001909600000000, 0.0001806700000000 ] - [ -0.0003187700000000, -0.0005349900000000, 0.0001997900000000 ] - [ -0.0003156500000000, -0.0003046400000000, 0.0001418200000000 ] - [ -0.0001760600000000, 0.0000500800000000, -0.0002197200000000 ] - [ -0.0002885000000000, 0.0000717100000000, -0.0001667400000000 ] - [ 0.0003048700000000, -0.0003085100000000, -0.0001792800000000 ] - [ 0.0000171500000000, -0.0001463600000000, -0.0007116800000000 ] - [ 0.0000000000000000, -0.0000743900000000, -0.0000758000000000 ] - [ 0.0000000000000000, -0.0000912200000000, -0.0000541900000000 ] - [ 0.0000000000000000, -0.0000173200000000, 0.0001029900000000 ] - [ 0.0000000000000000, -0.0000512600000000, 0.0000672300000000 ] - [ 0.0000000000000000, -0.0000049600000000, -0.0000818700000000 ] - [ 0.0000000000000000, 0.0000729100000000, -0.0000824600000000 ] - [ 0.0000000000000000, 0.0000641800000000, 0.0000268800000000 ] - [ 0.0000000000000000, 0.0000459400000000, 0.0001322200000000 ] - [ 0.0008125300000000, 0.0001831000000000, -0.0000285900000000 ] - [ 0.0002893700000000, -0.0000720000000000, 0.0000153900000000 ] - [ 0.0000575100000000, -0.0005726800000000, 0.0014801900000000 ] - [ -0.0001530600000000, -0.0000055900000000, -0.0000032800000000 ] - [ -0.0008125300000000, 0.0001831000000000, -0.0000285900000000 ] - [ -0.0002893700000000, -0.0000720000000000, 0.0000153900000000 ] - [ -0.0000575100000000, -0.0005726800000000, 0.0014801900000000 ] - [ 0.0001530600000000, -0.0000055900000000, -0.0000032800000000 ] - [ -0.0002602900000000, 0.0002736500000000, 0.0001452500000000 ] - [ -0.0002599900000000, 0.0002568200000000, 0.0002060200000000 ] - [ 0.0002809300000000, -0.0002444200000000, 0.0001314900000000 ] - [ 0.0002853900000000, -0.0002030900000000, 0.0001798300000000 ] - [ 0.0002712600000000, 0.0002323700000000, -0.0001157200000000 ] - [ 0.0002676700000000, 0.0002152100000000, -0.0001805800000000 ] - [ -0.0002688400000000, -0.0001836700000000, -0.0002565100000000 ] - [ -0.0002796700000000, -0.0002468900000000, -0.0001515900000000 ] - [ -0.0003349200000000, 0.0004233600000000, -0.0021707900000000 ] - [ 0.0001865500000000, -0.0002128700000000, 0.0001659900000000 ] - [ -0.0002059000000000, 0.0001955000000000, 0.0001925600000000 ] - [ -0.0001772500000000, 0.0002267900000000, 0.0001801700000000 ] - [ -0.0002079800000000, -0.0002397400000000, -0.0002191000000000 ] - [ -0.0001929100000000, -0.0002083200000000, -0.0001739100000000 ] - [ 0.0002357300000000, 0.0002003200000000, -0.0002136500000000 ] - [ 0.0100242400000000, -0.0114176300000000, -0.0074526200000000 ] - [ -0.0002357300000000, 0.0002003200000000, -0.0002136500000000 ] - [ -0.0100242400000000, -0.0114176300000000, -0.0074526200000000 ] - [ 0.0002079800000000, -0.0002397400000000, -0.0002191000000000 ] - [ 0.0001929100000000, -0.0002083200000000, -0.0001739100000000 ] - [ 0.0002059000000000, 0.0001955000000000, 0.0001925600000000 ] - [ 0.0001772500000000, 0.0002267900000000, 0.0001801700000000 ] - [ 0.0003349200000000, 0.0004233600000000, -0.0021707900000000 ] - [ -0.0001865500000000, -0.0002128700000000, 0.0001659900000000 ] - [ 0.0002602900000000, 0.0002736500000000, 0.0001452500000000 ] - [ 0.0002599900000000, 0.0002568200000000, 0.0002060200000000 ] - [ -0.0002809300000000, -0.0002444200000000, 0.0001314900000000 ] - [ -0.0002853900000000, -0.0002030900000000, 0.0001798300000000 ] - [ -0.0002712600000000, 0.0002323700000000, -0.0001157200000000 ] - [ -0.0002676700000000, 0.0002152100000000, -0.0001805800000000 ] - [ 0.0002688400000000, -0.0001836700000000, -0.0002565100000000 ] - [ 0.0002796700000000, -0.0002468900000000, -0.0001515900000000 ] - [ 0.0000000000000000, 0.0035116400000000, 0.2439860600000000 ] - [ 0.0000000000000000, -0.0000284400000000, 0.0000078700000000 ] - [ 0.0000000000000000, -0.0001412000000000, -0.0010030600000000 ] - [ 0.0000000000000000, 0.0001299900000000, 0.0001947500000000 ] - [ 0.0000000000000000, -0.0004276000000000, 0.0001032000000000 ] - [ 0.0000000000000000, -0.0000791500000000, 0.0001047600000000 ] - [ 0.0000000000000000, 0.0002026200000000, -0.0003580000000000 ] - [ 0.0000000000000000, 0.0060853200000000, -0.0092002000000000 ] - [ 0.0000000000000000, 0.0004815000000000, -0.0000448100000000 ] - [ 0.0000000000000000, 0.0133784500000000, -0.0186185800000000 ] - [ 0.0000000000000000, 0.0004650900000000, -0.0004803500000000 ] - [ 0.0000000000000000, 0.0001954900000000, 0.0001847800000000 ] - [ 0.0000000000000000, 0.0066285100000000, -0.0007257200000000 ] - [ 0.0000000000000000, 0.0004747200000000, 0.0000845000000000 ] - [ 0.0000000000000000, -0.0135215900000000, -0.0682091400000000 ] - [ 0.0000000000000000, -0.0000774300000000, 0.0001919000000000 ] - [ 0.0005535800000000, -0.0001346000000000, 0.0002770300000000 ] - [ -0.0001463200000000, 0.0000764000000000, -0.0000727000000000 ] - [ -0.0003003800000000, -0.0000307500000000, 0.0000493100000000 ] - [ -0.0001578800000000, -0.0000050200000000, -0.0000246800000000 ] - [ -0.0005535800000000, -0.0001346000000000, 0.0002770300000000 ] - [ 0.0001463200000000, 0.0000764000000000, -0.0000727000000000 ] - [ 0.0003003800000000, -0.0000307500000000, 0.0000493100000000 ] - [ 0.0001578800000000, -0.0000050200000000, -0.0000246800000000 ] - [ 0.0000000000000000, -0.0001506000000000, 0.0001811200000000 ] - [ 0.0000000000000000, -0.0001323100000000, 0.0001783100000000 ] - [ 0.0000000000000000, 0.0001563100000000, 0.0000613300000000 ] - [ 0.0000000000000000, 0.0000806900000000, -0.0000338000000000 ] - [ 0.0000000000000000, -0.0001813100000000, -0.0000192600000000 ] - [ 0.0000000000000000, -0.0000692500000000, -0.0001037800000000 ] - [ 0.0000000000000000, -0.0000620100000000, -0.0003335300000000 ] - [ 0.0000000000000000, 0.0001497400000000, -0.0001495400000000 ] - [ 0.0000000000000000, 0.0001823000000000, -0.0000147300000000 ] - [ 0.0000000000000000, 0.0003173000000000, -0.0001471500000000 ] - [ 0.0000000000000000, -0.0003206700000000, -0.0002326400000000 ] - [ 0.0000000000000000, -0.0001853800000000, -0.0001486100000000 ] - [ 0.0000000000000000, 0.0002808800000000, 0.0001732100000000 ] - [ 0.0000000000000000, 0.0001795800000000, 0.0001864000000000 ] - [ 0.0000000000000000, -0.0002247100000000, 0.0001004500000000 ] - [ 0.0000000000000000, -0.0002298600000000, 0.0001848100000000 ] - [ -0.0003859500000000, 0.0000860600000000, 0.0001186500000000 ] - [ -0.0000149600000000, 0.0000325900000000, 0.0000200200000000 ] - [ 0.0237675100000000, 0.0139344100000000, -0.0382611200000000 ] - [ -0.0001058900000000, 0.0000557800000000, 0.0000535400000000 ] - [ 0.0003859500000000, 0.0000860600000000, 0.0001186500000000 ] - [ 0.0000149600000000, 0.0000325900000000, 0.0000200200000000 ] - [ -0.0237675100000000, 0.0139344100000000, -0.0382611200000000 ] - [ 0.0001058900000000, 0.0000557800000000, 0.0000535400000000 ]- atom: 105 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0062088000000000, -0.0000090800000000, -0.0000229400000000 ] - [ -0.0000002500000000, -0.0000221600000000, 0.0000101700000000 ] - [ 0.0002618000000000, 0.0000442200000000, -0.0000026600000000 ] - [ -0.0000018800000000, 0.0000228600000000, 0.0000103500000000 ] - [ -0.0000060900000000, -0.0000222800000000, -0.0000105800000000 ] - [ -0.0006814800000000, -0.0000242400000000, 0.0000105200000000 ] - [ -0.0000257500000000, 0.0000227700000000, -0.0000108800000000 ] - [ 0.0002169700000000, 0.0000242800000000, -0.0000094800000000 ] - [ 0.0001755300000000, 0.0000362800000000, -0.0000483300000000 ] - [ 0.0002118200000000, 0.0000021100000000, 0.0000008000000000 ] - [ -0.0005606300000000, 0.0002438600000000, 0.0000507100000000 ] - [ -0.0001903100000000, 0.0000432400000000, 0.0000028800000000 ] - [ -0.0002624900000000, -0.0000361300000000, 0.0000476100000000 ] - [ -0.0002276900000000, -0.0000013600000000, -0.0000009700000000 ] - [ -0.0001165600000000, -0.0002421700000000, -0.0000518800000000 ] - [ 0.0002505600000000, -0.0000445400000000, -0.0000031300000000 ] - [ -0.0002764300000000, 0.0002448100000000, 0.0001786300000000 ] - [ 0.0007440700000000, -0.0014856900000000, -0.0007971100000000 ] - [ 0.0003029400000000, -0.0002109700000000, 0.0002206800000000 ] - [ 0.0002387900000000, -0.0002220700000000, 0.0001430200000000 ] - [ 0.0003663400000000, 0.0002751100000000, -0.0002244200000000 ] - [ 0.0002678200000000, 0.0002271600000000, -0.0001675700000000 ] - [ 0.0303295700000000, 0.0082306400000000, -0.0212481400000000 ] - [ -0.0002718000000000, -0.0002353500000000, -0.0001624100000000 ] - [ 0.0001661100000000, -0.0002156100000000, 0.0001018800000000 ] - [ 0.0002037400000000, -0.0002010400000000, 0.0001867300000000 ] - [ -0.0000804100000000, 0.0005127000000000, 0.0005657900000000 ] - [ -0.0002006900000000, 0.0001932000000000, 0.0001735000000000 ] - [ 0.0001046200000000, -0.0001741500000000, 0.0001344900000000 ] - [ -0.0001941800000000, -0.0002144500000000, -0.0001901700000000 ] - [ 0.0001671700000000, 0.0002315800000000, -0.0001686800000000 ] - [ 0.0002012800000000, 0.0002040400000000, -0.0001862300000000 ] - [ -0.0002351300000000, 0.0001769800000000, -0.0002023900000000 ] - [ -0.0002013100000000, 0.0002050400000000, -0.0001856300000000 ] - [ 0.0005072500000000, -0.0002303600000000, -0.0005113500000000 ] - [ 0.0002077800000000, -0.0001937700000000, -0.0001818800000000 ] - [ 0.0003251600000000, -0.0001018300000000, -0.0002006900000000 ] - [ 0.0002015600000000, 0.0002156500000000, 0.0001989500000000 ] - [ -0.0002360000000000, -0.0001922600000000, 0.0002679800000000 ] - [ -0.0001986200000000, -0.0002069600000000, 0.0001847500000000 ] - [ 0.0002691000000000, 0.0002280700000000, 0.0001506300000000 ] - [ 0.0012739900000000, 0.0019856000000000, 0.0011258900000000 ] - [ -0.0002426200000000, -0.0002610700000000, 0.0001093000000000 ] - [ -0.0003064900000000, -0.0002513600000000, 0.0001857300000000 ] - [ -0.0001844800000000, 0.0002017200000000, -0.0001027500000000 ] - [ -0.0002770700000000, 0.0002466600000000, -0.0001617900000000 ] - [ 0.0319922200000000, -0.0091202200000000, 0.0220575300000000 ] - [ 0.0002741000000000, -0.0002369400000000, -0.0001665700000000 ] - [ 0.0000032300000000, -0.0000224700000000, 0.0000106000000000 ] - [ 0.0000165900000000, -0.0000216000000000, 0.0000108600000000 ] - [ 0.0000024300000000, 0.0000225400000000, 0.0000101000000000 ] - [ 0.0000073100000000, 0.0000234600000000, 0.0000092900000000 ] - [ -0.0000171000000000, -0.0000230100000000, -0.0000095900000000 ] - [ 0.0000001000000000, -0.0000224600000000, -0.0000098100000000 ] - [ -0.0000090000000000, 0.0000222700000000, -0.0000108100000000 ] - [ -0.0000002700000000, 0.0000225900000000, -0.0000107800000000 ] - [ 0.0002213600000000, 0.0000009500000000, 0.0000005500000000 ] - [ -0.0005278900000000, 0.0001278200000000, -0.0004813400000000 ] - [ -0.0002178500000000, -0.0000023000000000, -0.0000002200000000 ] - [ 0.0019503000000000, 0.0005648400000000, 0.0002512600000000 ] - [ -0.0002195200000000, -0.0000009000000000, -0.0000006200000000 ] - [ -0.0009694800000000, -0.0001278500000000, 0.0004788900000000 ] - [ 0.0002231400000000, 0.0000026400000000, 0.0000002500000000 ] - [ 0.0023836800000000, -0.0005623900000000, -0.0002506300000000 ] - [ -0.0002587100000000, 0.0003331900000000, 0.0001211000000000 ] - [ -0.0002706500000000, 0.0002369200000000, 0.0001649600000000 ] - [ 0.0002221600000000, -0.0001720700000000, 0.0001968800000000 ] - [ 0.0002725600000000, -0.0002370500000000, 0.0001649800000000 ] - [ 0.0002702600000000, 0.0002387800000000, -0.0001681400000000 ] - [ 0.0002315800000000, 0.0001912600000000, -0.0001710000000000 ] - [ -0.0003136500000000, -0.0002482100000000, -0.0001721700000000 ] - [ -0.0002692500000000, -0.0002244500000000, -0.0001680400000000 ] - [ 0.0002038200000000, -0.0002059300000000, 0.0001897200000000 ] - [ 0.0011959500000000, 0.0016210800000000, 0.0009654400000000 ] - [ -0.0001934300000000, 0.0001630800000000, 0.0002771600000000 ] - [ -0.0002012300000000, 0.0002039000000000, 0.0001860400000000 ] - [ -0.0002020700000000, -0.0002048500000000, -0.0001879800000000 ] - [ -0.0002689300000000, -0.0001878300000000, -0.0002015200000000 ] - [ 0.0327691400000000, 0.0126327200000000, -0.0217470700000000 ] - [ 0.0002042900000000, 0.0002019200000000, -0.0001874000000000 ] - [ 0.0312327600000000, -0.0115886600000000, 0.0203293200000000 ] - [ -0.0001985900000000, 0.0002070300000000, -0.0001848100000000 ] - [ 0.0001994000000000, -0.0002034900000000, -0.0001841000000000 ] - [ 0.0001335300000000, -0.0002208800000000, -0.0001705200000000 ] - [ 0.0002109300000000, 0.0002474000000000, 0.0000914100000000 ] - [ 0.0002004400000000, 0.0002050500000000, 0.0001861300000000 ] - [ -0.0001984200000000, -0.0002026300000000, 0.0001813000000000 ] - [ 0.0008096200000000, -0.0020145400000000, -0.0005720900000000 ] - [ 0.0002873900000000, 0.0001399800000000, 0.0002088200000000 ] - [ 0.0002744400000000, 0.0002360100000000, 0.0001648700000000 ] - [ -0.0003238900000000, -0.0002998600000000, 0.0001316600000000 ] - [ -0.0002724400000000, -0.0002354900000000, 0.0001643600000000 ] - [ -0.0002748800000000, 0.0002346100000000, -0.0001615000000000 ] - [ -0.0003149200000000, 0.0002822700000000, -0.0001581300000000 ] - [ 0.0002316500000000, -0.0002241700000000, -0.0001582100000000 ] - [ 0.0002768300000000, -0.0002485200000000, -0.0001610100000000 ] - [ -0.0000218900000000, -0.0001151400000000, 0.0001261900000000 ] - [ 0.0096371500000000, -0.0002126800000000, 0.0001253200000000 ] - [ -0.0003480000000000, 0.0001148800000000, 0.0001279700000000 ] - [ 0.0001051500000000, 0.0001159700000000, 0.0001266700000000 ] - [ 0.0032161100000000, -0.0001536000000000, -0.0001032600000000 ] - [ -0.0000049100000000, -0.0001129000000000, -0.0001258900000000 ] - [ 0.0096970900000000, 0.0000446900000000, -0.0001934200000000 ] - [ -0.0000026400000000, 0.0001156000000000, -0.0001256800000000 ] - [ -0.2449120000000000, -0.0007532300000000, -0.0005928700000000 ] - [ 0.0000042600000000, 0.0002554000000000, -0.0001460600000000 ] - [ -0.0016154500000000, -0.0002564000000000, -0.0001536700000000 ] - [ 0.0000269400000000, -0.0002531700000000, -0.0001466400000000 ] - [ 0.0002870700000000, 0.0002538800000000, 0.0001446000000000 ] - [ 0.0002866700000000, 0.0002574300000000, 0.0001443200000000 ] - [ -0.0000019500000000, -0.0002558000000000, 0.0001455200000000 ] - [ -0.0045744700000000, -0.0002112900000000, 0.0001671400000000 ] - [ -0.0000235900000000, -0.0006178900000000, 0.0003943400000000 ] - [ 0.0000133800000000, 0.0000304000000000, 0.0000093700000000 ] - [ 0.0003126300000000, -0.0000387300000000, 0.0000301800000000 ] - [ -0.0000731200000000, -0.0000034800000000, 0.0000083900000000 ] - [ -0.0001252800000000, 0.0006171500000000, -0.0003917200000000 ] - [ -0.0000865700000000, -0.0000281800000000, -0.0000094900000000 ] - [ 0.0004108100000000, 0.0000391000000000, -0.0000294600000000 ] - [ 0.0000230600000000, 0.0000049500000000, -0.0000093900000000 ] - [ 0.0001181900000000, -0.0001160100000000, 0.0001258900000000 ] - [ 0.0000110800000000, -0.0001142300000000, 0.0001258600000000 ] - [ 0.0000514300000000, 0.0001146600000000, 0.0001272700000000 ] - [ 0.0000053600000000, 0.0001149700000000, 0.0001273500000000 ] - [ 0.0000117100000000, -0.0001151600000000, -0.0001262400000000 ] - [ 0.0000913700000000, -0.0001168600000000, -0.0001250900000000 ] - [ 0.0000767700000000, 0.0001154600000000, -0.0001260500000000 ] - [ -0.0000136200000000, 0.0001159900000000, -0.0001260600000000 ] - [ -0.0000049000000000, 0.0002549400000000, -0.0001460300000000 ] - [ -0.0000045100000000, 0.0002537500000000, -0.0001477500000000 ] - [ 0.0000065200000000, -0.0002556900000000, -0.0001457000000000 ] - [ 0.0000254300000000, -0.0002543900000000, -0.0001461100000000 ] - [ 0.0001698200000000, 0.0002559600000000, 0.0001485900000000 ] - [ 0.0000022300000000, 0.0002550500000000, 0.0001463200000000 ] - [ 0.0001597300000000, -0.0002577700000000, 0.0001458300000000 ] - [ 0.0000056600000000, -0.0002531300000000, 0.0001466400000000 ] - [ 0.0000511900000000, 0.0000037100000000, -0.0000000700000000 ] - [ 0.0007138700000000, -0.0000101500000000, -0.0000816900000000 ] - [ -0.0000510200000000, 0.0000090300000000, -0.0000067600000000 ] - [ 0.0428349300000000, -0.0377354100000000, -0.0181605900000000 ] - [ -0.0000474200000000, -0.0000037500000000, 0.0000000600000000 ] - [ 0.0006121900000000, 0.0000093300000000, 0.0000841200000000 ] - [ 0.0000499000000000, -0.0000085900000000, 0.0000069100000000 ] - [ 0.0438902200000000, 0.0385781000000000, 0.0185624800000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0350924000000000, 0.0043455800000000 ] - [ 0.0000000000000000, -0.0002955600000000, -0.0002790100000000 ] - [ 0.0000000000000000, 0.0002016600000000, -0.0012349300000000 ] - [ 0.0000000000000000, -0.0002599900000000, 0.0002836400000000 ] - [ 0.0000000000000000, -0.0003764600000000, 0.0003699700000000 ] - [ 0.0000000000000000, -0.0008821600000000, -0.0014767700000000 ] - [ 0.0000000000000000, -0.0002795100000000, -0.0002625300000000 ] - [ 0.0000000000000000, -0.0017397700000000, -0.0015517100000000 ] - [ 0.0007648000000000, 0.0000851200000000, 0.0000490900000000 ] - [ 0.0000788900000000, -0.0000243900000000, 0.0000056100000000 ] - [ 0.0005188800000000, 0.0000611400000000, 0.0001174500000000 ] - [ -0.0002771100000000, -0.0000321400000000, -0.0000029100000000 ] - [ -0.0007648000000000, 0.0000851200000000, 0.0000490900000000 ] - [ -0.0000788900000000, -0.0000243900000000, 0.0000056100000000 ] - [ -0.0005188800000000, 0.0000611400000000, 0.0001174500000000 ] - [ 0.0002771100000000, -0.0000321400000000, -0.0000029100000000 ] - [ -0.0001926300000000, 0.0001391300000000, 0.0001965900000000 ] - [ -0.0009456300000000, 0.0027472000000000, 0.0007462100000000 ] - [ 0.0003950000000000, -0.0003025600000000, 0.0000860200000000 ] - [ 0.0002850500000000, -0.0002807300000000, 0.0001570500000000 ] - [ 0.0004590100000000, 0.0001840300000000, -0.0004865600000000 ] - [ 0.0002069800000000, 0.0001487100000000, -0.0002026800000000 ] - [ 0.0095356700000000, 0.0071380100000000, -0.0116571100000000 ] - [ -0.0003285800000000, -0.0003217100000000, -0.0001303700000000 ] - [ 0.0002122600000000, -0.0002119400000000, 0.0002208400000000 ] - [ 0.0001808100000000, -0.0002095000000000, 0.0001617000000000 ] - [ -0.0001289400000000, 0.0001776400000000, -0.0001282000000000 ] - [ -0.0002094700000000, 0.0002122300000000, 0.0001325700000000 ] - [ -0.0003400500000000, -0.0001186900000000, -0.0005222800000000 ] - [ -0.0001484500000000, -0.0002293200000000, -0.0001991500000000 ] - [ 0.0001895900000000, 0.0002446100000000, -0.0001848300000000 ] - [ 0.0002208700000000, 0.0001900500000000, -0.0002029200000000 ] - [ -0.0001895900000000, 0.0002446100000000, -0.0001848300000000 ] - [ -0.0002208700000000, 0.0001900500000000, -0.0002029200000000 ] - [ 0.0003400500000000, -0.0001186900000000, -0.0005222800000000 ] - [ 0.0001484500000000, -0.0002293200000000, -0.0001991500000000 ] - [ 0.0001289400000000, 0.0001776400000000, -0.0001282000000000 ] - [ 0.0002094700000000, 0.0002122300000000, 0.0001325700000000 ] - [ -0.0002122600000000, -0.0002119400000000, 0.0002208400000000 ] - [ -0.0001808100000000, -0.0002095000000000, 0.0001617000000000 ] - [ 0.0001926300000000, 0.0001391300000000, 0.0001965900000000 ] - [ 0.0009456300000000, 0.0027472000000000, 0.0007462100000000 ] - [ -0.0003950000000000, -0.0003025600000000, 0.0000860200000000 ] - [ -0.0002850500000000, -0.0002807300000000, 0.0001570500000000 ] - [ -0.0004590100000000, 0.0001840300000000, -0.0004865600000000 ] - [ -0.0002069800000000, 0.0001487100000000, -0.0002026800000000 ] - [ -0.0095356700000000, 0.0071380100000000, -0.0116571100000000 ] - [ 0.0003285800000000, -0.0003217100000000, -0.0001303700000000 ] - [ 0.0000000000000000, -0.0001084100000000, -0.0000750800000000 ] - [ 0.0000000000000000, -0.0001237500000000, -0.0000023000000000 ] - [ 0.0000000000000000, -0.0000796200000000, 0.0000647500000000 ] - [ 0.0000000000000000, -0.0000345300000000, 0.0000740400000000 ] - [ 0.0000000000000000, 0.0003416900000000, -0.0002859300000000 ] - [ 0.0000000000000000, -0.0001943500000000, 0.0001431900000000 ] - [ 0.0000000000000000, 0.0003424800000000, 0.0002745400000000 ] - [ 0.0000000000000000, -0.0001492800000000, -0.0001621300000000 ] - [ 0.0001519000000000, -0.0000892900000000, 0.0000173400000000 ] - [ 0.0005998800000000, -0.0000275400000000, 0.0002834600000000 ] - [ -0.0002900100000000, -0.0000445100000000, -0.0000084800000000 ] - [ -0.0004905100000000, -0.0014772000000000, -0.0006624400000000 ] - [ -0.0001519000000000, -0.0000892900000000, 0.0000173400000000 ] - [ -0.0005998800000000, -0.0000275400000000, 0.0002834600000000 ] - [ 0.0002900100000000, -0.0000445100000000, -0.0000084800000000 ] - [ 0.0004905100000000, -0.0014772000000000, -0.0006624400000000 ] - [ -0.0003102900000000, 0.0002744100000000, 0.0001523500000000 ] - [ -0.0002466800000000, 0.0001951000000000, 0.0001894300000000 ] - [ 0.0002029900000000, -0.0001679200000000, 0.0002374800000000 ] - [ 0.0003017400000000, -0.0002812300000000, 0.0001349100000000 ] - [ 0.0002547400000000, 0.0001909500000000, -0.0002000300000000 ] - [ 0.0002612500000000, 0.0002843700000000, -0.0001454900000000 ] - [ -0.0002637800000000, -0.0001983800000000, -0.0001756500000000 ] - [ -0.0002862200000000, -0.0002431100000000, -0.0001234800000000 ] - [ 0.0001701300000000, -0.0002172500000000, 0.0001543200000000 ] - [ 0.0004635800000000, 0.0003885900000000, 0.0002686400000000 ] - [ -0.0001606300000000, 0.0001397100000000, 0.0002500600000000 ] - [ -0.0002234000000000, 0.0001977600000000, 0.0002075800000000 ] - [ -0.0001846100000000, -0.0002194900000000, -0.0001657600000000 ] - [ -0.0002479200000000, -0.0001735400000000, -0.0001344300000000 ] - [ 0.0107636500000000, 0.0103801700000000, -0.0113997100000000 ] - [ 0.0002401300000000, 0.0001853000000000, -0.0002139400000000 ] - [ -0.0107636500000000, 0.0103801700000000, -0.0113997100000000 ] - [ -0.0002401300000000, 0.0001853000000000, -0.0002139400000000 ] - [ 0.0001846100000000, -0.0002194900000000, -0.0001657600000000 ] - [ 0.0002479200000000, -0.0001735400000000, -0.0001344300000000 ] - [ 0.0001606300000000, 0.0001397100000000, 0.0002500600000000 ] - [ 0.0002234000000000, 0.0001977600000000, 0.0002075800000000 ] - [ -0.0001701300000000, -0.0002172500000000, 0.0001543200000000 ] - [ -0.0004635800000000, 0.0003885900000000, 0.0002686400000000 ] - [ 0.0003102900000000, 0.0002744100000000, 0.0001523500000000 ] - [ 0.0002466800000000, 0.0001951000000000, 0.0001894300000000 ] - [ -0.0002029900000000, -0.0001679200000000, 0.0002374800000000 ] - [ -0.0003017400000000, -0.0002812300000000, 0.0001349100000000 ] - [ -0.0002547400000000, 0.0001909500000000, -0.0002000300000000 ] - [ -0.0002612500000000, 0.0002843700000000, -0.0001454900000000 ] - [ 0.0002637800000000, -0.0001983800000000, -0.0001756500000000 ] - [ 0.0002862200000000, -0.0002431100000000, -0.0001234800000000 ] - [ 0.0000000000000000, 0.0000530500000000, -0.0001029800000000 ] - [ 0.0000000000000000, 0.0700742500000000, -0.0135733000000000 ] - [ 0.0000000000000000, 0.0002926700000000, 0.0005892000000000 ] - [ 0.0000000000000000, -0.0000721300000000, 0.0008543200000000 ] - [ 0.0000000000000000, 0.0006870100000000, 0.0062749200000000 ] - [ 0.0000000000000000, 0.0000046600000000, 0.0000970800000000 ] - [ 0.0000000000000000, 0.0184128300000000, 0.0137061200000000 ] - [ 0.0000000000000000, 0.0002468000000000, -0.0003018600000000 ] - [ 0.0000000000000000, -0.2455661100000000, 0.0041838800000000 ] - [ 0.0000000000000000, 0.0005388700000000, -0.0000813700000000 ] - [ 0.0000000000000000, -0.0010739800000000, -0.0002879500000000 ] - [ 0.0000000000000000, 0.0001341300000000, -0.0002776700000000 ] - [ 0.0000000000000000, 0.0007805200000000, 0.0000655000000000 ] - [ 0.0000000000000000, 0.0007793300000000, -0.0000232900000000 ] - [ 0.0000000000000000, 0.0000784300000000, 0.0002228500000000 ] - [ 0.0000000000000000, 0.0088450300000000, 0.0063255500000000 ] - [ -0.0003949900000000, -0.0002298600000000, -0.0000707700000000 ] - [ 0.0001757600000000, 0.0000243000000000, 0.0000059700000000 ] - [ -0.0006073000000000, -0.0002434700000000, 0.0000915800000000 ] - [ -0.0000031500000000, 0.0000584300000000, 0.0000061000000000 ] - [ 0.0003949900000000, -0.0002298600000000, -0.0000707700000000 ] - [ -0.0001757600000000, 0.0000243000000000, 0.0000059700000000 ] - [ 0.0006073000000000, -0.0002434700000000, 0.0000915800000000 ] - [ 0.0000031500000000, 0.0000584300000000, 0.0000061000000000 ] - [ 0.0000000000000000, -0.0002853200000000, 0.0001994300000000 ] - [ 0.0000000000000000, -0.0000219100000000, 0.0000628800000000 ] - [ 0.0000000000000000, -0.0001207900000000, 0.0000575600000000 ] - [ 0.0000000000000000, 0.0002180000000000, 0.0001944300000000 ] - [ 0.0000000000000000, -0.0000234100000000, -0.0000991500000000 ] - [ 0.0000000000000000, 0.0001171300000000, -0.0002025300000000 ] - [ 0.0000000000000000, 0.0001225900000000, -0.0001529900000000 ] - [ 0.0000000000000000, 0.0001550600000000, -0.0001571300000000 ] - [ 0.0000000000000000, 0.0003796200000000, -0.0001684800000000 ] - [ 0.0000000000000000, 0.0003784700000000, -0.0001255900000000 ] - [ 0.0000000000000000, -0.0001396100000000, -0.0001377800000000 ] - [ 0.0000000000000000, -0.0001594000000000, -0.0001316600000000 ] - [ 0.0000000000000000, -0.0003117200000000, -0.0000926800000000 ] - [ 0.0000000000000000, 0.0004339500000000, 0.0001286100000000 ] - [ 0.0000000000000000, -0.0005278000000000, 0.0001209500000000 ] - [ 0.0000000000000000, -0.0000734600000000, 0.0001583900000000 ] - [ 0.0001094300000000, 0.0000728400000000, 0.0000000300000000 ] - [ -0.0003178500000000, -0.0000945300000000, -0.0000374500000000 ] - [ 0.0000116000000000, 0.0001525500000000, 0.0000232600000000 ] - [ -0.0247376600000000, 0.0386601400000000, 0.0143836800000000 ] - [ -0.0001094300000000, 0.0000728400000000, 0.0000000300000000 ] - [ 0.0003178500000000, -0.0000945300000000, -0.0000374500000000 ] - [ -0.0000116000000000, 0.0001525500000000, 0.0000232600000000 ] - [ 0.0247376600000000, 0.0386601400000000, 0.0143836800000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0368214300000000, -0.0050121000000000 ] - [ 0.0000000000000000, 0.0002504700000000, 0.0002932900000000 ] - [ 0.0000000000000000, -0.0001989300000000, 0.0012356000000000 ] - [ 0.0000000000000000, 0.0002995500000000, -0.0002627500000000 ] - [ 0.0000000000000000, 0.0003308300000000, -0.0003842200000000 ] - [ 0.0000000000000000, 0.0008171400000000, 0.0013968100000000 ] - [ 0.0000000000000000, 0.0003188300000000, 0.0002403500000000 ] - [ 0.0000000000000000, 0.0017246800000000, 0.0014929200000000 ] - [ -0.0003303200000000, -0.0000850700000000, -0.0000492700000000 ] - [ 0.0003494900000000, 0.0000251000000000, -0.0000053100000000 ] - [ -0.0009579400000000, -0.0000590300000000, -0.0001182300000000 ] - [ -0.0001597400000000, 0.0000317900000000, 0.0000031700000000 ] - [ 0.0003303200000000, -0.0000850700000000, -0.0000492700000000 ] - [ -0.0003494900000000, 0.0000251000000000, -0.0000053100000000 ] - [ 0.0009579400000000, -0.0000590300000000, -0.0001182300000000 ] - [ 0.0001597400000000, 0.0000317900000000, 0.0000031700000000 ] - [ -0.0003561200000000, 0.0003308800000000, 0.0001331600000000 ] - [ 0.0003509500000000, -0.0022227300000000, -0.0004154500000000 ] - [ 0.0001565500000000, -0.0001683500000000, 0.0002433500000000 ] - [ 0.0002646400000000, -0.0001900000000000, 0.0001723800000000 ] - [ 0.0000943400000000, 0.0002929000000000, 0.0001615300000000 ] - [ 0.0003416700000000, 0.0003216500000000, -0.0001272200000000 ] - [ -0.0102691000000000, -0.0076367300000000, 0.0115194100000000 ] - [ -0.0002219700000000, -0.0001498200000000, -0.0001983900000000 ] - [ 0.0001940100000000, -0.0001973500000000, 0.0001475200000000 ] - [ 0.0002254700000000, -0.0001989400000000, 0.0002077400000000 ] - [ -0.0002830000000000, 0.0002295300000000, 0.0004968900000000 ] - [ -0.0001969600000000, 0.0001967600000000, 0.0002372000000000 ] - [ -0.0000635500000000, -0.0002859900000000, 0.0001498600000000 ] - [ -0.0002572100000000, -0.0001792800000000, -0.0001712400000000 ] - [ 0.0002169900000000, 0.0001645100000000, -0.0001847600000000 ] - [ 0.0001854100000000, 0.0002191100000000, -0.0001665500000000 ] - [ -0.0002169900000000, 0.0001645100000000, -0.0001847600000000 ] - [ -0.0001854100000000, 0.0002191100000000, -0.0001665500000000 ] - [ 0.0000635500000000, -0.0002859900000000, 0.0001498600000000 ] - [ 0.0002572100000000, -0.0001792800000000, -0.0001712400000000 ] - [ 0.0002830000000000, 0.0002295300000000, 0.0004968900000000 ] - [ 0.0001969600000000, 0.0001967600000000, 0.0002372000000000 ] - [ -0.0001940100000000, -0.0001973500000000, 0.0001475200000000 ] - [ -0.0002254700000000, -0.0001989400000000, 0.0002077400000000 ] - [ 0.0003561200000000, 0.0003308800000000, 0.0001331600000000 ] - [ -0.0003509500000000, -0.0022227300000000, -0.0004154500000000 ] - [ -0.0001565500000000, -0.0001683500000000, 0.0002433500000000 ] - [ -0.0002646400000000, -0.0001900000000000, 0.0001723800000000 ] - [ -0.0000943400000000, 0.0002929000000000, 0.0001615300000000 ] - [ -0.0003416700000000, 0.0003216500000000, -0.0001272200000000 ] - [ 0.0102691000000000, -0.0076367300000000, 0.0115194100000000 ] - [ 0.0002219700000000, -0.0001498200000000, -0.0001983900000000 ] - [ 0.0000000000000000, 0.0000655400000000, 0.0000920800000000 ] - [ 0.0000000000000000, 0.0000840500000000, 0.0000236200000000 ] - [ 0.0000000000000000, 0.0001209600000000, -0.0000459700000000 ] - [ 0.0000000000000000, 0.0000796700000000, -0.0000585300000000 ] - [ 0.0000000000000000, -0.0003838500000000, 0.0002680000000000 ] - [ 0.0000000000000000, 0.0001504200000000, -0.0001595000000000 ] - [ 0.0000000000000000, -0.0003006300000000, -0.0002909500000000 ] - [ 0.0000000000000000, 0.0001900900000000, 0.0001432600000000 ] - [ 0.0002814900000000, 0.0000885900000000, -0.0000169600000000 ] - [ -0.0001715400000000, 0.0000279800000000, -0.0002895500000000 ] - [ -0.0001434800000000, 0.0000441900000000, 0.0000084600000000 ] - [ 0.0000472300000000, 0.0014321500000000, 0.0006537700000000 ] - [ -0.0002814900000000, 0.0000885900000000, -0.0000169600000000 ] - [ 0.0001715400000000, 0.0000279800000000, -0.0002895500000000 ] - [ 0.0001434800000000, 0.0000441900000000, 0.0000084600000000 ] - [ -0.0000472300000000, 0.0014321500000000, 0.0006537700000000 ] - [ -0.0002400400000000, 0.0001960400000000, 0.0001782400000000 ] - [ -0.0003027600000000, 0.0002759300000000, 0.0001402100000000 ] - [ 0.0003466000000000, -0.0003015300000000, 0.0000919000000000 ] - [ 0.0002480500000000, -0.0001894700000000, 0.0001942100000000 ] - [ 0.0002950100000000, 0.0002792200000000, -0.0001290100000000 ] - [ 0.0002892400000000, 0.0001870700000000, -0.0001831900000000 ] - [ -0.0002864100000000, -0.0002723900000000, -0.0001535000000000 ] - [ -0.0002635800000000, -0.0002278600000000, -0.0002058100000000 ] - [ 0.0002356400000000, -0.0001912000000000, 0.0002150100000000 ] - [ -0.0000560500000000, -0.0007877300000000, 0.0001235500000000 ] - [ -0.0002472500000000, 0.0002700500000000, 0.0001183500000000 ] - [ -0.0001829800000000, 0.0002114500000000, 0.0001622800000000 ] - [ -0.0002215500000000, -0.0001901800000000, -0.0002036700000000 ] - [ -0.0001593300000000, -0.0002350000000000, -0.0002362600000000 ] - [ -0.0099771700000000, -0.0099079100000000, 0.0106879600000000 ] - [ 0.0001664800000000, 0.0002240000000000, -0.0001561300000000 ] - [ 0.0099771700000000, -0.0099079100000000, 0.0106879600000000 ] - [ -0.0001664800000000, 0.0002240000000000, -0.0001561300000000 ] - [ 0.0002215500000000, -0.0001901800000000, -0.0002036700000000 ] - [ 0.0001593300000000, -0.0002350000000000, -0.0002362600000000 ] - [ 0.0002472500000000, 0.0002700500000000, 0.0001183500000000 ] - [ 0.0001829800000000, 0.0002114500000000, 0.0001622800000000 ] - [ -0.0002356400000000, -0.0001912000000000, 0.0002150100000000 ] - [ 0.0000560500000000, -0.0007877300000000, 0.0001235500000000 ] - [ 0.0002400400000000, 0.0001960400000000, 0.0001782400000000 ] - [ 0.0003027600000000, 0.0002759300000000, 0.0001402100000000 ] - [ -0.0003466000000000, -0.0003015300000000, 0.0000919000000000 ] - [ -0.0002480500000000, -0.0001894700000000, 0.0001942100000000 ] - [ -0.0002950100000000, 0.0002792200000000, -0.0001290100000000 ] - [ -0.0002892400000000, 0.0001870700000000, -0.0001831900000000 ] - [ 0.0002864100000000, -0.0002723900000000, -0.0001535000000000 ] - [ 0.0002635800000000, -0.0002278600000000, -0.0002058100000000 ] - [ 0.0000000000000000, -0.0002817500000000, 0.0003539300000000 ] - [ 0.0000000000000000, -0.0680028800000000, 0.0129510200000000 ] - [ 0.0000000000000000, -0.0000610100000000, -0.0003349100000000 ] - [ 0.0000000000000000, 0.0002963400000000, -0.0005841700000000 ] - [ 0.0000000000000000, -0.0009569700000000, -0.0064990400000000 ] - [ 0.0000000000000000, -0.0002329700000000, -0.0003459700000000 ] - [ 0.0000000000000000, -0.0181467200000000, -0.0136948100000000 ] - [ 0.0000000000000000, -0.0000129300000000, 0.0000470000000000 ] - [ 0.0000000000000000, 0.2440459400000000, -0.0037554600000000 ] - [ 0.0000000000000000, -0.0000236800000000, -0.0002100400000000 ] - [ 0.0000000000000000, 0.0005899900000000, -0.0000111200000000 ] - [ 0.0000000000000000, -0.0006375100000000, -0.0000183500000000 ] - [ 0.0000000000000000, -0.0002670300000000, 0.0002212900000000 ] - [ 0.0000000000000000, -0.0002704100000000, 0.0003143300000000 ] - [ 0.0000000000000000, -0.0005855900000000, 0.0000698400000000 ] - [ 0.0000000000000000, -0.0092303600000000, -0.0058714400000000 ] - [ 0.0004960600000000, 0.0002270300000000, 0.0000690100000000 ] - [ -0.0000714200000000, -0.0000264200000000, -0.0000084200000000 ] - [ 0.0005106100000000, 0.0002458300000000, -0.0000915200000000 ] - [ -0.0000952800000000, -0.0000590600000000, -0.0000064100000000 ] - [ -0.0004960600000000, 0.0002270300000000, 0.0000690100000000 ] - [ 0.0000714200000000, -0.0000264200000000, -0.0000084200000000 ] - [ -0.0005106100000000, 0.0002458300000000, -0.0000915200000000 ] - [ 0.0000952800000000, -0.0000590600000000, -0.0000064100000000 ] - [ 0.0000000000000000, 0.0000534000000000, 0.0000574500000000 ] - [ 0.0000000000000000, -0.0002078800000000, 0.0001892100000000 ] - [ 0.0000000000000000, 0.0003470700000000, 0.0001927400000000 ] - [ 0.0000000000000000, 0.0000119000000000, 0.0000575300000000 ] - [ 0.0000000000000000, -0.0002062800000000, -0.0001519800000000 ] - [ 0.0000000000000000, -0.0003493900000000, -0.0000502400000000 ] - [ 0.0000000000000000, 0.0001108400000000, -0.0001023200000000 ] - [ 0.0000000000000000, 0.0000759500000000, -0.0000952600000000 ] - [ 0.0000000000000000, 0.0001275100000000, -0.0001267600000000 ] - [ 0.0000000000000000, 0.0001268600000000, -0.0001697000000000 ] - [ 0.0000000000000000, -0.0003704600000000, -0.0001541800000000 ] - [ 0.0000000000000000, -0.0003504700000000, -0.0001606200000000 ] - [ 0.0000000000000000, 0.0008202800000000, 0.0003875000000000 ] - [ 0.0000000000000000, 0.0000768100000000, 0.0001644400000000 ] - [ 0.0000000000000000, 0.0000196200000000, 0.0001736900000000 ] - [ 0.0000000000000000, -0.0004302500000000, 0.0001362400000000 ] - [ -0.0000100700000000, -0.0000726200000000, -0.0000000600000000 ] - [ 0.0004224600000000, 0.0000926900000000, 0.0000377000000000 ] - [ -0.0001130100000000, -0.0001500400000000, -0.0000227500000000 ] - [ 0.0237790400000000, -0.0380324100000000, -0.0139890300000000 ] - [ 0.0000100700000000, -0.0000726200000000, -0.0000000600000000 ] - [ -0.0004224600000000, 0.0000926900000000, 0.0000377000000000 ] - [ 0.0001130100000000, -0.0001500400000000, -0.0000227500000000 ] - [ -0.0237790400000000, -0.0380324100000000, -0.0139890300000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0078384400000000, 0.0139870500000000 ] - [ 0.0000000000000000, -0.0000809200000000, -0.0000589200000000 ] - [ 0.0000000000000000, -0.0013660100000000, 0.0012136400000000 ] - [ 0.0000000000000000, -0.0000453800000000, 0.0000706000000000 ] - [ 0.0000000000000000, -0.0001360800000000, 0.0001364800000000 ] - [ 0.0000000000000000, -0.0009608200000000, 0.0010215900000000 ] - [ 0.0000000000000000, -0.0000259200000000, -0.0000358300000000 ] - [ 0.0000000000000000, -0.0010281000000000, -0.0002705500000000 ] - [ 0.0003110500000000, -0.0000240300000000, -0.0000567600000000 ] - [ 0.0001513400000000, 0.0000119900000000, -0.0000023200000000 ] - [ -0.0001539800000000, 0.0002779500000000, 0.0001519000000000 ] - [ -0.0002740900000000, -0.0000139900000000, -0.0000094900000000 ] - [ -0.0003110500000000, -0.0000240300000000, -0.0000567600000000 ] - [ -0.0001513400000000, 0.0000119900000000, -0.0000023200000000 ] - [ 0.0001539800000000, 0.0002779500000000, 0.0001519000000000 ] - [ 0.0002740900000000, -0.0000139900000000, -0.0000094900000000 ] - [ -0.0002374900000000, 0.0001940400000000, 0.0001696100000000 ] - [ -0.0001746000000000, -0.0012546700000000, 0.0003053600000000 ] - [ 0.0002534500000000, -0.0002693000000000, 0.0001076300000000 ] - [ 0.0002454200000000, -0.0002328300000000, 0.0001599700000000 ] - [ 0.0000482800000000, -0.0001461400000000, -0.0002332000000000 ] - [ 0.0002534000000000, 0.0002200400000000, -0.0001708200000000 ] - [ -0.0212992100000000, -0.0101580500000000, 0.0266729300000000 ] - [ -0.0002908400000000, -0.0002569200000000, -0.0001568800000000 ] - [ 0.0002231000000000, -0.0001892300000000, 0.0002906400000000 ] - [ 0.0001999600000000, -0.0002056400000000, 0.0001844500000000 ] - [ -0.0002433600000000, 0.0002533800000000, -0.0000042500000000 ] - [ -0.0001977000000000, 0.0001965700000000, 0.0002021100000000 ] - [ -0.0003756000000000, -0.0003166700000000, -0.0002942300000000 ] - [ -0.0001798200000000, -0.0002134600000000, -0.0001917200000000 ] - [ 0.0001972800000000, 0.0002221200000000, -0.0001660100000000 ] - [ 0.0001989800000000, 0.0002003800000000, -0.0001769500000000 ] - [ -0.0001972800000000, 0.0002221200000000, -0.0001660100000000 ] - [ -0.0001989800000000, 0.0002003800000000, -0.0001769500000000 ] - [ 0.0003756000000000, -0.0003166700000000, -0.0002942300000000 ] - [ 0.0001798200000000, -0.0002134600000000, -0.0001917200000000 ] - [ 0.0002433600000000, 0.0002533800000000, -0.0000042500000000 ] - [ 0.0001977000000000, 0.0001965700000000, 0.0002021100000000 ] - [ -0.0002231000000000, -0.0001892300000000, 0.0002906400000000 ] - [ -0.0001999600000000, -0.0002056400000000, 0.0001844500000000 ] - [ 0.0002374900000000, 0.0001940400000000, 0.0001696100000000 ] - [ 0.0001746000000000, -0.0012546700000000, 0.0003053600000000 ] - [ -0.0002534500000000, -0.0002693000000000, 0.0001076300000000 ] - [ -0.0002454200000000, -0.0002328300000000, 0.0001599700000000 ] - [ -0.0000482800000000, -0.0001461400000000, -0.0002332000000000 ] - [ -0.0002534000000000, 0.0002200400000000, -0.0001708200000000 ] - [ 0.0212992100000000, -0.0101580500000000, 0.0266729300000000 ] - [ 0.0002908400000000, -0.0002569200000000, -0.0001568800000000 ] - [ 0.0000000000000000, 0.0000038300000000, 0.0000271500000000 ] - [ 0.0000000000000000, 0.0000467400000000, 0.0001007200000000 ] - [ 0.0000000000000000, 0.0000466200000000, -0.0000300800000000 ] - [ 0.0000000000000000, 0.0000844900000000, -0.0000449100000000 ] - [ 0.0000000000000000, -0.0000823400000000, 0.0000546500000000 ] - [ 0.0000000000000000, -0.0000398000000000, 0.0000071300000000 ] - [ 0.0000000000000000, 0.0000040700000000, -0.0001038100000000 ] - [ 0.0000000000000000, 0.0000007300000000, -0.0000240500000000 ] - [ 0.0001857200000000, -0.0000214200000000, 0.0000038400000000 ] - [ 0.0002037400000000, -0.0000207700000000, -0.0000491800000000 ] - [ -0.0002483200000000, -0.0000019700000000, 0.0000007800000000 ] - [ -0.0003863700000000, -0.0006347000000000, -0.0005110300000000 ] - [ -0.0001857200000000, -0.0000214200000000, 0.0000038400000000 ] - [ -0.0002037400000000, -0.0000207700000000, -0.0000491800000000 ] - [ 0.0002483200000000, -0.0000019700000000, 0.0000007800000000 ] - [ 0.0003863700000000, -0.0006347000000000, -0.0005110300000000 ] - [ -0.0002683200000000, 0.0002925000000000, 0.0000748000000000 ] - [ -0.0002777200000000, 0.0002290300000000, 0.0001723900000000 ] - [ 0.0003137300000000, -0.0002772400000000, 0.0001626700000000 ] - [ 0.0002765700000000, -0.0002400900000000, 0.0001603600000000 ] - [ 0.0002749800000000, 0.0002319000000000, -0.0001744000000000 ] - [ 0.0002877700000000, 0.0002233600000000, -0.0001732600000000 ] - [ -0.0002781400000000, -0.0002159900000000, -0.0001779400000000 ] - [ -0.0002853400000000, -0.0002274600000000, -0.0001426100000000 ] - [ 0.0001961400000000, -0.0002068100000000, 0.0001774200000000 ] - [ 0.0007891500000000, 0.0020071400000000, 0.0023103000000000 ] - [ -0.0002246500000000, 0.0002832900000000, 0.0000008600000000 ] - [ -0.0002060100000000, 0.0002047600000000, 0.0001868100000000 ] - [ -0.0002044300000000, -0.0002081100000000, -0.0001834000000000 ] - [ -0.0002152600000000, -0.0001622300000000, -0.0002215200000000 ] - [ -0.0198676500000000, -0.0122896300000000, 0.0254114600000000 ] - [ 0.0002099400000000, 0.0002022200000000, -0.0001881700000000 ] - [ 0.0198676500000000, -0.0122896300000000, 0.0254114600000000 ] - [ -0.0002099400000000, 0.0002022200000000, -0.0001881700000000 ] - [ 0.0002044300000000, -0.0002081100000000, -0.0001834000000000 ] - [ 0.0002152600000000, -0.0001622300000000, -0.0002215200000000 ] - [ 0.0002246500000000, 0.0002832900000000, 0.0000008600000000 ] - [ 0.0002060100000000, 0.0002047600000000, 0.0001868100000000 ] - [ -0.0001961400000000, -0.0002068100000000, 0.0001774200000000 ] - [ -0.0007891500000000, 0.0020071400000000, 0.0023103000000000 ] - [ 0.0002683200000000, 0.0002925000000000, 0.0000748000000000 ] - [ 0.0002777200000000, 0.0002290300000000, 0.0001723900000000 ] - [ -0.0003137300000000, -0.0002772400000000, 0.0001626700000000 ] - [ -0.0002765700000000, -0.0002400900000000, 0.0001603600000000 ] - [ -0.0002749800000000, 0.0002319000000000, -0.0001744000000000 ] - [ -0.0002877700000000, 0.0002233600000000, -0.0001732600000000 ] - [ 0.0002781400000000, -0.0002159900000000, -0.0001779400000000 ] - [ 0.0002853400000000, -0.0002274600000000, -0.0001426100000000 ] - [ 0.0000000000000000, -0.0000633300000000, 0.0000232800000000 ] - [ 0.0000000000000000, -0.0278441100000000, 0.0185624200000000 ] - [ 0.0000000000000000, -0.0002657700000000, -0.0002000200000000 ] - [ 0.0000000000000000, 0.0000350200000000, 0.0004622600000000 ] - [ 0.0000000000000000, 0.0021297900000000, 0.0007430500000000 ] - [ 0.0000000000000000, -0.0001296300000000, -0.0000645300000000 ] - [ 0.0000000000000000, 0.0282933700000000, 0.0705496400000000 ] - [ 0.0000000000000000, 0.0001443200000000, -0.0001703800000000 ] - [ 0.0000000000000000, 0.0036243700000000, -0.2468008200000000 ] - [ 0.0000000000000000, 0.0003190400000000, -0.0001261900000000 ] - [ 0.0000000000000000, -0.0001104200000000, 0.0008801300000000 ] - [ 0.0000000000000000, -0.0001252000000000, -0.0001823600000000 ] - [ 0.0000000000000000, 0.0004254500000000, 0.0002723300000000 ] - [ 0.0000000000000000, 0.0003293000000000, 0.0002750500000000 ] - [ 0.0000000000000000, -0.0001760400000000, 0.0001636100000000 ] - [ 0.0000000000000000, 0.0059120500000000, -0.0012806300000000 ] - [ -0.0001183300000000, 0.0001884600000000, 0.0005216300000000 ] - [ 0.0001262100000000, -0.0000428900000000, -0.0000297800000000 ] - [ 0.0000290800000000, -0.0000695100000000, 0.0000721700000000 ] - [ -0.0000007300000000, 0.0000091600000000, -0.0000215300000000 ] - [ 0.0001183300000000, 0.0001884600000000, 0.0005216300000000 ] - [ -0.0001262100000000, -0.0000428900000000, -0.0000297800000000 ] - [ -0.0000290800000000, -0.0000695100000000, 0.0000721700000000 ] - [ 0.0000007300000000, 0.0000091600000000, -0.0000215300000000 ] - [ 0.0000000000000000, -0.0002435600000000, -0.0000062100000000 ] - [ 0.0000000000000000, -0.0001097300000000, 0.0001250100000000 ] - [ 0.0000000000000000, 0.0001589600000000, 0.0002156300000000 ] - [ 0.0000000000000000, 0.0001273800000000, 0.0001289600000000 ] - [ 0.0000000000000000, -0.0001039700000000, -0.0001522400000000 ] - [ 0.0000000000000000, -0.0004208700000000, -0.0001658500000000 ] - [ 0.0000000000000000, 0.0000092700000000, -0.0001648800000000 ] - [ 0.0000000000000000, 0.0001098900000000, -0.0000787000000000 ] - [ 0.0000000000000000, 0.0002797900000000, -0.0001790600000000 ] - [ 0.0000000000000000, 0.0002331900000000, -0.0001804800000000 ] - [ 0.0000000000000000, -0.0002619600000000, -0.0001272900000000 ] - [ 0.0000000000000000, -0.0002695200000000, -0.0000983800000000 ] - [ 0.0000000000000000, 0.0004940500000000, 0.0004332200000000 ] - [ 0.0000000000000000, 0.0002714600000000, 0.0001499000000000 ] - [ 0.0000000000000000, -0.0002850600000000, 0.0001171000000000 ] - [ 0.0000000000000000, -0.0002435300000000, 0.0001420700000000 ] - [ 0.0000758500000000, 0.0000095100000000, 0.0000075700000000 ] - [ 0.0001852600000000, -0.0000306800000000, 0.0001650700000000 ] - [ -0.0000267500000000, 0.0000520700000000, 0.0000082000000000 ] - [ -0.0118378100000000, 0.0141687900000000, 0.0159963000000000 ] - [ -0.0000758500000000, 0.0000095100000000, 0.0000075700000000 ] - [ -0.0001852600000000, -0.0000306800000000, 0.0001650700000000 ] - [ 0.0000267500000000, 0.0000520700000000, 0.0000082000000000 ] - [ 0.0118378100000000, 0.0141687900000000, 0.0159963000000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0081185200000000, -0.0141658300000000 ] - [ 0.0000000000000000, 0.0000397600000000, 0.0000751000000000 ] - [ 0.0000000000000000, 0.0013812000000000, -0.0011733800000000 ] - [ 0.0000000000000000, 0.0000868400000000, -0.0000543200000000 ] - [ 0.0000000000000000, 0.0000932200000000, -0.0001516400000000 ] - [ 0.0000000000000000, 0.0009195400000000, -0.0010328200000000 ] - [ 0.0000000000000000, 0.0000658600000000, 0.0000154400000000 ] - [ 0.0000000000000000, 0.0010579800000000, 0.0002485500000000 ] - [ 0.0001203800000000, 0.0000242400000000, 0.0000561300000000 ] - [ 0.0002778200000000, -0.0000120700000000, 0.0000024300000000 ] - [ -0.0002816700000000, -0.0002704100000000, -0.0001504200000000 ] - [ -0.0001562400000000, 0.0000135800000000, 0.0000093700000000 ] - [ -0.0001203800000000, 0.0000242400000000, 0.0000561300000000 ] - [ -0.0002778200000000, -0.0000120700000000, 0.0000024300000000 ] - [ 0.0002816700000000, -0.0002704100000000, -0.0001504200000000 ] - [ 0.0001562400000000, 0.0000135800000000, 0.0000093700000000 ] - [ -0.0003130100000000, 0.0002750800000000, 0.0001596800000000 ] - [ -0.0003704700000000, 0.0017310700000000, 0.0000391300000000 ] - [ 0.0002987600000000, -0.0002010900000000, 0.0002220500000000 ] - [ 0.0003055800000000, -0.0002381300000000, 0.0001695600000000 ] - [ 0.0005058100000000, 0.0006201800000000, -0.0000933400000000 ] - [ 0.0002977700000000, 0.0002497600000000, -0.0001584700000000 ] - [ 0.0196559700000000, 0.0092529000000000, -0.0260690700000000 ] - [ -0.0002604700000000, -0.0002126900000000, -0.0001723300000000 ] - [ 0.0001841200000000, -0.0002200800000000, 0.0000770900000000 ] - [ 0.0002074400000000, -0.0002040400000000, 0.0001838700000000 ] - [ -0.0001671500000000, 0.0001559500000000, 0.0003676800000000 ] - [ -0.0002094100000000, 0.0002134300000000, 0.0001662900000000 ] - [ -0.0000317200000000, -0.0000911600000000, -0.0000751300000000 ] - [ -0.0002277500000000, -0.0001960500000000, -0.0001769500000000 ] - [ 0.0002099700000000, 0.0001880500000000, -0.0002025700000000 ] - [ 0.0002083500000000, 0.0002090700000000, -0.0001910400000000 ] - [ -0.0002099700000000, 0.0001880500000000, -0.0002025700000000 ] - [ -0.0002083500000000, 0.0002090700000000, -0.0001910400000000 ] - [ 0.0000317200000000, -0.0000911600000000, -0.0000751300000000 ] - [ 0.0002277500000000, -0.0001960500000000, -0.0001769500000000 ] - [ 0.0001671500000000, 0.0001559500000000, 0.0003676800000000 ] - [ 0.0002094100000000, 0.0002134300000000, 0.0001662900000000 ] - [ -0.0001841200000000, -0.0002200800000000, 0.0000770900000000 ] - [ -0.0002074400000000, -0.0002040400000000, 0.0001838700000000 ] - [ 0.0003130100000000, 0.0002750800000000, 0.0001596800000000 ] - [ 0.0003704700000000, 0.0017310700000000, 0.0000391300000000 ] - [ -0.0002987600000000, -0.0002010900000000, 0.0002220500000000 ] - [ -0.0003055800000000, -0.0002381300000000, 0.0001695600000000 ] - [ -0.0005058100000000, 0.0006201800000000, -0.0000933400000000 ] - [ -0.0002977700000000, 0.0002497600000000, -0.0001584700000000 ] - [ -0.0196559700000000, 0.0092529000000000, -0.0260690700000000 ] - [ 0.0002604700000000, -0.0002126900000000, -0.0001723300000000 ] - [ 0.0000000000000000, -0.0000443200000000, -0.0000104400000000 ] - [ 0.0000000000000000, -0.0000859700000000, -0.0000817300000000 ] - [ 0.0000000000000000, -0.0000044300000000, 0.0000449100000000 ] - [ 0.0000000000000000, -0.0000416000000000, 0.0000591100000000 ] - [ 0.0000000000000000, 0.0000395300000000, -0.0000682300000000 ] - [ 0.0000000000000000, -0.0000022000000000, -0.0000217400000000 ] - [ 0.0000000000000000, 0.0000371600000000, 0.0000844000000000 ] - [ 0.0000000000000000, 0.0000395400000000, 0.0000077600000000 ] - [ 0.0002434000000000, 0.0000213000000000, -0.0000037000000000 ] - [ 0.0002171300000000, 0.0000229000000000, 0.0000406300000000 ] - [ -0.0001824300000000, 0.0000022000000000, -0.0000007900000000 ] - [ -0.0000018100000000, 0.0006433900000000, 0.0005018200000000 ] - [ -0.0002434000000000, 0.0000213000000000, -0.0000037000000000 ] - [ -0.0002171300000000, 0.0000229000000000, 0.0000406300000000 ] - [ 0.0001824300000000, 0.0000022000000000, -0.0000007900000000 ] - [ 0.0000018100000000, 0.0006433900000000, 0.0005018200000000 ] - [ -0.0002831500000000, 0.0001768500000000, 0.0002536800000000 ] - [ -0.0002735300000000, 0.0002406000000000, 0.0001570300000000 ] - [ 0.0002372000000000, -0.0001915700000000, 0.0001672800000000 ] - [ 0.0002743500000000, -0.0002292900000000, 0.0001692200000000 ] - [ 0.0002761200000000, 0.0002378800000000, -0.0001551600000000 ] - [ 0.0002634700000000, 0.0002462500000000, -0.0001563000000000 ] - [ -0.0002732300000000, -0.0002529700000000, -0.0001516100000000 ] - [ -0.0002658900000000, -0.0002416700000000, -0.0001860900000000 ] - [ 0.0002110900000000, -0.0002023300000000, 0.0001907700000000 ] - [ -0.0003418700000000, -0.0023735000000000, -0.0019259900000000 ] - [ -0.0001841300000000, 0.0001259000000000, 0.0003655000000000 ] - [ -0.0002013700000000, 0.0002048100000000, 0.0001813700000000 ] - [ -0.0002032200000000, -0.0002012000000000, -0.0001849600000000 ] - [ -0.0001923400000000, -0.0002462700000000, -0.0001467600000000 ] - [ 0.0211787100000000, 0.0132430600000000, -0.0264821000000000 ] - [ 0.0001975000000000, 0.0002076100000000, -0.0001801200000000 ] - [ -0.0211787100000000, 0.0132430600000000, -0.0264821000000000 ] - [ -0.0001975000000000, 0.0002076100000000, -0.0001801200000000 ] - [ 0.0002032200000000, -0.0002012000000000, -0.0001849600000000 ] - [ 0.0001923400000000, -0.0002462700000000, -0.0001467600000000 ] - [ 0.0001841300000000, 0.0001259000000000, 0.0003655000000000 ] - [ 0.0002013700000000, 0.0002048100000000, 0.0001813700000000 ] - [ -0.0002110900000000, -0.0002023300000000, 0.0001907700000000 ] - [ 0.0003418700000000, -0.0023735000000000, -0.0019259900000000 ] - [ 0.0002831500000000, 0.0001768500000000, 0.0002536800000000 ] - [ 0.0002735300000000, 0.0002406000000000, 0.0001570300000000 ] - [ -0.0002372000000000, -0.0001915700000000, 0.0001672800000000 ] - [ -0.0002743500000000, -0.0002292900000000, 0.0001692200000000 ] - [ -0.0002761200000000, 0.0002378800000000, -0.0001551600000000 ] - [ -0.0002634700000000, 0.0002462500000000, -0.0001563000000000 ] - [ 0.0002732300000000, -0.0002529700000000, -0.0001516100000000 ] - [ 0.0002658900000000, -0.0002416700000000, -0.0001860900000000 ] - [ 0.0000000000000000, -0.0001664000000000, 0.0002265500000000 ] - [ 0.0000000000000000, 0.0278202600000000, -0.0184181800000000 ] - [ 0.0000000000000000, 0.0004960900000000, 0.0004618800000000 ] - [ 0.0000000000000000, 0.0001962100000000, -0.0002039700000000 ] - [ 0.0000000000000000, -0.0024460500000000, -0.0009593300000000 ] - [ 0.0000000000000000, -0.0000996400000000, -0.0001873300000000 ] - [ 0.0000000000000000, -0.0273170700000000, -0.0684759400000000 ] - [ 0.0000000000000000, 0.0000873800000000, -0.0000816700000000 ] - [ 0.0000000000000000, -0.0043233200000000, 0.2441124300000000 ] - [ 0.0000000000000000, 0.0001906600000000, -0.0001674000000000 ] - [ 0.0000000000000000, -0.0003877600000000, -0.0011777400000000 ] - [ 0.0000000000000000, -0.0003858100000000, -0.0001090800000000 ] - [ 0.0000000000000000, 0.0000892100000000, 0.0000162300000000 ] - [ 0.0000000000000000, 0.0001748300000000, 0.0000187000000000 ] - [ 0.0000000000000000, -0.0003312400000000, 0.0001297800000000 ] - [ 0.0000000000000000, -0.0062849300000000, 0.0015306700000000 ] - [ 0.0002169100000000, -0.0001885700000000, -0.0005216800000000 ] - [ -0.0000249200000000, 0.0000448500000000, 0.0000295500000000 ] - [ -0.0001275300000000, 0.0000715500000000, -0.0000714800000000 ] - [ -0.0000982400000000, -0.0000091900000000, 0.0000207400000000 ] - [ -0.0002169100000000, -0.0001885700000000, -0.0005216800000000 ] - [ 0.0000249200000000, 0.0000448500000000, 0.0000295500000000 ] - [ 0.0001275300000000, 0.0000715500000000, -0.0000714800000000 ] - [ 0.0000982400000000, -0.0000091900000000, 0.0000207400000000 ] - [ 0.0000000000000000, 0.0000116600000000, 0.0002559200000000 ] - [ 0.0000000000000000, -0.0001210700000000, 0.0001259800000000 ] - [ 0.0000000000000000, 0.0000716300000000, 0.0000425200000000 ] - [ 0.0000000000000000, 0.0001031900000000, 0.0001235900000000 ] - [ 0.0000000000000000, -0.0001255900000000, -0.0000994900000000 ] - [ 0.0000000000000000, 0.0001874000000000, -0.0000895000000000 ] - [ 0.0000000000000000, 0.0002231900000000, -0.0000868000000000 ] - [ 0.0000000000000000, 0.0001207200000000, -0.0001712800000000 ] - [ 0.0000000000000000, 0.0002347800000000, -0.0001130800000000 ] - [ 0.0000000000000000, 0.0002750900000000, -0.0001142000000000 ] - [ 0.0000000000000000, -0.0002464200000000, -0.0001645600000000 ] - [ 0.0000000000000000, -0.0002408500000000, -0.0001923300000000 ] - [ 0.0000000000000000, 0.0000159900000000, -0.0001397600000000 ] - [ 0.0000000000000000, 0.0002381600000000, 0.0001429800000000 ] - [ 0.0000000000000000, -0.0002320400000000, 0.0001750800000000 ] - [ 0.0000000000000000, -0.0002651700000000, 0.0001514200000000 ] - [ 0.0000245000000000, -0.0000088000000000, -0.0000070300000000 ] - [ -0.0000748600000000, 0.0000301600000000, -0.0001664100000000 ] - [ -0.0000716100000000, -0.0000516600000000, -0.0000082500000000 ] - [ 0.0115934300000000, -0.0141232100000000, -0.0160617200000000 ] - [ -0.0000245000000000, -0.0000088000000000, -0.0000070300000000 ] - [ 0.0000748600000000, 0.0000301600000000, -0.0001664100000000 ] - [ 0.0000716100000000, -0.0000516600000000, -0.0000082500000000 ] - [ -0.0115934300000000, -0.0141232100000000, -0.0160617200000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007354900000000, 0.0001602800000000, -0.0002549300000000 ] - [ 0.0000016300000000, -0.0001244100000000, -0.0000811700000000 ] - [ -0.0007452100000000, -0.0002585200000000, -0.0001869900000000 ] - [ 0.0000021200000000, -0.0000568600000000, 0.0001343100000000 ] - [ -0.0007452100000000, 0.0002585200000000, 0.0001869900000000 ] - [ 0.0000021200000000, 0.0000568600000000, -0.0001343100000000 ] - [ -0.0007354900000000, -0.0001602800000000, 0.0002549300000000 ] - [ 0.0000016300000000, 0.0001244100000000, 0.0000811700000000 ] - [ 0.0660673600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003836300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0010869500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000603900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0028484100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003781700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004501900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000624200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002509000000000, 0.0001730700000000, 0.0001419300000000 ] - [ -0.0003311700000000, 0.0003110800000000, 0.0001443700000000 ] - [ 0.0040318000000000, -0.0006163800000000, -0.0003175800000000 ] - [ 0.0002684500000000, -0.0002346800000000, 0.0001574100000000 ] - [ 0.0040318000000000, 0.0006163800000000, 0.0003175800000000 ] - [ 0.0002684500000000, 0.0002346800000000, -0.0001574100000000 ] - [ -0.0002509000000000, -0.0001730700000000, -0.0001419300000000 ] - [ -0.0003311700000000, -0.0003110800000000, -0.0001443700000000 ] - [ 0.0001795800000000, -0.0002674900000000, 0.0001611700000000 ] - [ 0.0002070000000000, -0.0002117900000000, 0.0001895300000000 ] - [ 0.0010193200000000, 0.0004268000000000, -0.0005624500000000 ] - [ -0.0002012200000000, 0.0001950500000000, 0.0001842800000000 ] - [ 0.0010193200000000, -0.0004268000000000, 0.0005624500000000 ] - [ -0.0002012200000000, -0.0001950500000000, -0.0001842800000000 ] - [ 0.0001795800000000, 0.0002674900000000, -0.0001611700000000 ] - [ 0.0002070000000000, 0.0002117900000000, -0.0001895300000000 ] - [ -0.0004593600000000, -0.0002064300000000, 0.0001206600000000 ] - [ -0.0002069200000000, 0.0002117000000000, -0.0001907800000000 ] - [ 0.0040403200000000, 0.0002861300000000, -0.0004725400000000 ] - [ 0.0001984000000000, -0.0001959900000000, -0.0001818200000000 ] - [ 0.0040403200000000, -0.0002861300000000, 0.0004725400000000 ] - [ 0.0001984000000000, 0.0001959900000000, 0.0001818200000000 ] - [ -0.0004593600000000, 0.0002064300000000, -0.0001206600000000 ] - [ -0.0002069200000000, -0.0002117000000000, 0.0001907800000000 ] - [ 0.0001908600000000, 0.0002280100000000, 0.0001297900000000 ] - [ 0.0003086200000000, 0.0003123700000000, 0.0001381000000000 ] - [ 0.0009628700000000, 0.0005390800000000, 0.0003986600000000 ] - [ -0.0002680400000000, -0.0002314100000000, 0.0001528000000000 ] - [ 0.0009628700000000, -0.0005390800000000, -0.0003986600000000 ] - [ -0.0002680400000000, 0.0002314100000000, -0.0001528000000000 ] - [ 0.0001908600000000, -0.0002280100000000, -0.0001297900000000 ] - [ 0.0003086200000000, -0.0003123700000000, -0.0001381000000000 ] - [ -0.0000408000000000, 0.0001080000000000, 0.0000944900000000 ] - [ -0.0000020700000000, -0.0001088300000000, -0.0001236000000000 ] - [ -0.0000980000000000, 0.0003273800000000, 0.0001097700000000 ] - [ 0.0000029800000000, -0.0000879400000000, 0.0001039700000000 ] - [ -0.0000980000000000, -0.0003273800000000, -0.0001097700000000 ] - [ 0.0000029800000000, 0.0000879400000000, -0.0001039700000000 ] - [ -0.0000408000000000, -0.0001080000000000, -0.0000944900000000 ] - [ -0.0000020700000000, 0.0001088300000000, 0.0001236000000000 ] - [ -0.0001950600000000, -0.0000430400000000, 0.0000144800000000 ] - [ -0.0001950600000000, 0.0000430400000000, -0.0000144800000000 ] - [ -0.0005884700000000, 0.0000399100000000, 0.0000108100000000 ] - [ -0.0005884700000000, -0.0000399100000000, -0.0000108100000000 ] - [ 0.0005141100000000, -0.0002600800000000, 0.0001381800000000 ] - [ 0.0005141100000000, 0.0002600800000000, -0.0001381800000000 ] - [ 0.0006098100000000, 0.0000464800000000, 0.0000027500000000 ] - [ 0.0006098100000000, -0.0000464800000000, -0.0000027500000000 ] - [ -0.0003202900000000, 0.0003150100000000, 0.0002046900000000 ] - [ -0.0002783300000000, 0.0002430500000000, 0.0001773500000000 ] - [ 0.0003189300000000, -0.0002887100000000, 0.0002026500000000 ] - [ 0.0002191400000000, -0.0001705000000000, 0.0001896500000000 ] - [ 0.0003189300000000, 0.0002887100000000, -0.0002026500000000 ] - [ 0.0002191400000000, 0.0001705000000000, -0.0001896500000000 ] - [ -0.0003202900000000, -0.0003150100000000, -0.0002046900000000 ] - [ -0.0002783300000000, -0.0002430500000000, -0.0001773500000000 ] - [ 0.0001351900000000, -0.0001676600000000, 0.0001916100000000 ] - [ 0.0002244100000000, -0.0001786000000000, 0.0002530000000000 ] - [ -0.0002612300000000, 0.0002502100000000, 0.0002567600000000 ] - [ -0.0001787200000000, 0.0002239200000000, 0.0001823700000000 ] - [ -0.0002612300000000, -0.0002502100000000, -0.0002567600000000 ] - [ -0.0001787200000000, -0.0002239200000000, -0.0001823700000000 ] - [ 0.0001351900000000, 0.0001676600000000, -0.0001916100000000 ] - [ 0.0002244100000000, 0.0001786000000000, -0.0002530000000000 ] - [ -0.0002098200000000, 0.0002088700000000, -0.0002014400000000 ] - [ -0.0002317600000000, 0.0001524400000000, -0.0001873300000000 ] - [ 0.0001679300000000, -0.0001670900000000, -0.0001550300000000 ] - [ 0.0000710500000000, -0.0003364200000000, -0.0001529000000000 ] - [ 0.0001679300000000, 0.0001670900000000, 0.0001550300000000 ] - [ 0.0000710500000000, 0.0003364200000000, 0.0001529000000000 ] - [ -0.0002098200000000, -0.0002088700000000, 0.0002014400000000 ] - [ -0.0002317600000000, -0.0001524400000000, 0.0001873300000000 ] - [ 0.0001122000000000, 0.0001694700000000, 0.0002397400000000 ] - [ 0.0002796600000000, 0.0002436100000000, 0.0001760800000000 ] - [ -0.0005220100000000, -0.0000652800000000, -0.0003093700000000 ] - [ -0.0002603600000000, -0.0000900500000000, 0.0002307900000000 ] - [ -0.0005220100000000, 0.0000652800000000, 0.0003093700000000 ] - [ -0.0002603600000000, 0.0000900500000000, -0.0002307900000000 ] - [ 0.0001122000000000, -0.0001694700000000, -0.0002397400000000 ] - [ 0.0002796600000000, -0.0002436100000000, -0.0001760800000000 ] - [ -0.0002015200000000, 0.0000606900000000, -0.0003783300000000 ] - [ 0.0001027700000000, -0.0001775400000000, 0.0003243000000000 ] - [ 0.0427926100000000, 0.0114555600000000, 0.0239195100000000 ] - [ 0.0000063300000000, 0.0001023900000000, 0.0000687200000000 ] - [ 0.0427926100000000, -0.0114555600000000, -0.0239195100000000 ] - [ 0.0000063300000000, -0.0001023900000000, -0.0000687200000000 ] - [ -0.0002015200000000, -0.0000606900000000, 0.0003783300000000 ] - [ 0.0001027700000000, 0.0001775400000000, -0.0003243000000000 ] - [ -0.0000662100000000, -0.0001981300000000, -0.0003142500000000 ] - [ -0.0000320000000000, 0.0003788700000000, -0.0000704700000000 ] - [ 0.0428803300000000, -0.0240583000000000, 0.0113494800000000 ] - [ 0.0000028400000000, -0.0001916500000000, -0.0001696600000000 ] - [ 0.0428803300000000, 0.0240583000000000, -0.0113494800000000 ] - [ 0.0000028400000000, 0.0001916500000000, 0.0001696600000000 ] - [ -0.0000662100000000, 0.0001981300000000, 0.0003142500000000 ] - [ -0.0000320000000000, -0.0003788700000000, 0.0000704700000000 ] - [ -0.2613509200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001047100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0015117500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001934000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0092950300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000943900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004586100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001909000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003493600000000, -0.0000472900000000, 0.0005640000000000 ] - [ -0.0000005400000000, -0.0001247300000000, 0.0001907000000000 ] - [ 0.0006248200000000, 0.0003456300000000, -0.0001234500000000 ] - [ 0.0000170900000000, 0.0001025800000000, 0.0000170500000000 ] - [ 0.0006248200000000, -0.0003456300000000, 0.0001234500000000 ] - [ 0.0000170900000000, -0.0001025800000000, -0.0000170500000000 ] - [ 0.0003493600000000, 0.0000472900000000, -0.0005640000000000 ] - [ -0.0000005400000000, 0.0001247300000000, -0.0001907000000000 ] - [ 0.0006669700000000, -0.0001172700000000, -0.0000140700000000 ] - [ -0.0000031700000000, 0.0003126400000000, -0.0001213200000000 ] - [ 0.0003634800000000, -0.0008183200000000, -0.0002250400000000 ] - [ -0.0000269200000000, -0.0002091500000000, -0.0001945900000000 ] - [ 0.0003634800000000, 0.0008183200000000, 0.0002250400000000 ] - [ -0.0000269200000000, 0.0002091500000000, 0.0001945900000000 ] - [ 0.0006669700000000, 0.0001172700000000, 0.0000140700000000 ] - [ -0.0000031700000000, -0.0003126400000000, 0.0001213200000000 ] - [ 0.0003385300000000, 0.0000421800000000, 0.0000369400000000 ] - [ 0.0003385300000000, -0.0000421800000000, -0.0000369400000000 ] - [ 0.0003285400000000, -0.0000043900000000, 0.0000169600000000 ] - [ 0.0003285400000000, 0.0000043900000000, -0.0000169600000000 ] - [ -0.0008373200000000, -0.0006538100000000, -0.0003149400000000 ] - [ -0.0008373200000000, 0.0006538100000000, 0.0003149400000000 ] - [ -0.0003577700000000, 0.0000783500000000, 0.0001871700000000 ] - [ -0.0003577700000000, -0.0000783500000000, -0.0001871700000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007698500000000, -0.0001811900000000, 0.0003100200000000 ] - [ -0.0000019700000000, 0.0000802500000000, 0.0000982200000000 ] - [ 0.0007791200000000, 0.0003376200000000, 0.0001837100000000 ] - [ -0.0000023600000000, 0.0000982900000000, -0.0001134500000000 ] - [ 0.0007791200000000, -0.0003376200000000, -0.0001837100000000 ] - [ -0.0000023600000000, -0.0000982900000000, 0.0001134500000000 ] - [ 0.0007698500000000, 0.0001811900000000, -0.0003100200000000 ] - [ -0.0000019700000000, -0.0000802500000000, -0.0000982200000000 ] - [ -0.0625646700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000530000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0015070600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003707700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0024739300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000586300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008775100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003688400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002976200000000, 0.0002992800000000, 0.0001868800000000 ] - [ -0.0002188000000000, 0.0001610000000000, 0.0001844200000000 ] - [ -0.0034250900000000, 0.0000510500000000, 0.0006175000000000 ] - [ 0.0002796100000000, -0.0002366200000000, 0.0001717600000000 ] - [ -0.0034250900000000, -0.0000510500000000, -0.0006175000000000 ] - [ 0.0002796100000000, 0.0002366200000000, -0.0001717600000000 ] - [ -0.0002976200000000, -0.0002992800000000, -0.0001868800000000 ] - [ -0.0002188000000000, -0.0001610000000000, -0.0001844200000000 ] - [ 0.0002256900000000, -0.0001406500000000, 0.0002071400000000 ] - [ 0.0001984200000000, -0.0001969900000000, 0.0001809000000000 ] - [ -0.0014562100000000, -0.0000319800000000, 0.0009663500000000 ] - [ -0.0002041600000000, 0.0002132400000000, 0.0001862000000000 ] - [ -0.0014562100000000, 0.0000319800000000, -0.0009663500000000 ] - [ -0.0002041600000000, -0.0002132400000000, -0.0001862000000000 ] - [ 0.0002256900000000, 0.0001406500000000, -0.0002071400000000 ] - [ 0.0001984200000000, 0.0001969900000000, -0.0001809000000000 ] - [ 0.0000487500000000, 0.0006124800000000, -0.0004958100000000 ] - [ -0.0001980500000000, 0.0001971900000000, -0.0001794200000000 ] - [ -0.0035775100000000, -0.0006659900000000, 0.0000074200000000 ] - [ 0.0002065000000000, -0.0002125900000000, -0.0001882500000000 ] - [ -0.0035775100000000, 0.0006659900000000, -0.0000074200000000 ] - [ 0.0002065000000000, 0.0002125900000000, 0.0001882500000000 ] - [ 0.0000487500000000, -0.0006124800000000, 0.0004958100000000 ] - [ -0.0001980500000000, -0.0001971900000000, 0.0001794200000000 ] - [ 0.0003545500000000, 0.0002380200000000, 0.0001964400000000 ] - [ 0.0002396600000000, 0.0001613700000000, 0.0001900200000000 ] - [ -0.0015426000000000, -0.0010440800000000, -0.0000824300000000 ] - [ -0.0002803700000000, -0.0002402100000000, 0.0001762000000000 ] - [ -0.0015426000000000, 0.0010440800000000, 0.0000824300000000 ] - [ -0.0002803700000000, 0.0002402100000000, -0.0001762000000000 ] - [ 0.0003545500000000, -0.0002380200000000, -0.0001964400000000 ] - [ 0.0002396600000000, -0.0001613700000000, -0.0001900200000000 ] - [ 0.0000404100000000, -0.0001487900000000, -0.0000744000000000 ] - [ 0.0000023200000000, 0.0000647900000000, 0.0001401800000000 ] - [ 0.0000950900000000, -0.0002777100000000, -0.0000883700000000 ] - [ -0.0000025900000000, 0.0001297800000000, -0.0000846700000000 ] - [ 0.0000950900000000, 0.0002777100000000, 0.0000883700000000 ] - [ -0.0000025900000000, -0.0001297800000000, 0.0000846700000000 ] - [ 0.0000404100000000, 0.0001487900000000, 0.0000744000000000 ] - [ 0.0000023200000000, -0.0000647900000000, -0.0001401800000000 ] - [ 0.0006238500000000, 0.0000433200000000, -0.0000142200000000 ] - [ 0.0006238500000000, -0.0000433200000000, 0.0000142200000000 ] - [ 0.0001478900000000, -0.0000393200000000, -0.0000107000000000 ] - [ 0.0001478900000000, 0.0000393200000000, 0.0000107000000000 ] - [ -0.0009393200000000, 0.0002640600000000, -0.0001388400000000 ] - [ -0.0009393200000000, -0.0002640600000000, 0.0001388400000000 ] - [ -0.0001681800000000, -0.0000460900000000, -0.0000025600000000 ] - [ -0.0001681800000000, 0.0000460900000000, 0.0000025600000000 ] - [ -0.0002278300000000, 0.0001578700000000, 0.0001251900000000 ] - [ -0.0002699300000000, 0.0002284800000000, 0.0001522400000000 ] - [ 0.0002307100000000, -0.0001823400000000, 0.0001253200000000 ] - [ 0.0003290900000000, -0.0002994100000000, 0.0001398100000000 ] - [ 0.0002307100000000, 0.0001823400000000, -0.0001253200000000 ] - [ 0.0003290900000000, 0.0002994100000000, -0.0001398100000000 ] - [ -0.0002278300000000, -0.0001578700000000, -0.0001251900000000 ] - [ -0.0002699300000000, -0.0002284800000000, -0.0001522400000000 ] - [ 0.0002666900000000, -0.0002395600000000, 0.0001756300000000 ] - [ 0.0001805900000000, -0.0002285300000000, 0.0001173100000000 ] - [ -0.0001442300000000, 0.0001589100000000, 0.0001146800000000 ] - [ -0.0002253700000000, 0.0001859800000000, 0.0001876600000000 ] - [ -0.0001442300000000, -0.0001589100000000, -0.0001146800000000 ] - [ -0.0002253700000000, -0.0001859800000000, -0.0001876600000000 ] - [ 0.0002666900000000, 0.0002395600000000, -0.0001756300000000 ] - [ 0.0001805900000000, 0.0002285300000000, -0.0001173100000000 ] - [ -0.0001965600000000, 0.0001996100000000, -0.0001703800000000 ] - [ -0.0001737300000000, 0.0002567300000000, -0.0001834800000000 ] - [ 0.0002370700000000, -0.0002417600000000, -0.0002151700000000 ] - [ 0.0003330600000000, -0.0000736100000000, -0.0002169600000000 ] - [ 0.0002370700000000, 0.0002417600000000, 0.0002151700000000 ] - [ 0.0003330600000000, 0.0000736100000000, 0.0002169600000000 ] - [ -0.0001965600000000, -0.0001996100000000, 0.0001703800000000 ] - [ -0.0001737300000000, -0.0002567300000000, 0.0001834800000000 ] - [ 0.0004344200000000, 0.0003014100000000, 0.0000905300000000 ] - [ 0.0002688300000000, 0.0002279000000000, 0.0001534800000000 ] - [ -0.0000324800000000, -0.0004126600000000, 0.0006356600000000 ] - [ -0.0002876500000000, -0.0003796000000000, 0.0000990100000000 ] - [ -0.0000324800000000, 0.0004126600000000, -0.0006356600000000 ] - [ -0.0002876500000000, 0.0003796000000000, -0.0000990100000000 ] - [ 0.0004344200000000, -0.0003014100000000, -0.0000905300000000 ] - [ 0.0002688300000000, -0.0002279000000000, -0.0001534800000000 ] - [ 0.0002174200000000, -0.0002938500000000, 0.0006226800000000 ] - [ -0.0000996500000000, -0.0000538500000000, -0.0000690700000000 ] - [ -0.0437635000000000, -0.0116670300000000, -0.0245712500000000 ] - [ -0.0000051300000000, 0.0001266700000000, 0.0001834300000000 ] - [ -0.0437635000000000, 0.0116670300000000, 0.0245712500000000 ] - [ -0.0000051300000000, -0.0001266700000000, -0.0001834300000000 ] - [ 0.0002174200000000, 0.0002938500000000, -0.0006226800000000 ] - [ -0.0000996500000000, 0.0000538500000000, 0.0000690700000000 ] - [ 0.0000821400000000, 0.0006964900000000, 0.0000226000000000 ] - [ 0.0000352500000000, 0.0001321800000000, -0.0002214200000000 ] - [ -0.0438501700000000, 0.0244556700000000, -0.0120810900000000 ] - [ -0.0000016500000000, -0.0003150300000000, -0.0001244400000000 ] - [ -0.0438501700000000, -0.0244556700000000, 0.0120810900000000 ] - [ -0.0000016500000000, 0.0003150300000000, 0.0001244400000000 ] - [ 0.0000821400000000, -0.0006964900000000, -0.0000226000000000 ] - [ 0.0000352500000000, -0.0001321800000000, 0.0002214200000000 ] - [ 0.2620211800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002003700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0013970300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000921900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0095319600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001867100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003528400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000941000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003456500000000, -0.0001820900000000, -0.0003040000000000 ] - [ -0.0000004700000000, -0.0001053000000000, 0.0000620900000000 ] - [ -0.0006186900000000, -0.0001105100000000, 0.0003728000000000 ] - [ -0.0000159600000000, 0.0001267700000000, 0.0002335200000000 ] - [ -0.0006186900000000, 0.0001105100000000, -0.0003728000000000 ] - [ -0.0000159600000000, -0.0001267700000000, -0.0002335200000000 ] - [ -0.0003456500000000, 0.0001820900000000, 0.0003040000000000 ] - [ -0.0000004700000000, 0.0001053000000000, -0.0000620900000000 ] - [ -0.0006602400000000, 0.0006200300000000, -0.0002753500000000 ] - [ 0.0000019900000000, 0.0001946700000000, -0.0001723100000000 ] - [ -0.0003597200000000, 0.0003000500000000, -0.0000678700000000 ] - [ 0.0000278300000000, -0.0003016700000000, -0.0000972700000000 ] - [ -0.0003597200000000, -0.0003000500000000, 0.0000678700000000 ] - [ 0.0000278300000000, 0.0003016700000000, 0.0000972700000000 ] - [ -0.0006602400000000, -0.0006200300000000, 0.0002753500000000 ] - [ 0.0000019900000000, -0.0001946700000000, 0.0001723100000000 ] - [ -0.0002348900000000, -0.0000438600000000, -0.0000375900000000 ] - [ -0.0002348900000000, 0.0000438600000000, 0.0000375900000000 ] - [ -0.0004192100000000, 0.0000055300000000, -0.0000156500000000 ] - [ -0.0004192100000000, -0.0000055300000000, 0.0000156500000000 ] - [ 0.0007329600000000, 0.0006464900000000, 0.0003121900000000 ] - [ 0.0007329600000000, -0.0006464900000000, -0.0003121900000000 ] - [ 0.0004491400000000, -0.0000743200000000, -0.0001820800000000 ] - [ 0.0004491400000000, 0.0000743200000000, 0.0001820800000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004582000000000, 0.0002165800000000, 0.0009851800000000 ] - [ -0.0000021200000000, -0.0001261200000000, -0.0000929400000000 ] - [ -0.0000091400000000, 0.0016772600000000, -0.0011652200000000 ] - [ 0.0000069500000000, -0.0001316400000000, 0.0001132200000000 ] - [ 0.0000137500000000, 0.0016362800000000, -0.0011792000000000 ] - [ -0.0000066000000000, -0.0001719200000000, 0.0000966800000000 ] - [ -0.0004690900000000, 0.0002786300000000, 0.0009946900000000 ] - [ 0.0000023600000000, -0.0000848000000000, -0.0001088100000000 ] - [ 0.0001406800000000, 0.0147564800000000, -0.0004638200000000 ] - [ 0.0002153700000000, -0.0000254300000000, 0.0000032400000000 ] - [ -0.0002155000000000, 0.0002451900000000, 0.0005788500000000 ] - [ -0.0002142700000000, -0.0000317100000000, -0.0000062300000000 ] - [ -0.0002157900000000, 0.0002881900000000, -0.0000336200000000 ] - [ -0.0002155300000000, -0.0000173800000000, 0.0000042300000000 ] - [ 0.0002138200000000, 0.0000160400000000, 0.0000391600000000 ] - [ 0.0002146500000000, -0.0000346100000000, -0.0000083400000000 ] - [ -0.0003151600000000, 0.0002604400000000, 0.0001218300000000 ] - [ -0.0002105500000000, 0.0002069900000000, 0.0001500300000000 ] - [ 0.0014898400000000, 0.0419682900000000, 0.0119068500000000 ] - [ 0.0002969000000000, -0.0002598000000000, 0.0001349100000000 ] - [ -0.0012645000000000, 0.0451323500000000, 0.0125431200000000 ] - [ 0.0002543000000000, 0.0002096800000000, -0.0001947700000000 ] - [ -0.0002357700000000, -0.0002085600000000, -0.0002079700000000 ] - [ -0.0003413700000000, -0.0002631600000000, -0.0001794400000000 ] - [ 0.0002111200000000, -0.0002019900000000, 0.0001881300000000 ] - [ 0.0001949800000000, -0.0002100700000000, 0.0001753500000000 ] - [ 0.0009660900000000, 0.0009559000000000, 0.0000056200000000 ] - [ -0.0002201700000000, 0.0001906300000000, 0.0001977900000000 ] - [ -0.0013883100000000, 0.0005395700000000, -0.0003832400000000 ] - [ -0.0001874300000000, -0.0002182000000000, -0.0001705100000000 ] - [ 0.0001964800000000, 0.0002076200000000, -0.0001803700000000 ] - [ 0.0002127200000000, 0.0001993700000000, -0.0001931900000000 ] - [ -0.0002593300000000, 0.0001891500000000, -0.0001419300000000 ] - [ -0.0002139000000000, 0.0002012700000000, -0.0001945000000000 ] - [ 0.0001331800000000, 0.0118382900000000, -0.0127984800000000 ] - [ 0.0001879800000000, -0.0002101600000000, -0.0001666500000000 ] - [ 0.0002497300000000, 0.0121158900000000, -0.0120172900000000 ] - [ 0.0002197700000000, 0.0001992600000000, 0.0002014100000000 ] - [ -0.0001486400000000, -0.0002204600000000, 0.0002243900000000 ] - [ -0.0001933500000000, -0.0002083400000000, 0.0001737100000000 ] - [ 0.0002043200000000, 0.0003848300000000, 0.0000746700000000 ] - [ 0.0002877000000000, 0.0002533700000000, 0.0001785100000000 ] - [ 0.0029525200000000, 0.0008522500000000, 0.0003000800000000 ] - [ -0.0002953000000000, -0.0002669400000000, 0.0001558000000000 ] - [ -0.0035497000000000, 0.0013011300000000, -0.0000235300000000 ] - [ -0.0002556200000000, 0.0002025800000000, -0.0001736700000000 ] - [ 0.0003432200000000, -0.0000806600000000, -0.0002541400000000 ] - [ 0.0002630400000000, -0.0002169800000000, -0.0001507700000000 ] - [ -0.0000047700000000, 0.0000348300000000, 0.0000637800000000 ] - [ 0.0000028200000000, -0.0000943800000000, -0.0000490400000000 ] - [ -0.0000749600000000, 0.0002096600000000, 0.0000788700000000 ] - [ 0.0000031300000000, -0.0000494700000000, 0.0000710700000000 ] - [ 0.0000724700000000, 0.0001680100000000, 0.0000625600000000 ] - [ -0.0000030200000000, -0.0000899300000000, 0.0000545000000000 ] - [ 0.0000047800000000, 0.0000756500000000, 0.0000471400000000 ] - [ -0.0000027400000000, -0.0000536400000000, -0.0000645700000000 ] - [ 0.0002621200000000, 0.0000566700000000, -0.0000022200000000 ] - [ 0.0001675400000000, 0.0000554000000000, -0.0000022000000000 ] - [ -0.0003081400000000, 0.0000053300000000, -0.0000010100000000 ] - [ -0.0001234800000000, 0.0000052700000000, -0.0000010500000000 ] - [ 0.0003883500000000, -0.0002837800000000, 0.0001136000000000 ] - [ -0.0008069000000000, -0.0002841800000000, 0.0001132600000000 ] - [ 0.0002823600000000, -0.0000246700000000, -0.0000338100000000 ] - [ 0.0001503500000000, -0.0000246100000000, -0.0000334300000000 ] - [ -0.0002947100000000, 0.0002932300000000, 0.0001530600000000 ] - [ -0.0002627700000000, 0.0002131600000000, 0.0001777600000000 ] - [ 0.0002538200000000, -0.0002286800000000, 0.0001929700000000 ] - [ 0.0003017000000000, -0.0002448400000000, 0.0001629500000000 ] - [ 0.0002978300000000, 0.0002413800000000, -0.0001363400000000 ] - [ 0.0002492700000000, 0.0002243600000000, -0.0001668300000000 ] - [ -0.0002562700000000, -0.0001768000000000, -0.0001761800000000 ] - [ -0.0002880500000000, -0.0002563900000000, -0.0001518900000000 ] - [ -0.0001900600000000, -0.0001385100000000, -0.0002316100000000 ] - [ 0.0002501200000000, -0.0002074500000000, 0.0000377600000000 ] - [ -0.0002301400000000, 0.0001741400000000, 0.0002624500000000 ] - [ -0.0001807900000000, 0.0002233000000000, 0.0001902300000000 ] - [ -0.0001776200000000, -0.0002355400000000, -0.0001061400000000 ] - [ -0.0002259700000000, -0.0001865000000000, -0.0001780700000000 ] - [ 0.0005939400000000, 0.0002683200000000, -0.0005979300000000 ] - [ 0.0001575000000000, 0.0002018000000000, -0.0003323200000000 ] - [ -0.0002279900000000, 0.0002083200000000, -0.0002003600000000 ] - [ -0.0002231000000000, 0.0001973500000000, -0.0002285400000000 ] - [ 0.0002196800000000, -0.0001994000000000, -0.0002073800000000 ] - [ 0.0002073800000000, -0.0002017900000000, -0.0001665800000000 ] - [ 0.0001878200000000, 0.0002097500000000, 0.0001607800000000 ] - [ 0.0001991700000000, 0.0002086500000000, 0.0002019100000000 ] - [ -0.0001798900000000, -0.0002006600000000, 0.0001687500000000 ] - [ -0.0001847200000000, -0.0002119700000000, 0.0001398400000000 ] - [ 0.0002886700000000, 0.0002432700000000, 0.0001583900000000 ] - [ 0.0002643600000000, 0.0002153700000000, 0.0001761300000000 ] - [ -0.0001269300000000, -0.0003572600000000, 0.0002148800000000 ] - [ -0.0002558700000000, -0.0002108600000000, 0.0001669000000000 ] - [ -0.0004270700000000, 0.0001146200000000, -0.0001114800000000 ] - [ -0.0002947100000000, 0.0002570800000000, -0.0001634900000000 ] - [ 0.0002616400000000, -0.0002261500000000, -0.0001711000000000 ] - [ 0.0002868700000000, -0.0002544900000000, -0.0001533200000000 ] - [ -0.0000933700000000, 0.0001390200000000, 0.0002602300000000 ] - [ -0.0003132900000000, 0.0001255500000000, 0.0000516900000000 ] - [ 0.0183793700000000, 0.0160201900000000, 0.0142370900000000 ] - [ -0.0000239100000000, 0.0001716100000000, 0.0001813700000000 ] - [ -0.0183434400000000, 0.0159194500000000, 0.0140260900000000 ] - [ 0.0000228600000000, -0.0000593700000000, -0.0000720300000000 ] - [ 0.0000888300000000, 0.0003637700000000, 0.0000107100000000 ] - [ 0.0003165100000000, 0.0003587800000000, -0.0002019800000000 ] - [ -0.0006153000000000, 0.0000285500000000, 0.0000409300000000 ] - [ 0.0000288300000000, 0.0002793100000000, -0.0001899800000000 ] - [ -0.0385117400000000, 0.0384637500000000, -0.0144198100000000 ] - [ 0.0000081400000000, -0.0001021500000000, -0.0001984100000000 ] - [ 0.0377986700000000, 0.0382297300000000, -0.0138715700000000 ] - [ -0.0000093000000000, 0.0004053800000000, 0.0000945400000000 ] - [ 0.0006198200000000, -0.0004861500000000, 0.0003355600000000 ] - [ -0.0000288400000000, -0.0002282700000000, 0.0001027800000000 ] - [ 0.0012623800000000, -0.2400197700000000, 0.0000581400000000 ] - [ 0.0000490700000000, 0.0000831400000000, 0.0000121700000000 ] - [ -0.0000510200000000, 0.0000094800000000, 0.0002730800000000 ] - [ -0.0000489100000000, 0.0000367500000000, 0.0000036100000000 ] - [ -0.0000971900000000, -0.0029323800000000, 0.0000368400000000 ] - [ -0.0000504600000000, 0.0000279800000000, -0.0000145100000000 ] - [ 0.0000512700000000, 0.0000057800000000, 0.0000163500000000 ] - [ 0.0000506800000000, 0.0000255800000000, 0.0000037600000000 ] - [ 0.0000796800000000, -0.0000881300000000, 0.0000392800000000 ] - [ -0.0000037800000000, -0.0000727900000000, 0.0000939500000000 ] - [ -0.0000681400000000, 0.0002380100000000, 0.0000953800000000 ] - [ -0.0000496200000000, 0.0002015300000000, 0.0001215900000000 ] - [ 0.0000742700000000, 0.0000051100000000, -0.0001547800000000 ] - [ 0.0000503100000000, -0.0000291600000000, -0.0001313700000000 ] - [ -0.0000789000000000, 0.0001413300000000, -0.0002131200000000 ] - [ 0.0000051200000000, 0.0001581400000000, -0.0001588600000000 ] - [ -0.0000091100000000, 0.0001622000000000, -0.0001755000000000 ] - [ 0.0000041500000000, 0.0003257700000000, -0.0001377300000000 ] - [ -0.0000366000000000, -0.0004994400000000, -0.0000772900000000 ] - [ -0.0000047800000000, -0.0001946000000000, -0.0001556000000000 ] - [ 0.0000409400000000, 0.0000091300000000, 0.0002198700000000 ] - [ 0.0000049200000000, 0.0003132000000000, 0.0001375100000000 ] - [ 0.0000107600000000, -0.0003500000000000, 0.0001143900000000 ] - [ -0.0000028900000000, -0.0001817200000000, 0.0001564900000000 ] - [ 0.0000074700000000, 0.0000134400000000, -0.0000023800000000 ] - [ 0.0000924800000000, 0.0000131900000000, -0.0000024700000000 ] - [ -0.0000558200000000, 0.0000063400000000, 0.0000221200000000 ] - [ -0.0000443800000000, 0.0000059800000000, 0.0000224500000000 ] - [ -0.0007050800000000, -0.0000605800000000, -0.0000965800000000 ] - [ 0.0005946500000000, -0.0000531800000000, -0.0000941100000000 ] - [ -0.0000267100000000, 0.0000398600000000, 0.0005233400000000 ] - [ 0.0001258200000000, 0.0000331500000000, 0.0005153000000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000025100000000, 0.0009844800000000, 0.0014563000000000 ] - [ -0.0000004100000000, 0.0000438500000000, 0.0000660100000000 ] - [ -0.0004698400000000, -0.0009225900000000, 0.0002503200000000 ] - [ -0.0000016700000000, 0.0000538000000000, -0.0000714700000000 ] - [ 0.0004589300000000, -0.0009382900000000, 0.0002131100000000 ] - [ 0.0000019300000000, 0.0000132900000000, -0.0000888900000000 ] - [ 0.0000073200000000, 0.0010228400000000, 0.0014399600000000 ] - [ 0.0000007000000000, 0.0000852000000000, 0.0000502400000000 ] - [ 0.0001408700000000, -0.0004882100000000, 0.0147196000000000 ] - [ 0.0002152500000000, -0.0000073500000000, -0.0000004600000000 ] - [ -0.0002040100000000, -0.0002125600000000, -0.0005679600000000 ] - [ -0.0002142700000000, 0.0000216700000000, 0.0000055600000000 ] - [ -0.0002158500000000, -0.0000305500000000, 0.0002696900000000 ] - [ -0.0002152200000000, -0.0000023900000000, 0.0000000800000000 ] - [ 0.0002145000000000, -0.0000064400000000, 0.0001088200000000 ] - [ 0.0002146100000000, 0.0000172200000000, 0.0000025900000000 ] - [ -0.0002914400000000, 0.0002688400000000, 0.0001718100000000 ] - [ -0.0003008200000000, 0.0002586400000000, 0.0001515000000000 ] - [ 0.0003283000000000, 0.0120371100000000, 0.0121579200000000 ] - [ 0.0002701300000000, -0.0002195400000000, 0.0001507600000000 ] - [ 0.0001995300000000, 0.0129209900000000, 0.0119594300000000 ] - [ 0.0002808900000000, 0.0002497800000000, -0.0001786100000000 ] - [ -0.0002589900000000, -0.0002008400000000, -0.0001571300000000 ] - [ -0.0002509600000000, -0.0002115400000000, -0.0001782200000000 ] - [ 0.0001983400000000, -0.0001820500000000, 0.0001837100000000 ] - [ 0.0002041100000000, -0.0002033100000000, 0.0001856400000000 ] - [ -0.0034622100000000, 0.0000711400000000, 0.0012274800000000 ] - [ -0.0002000000000000, 0.0002014000000000, 0.0001799900000000 ] - [ 0.0030080200000000, -0.0003317200000000, 0.0008798900000000 ] - [ -0.0002074300000000, -0.0002080200000000, -0.0001883100000000 ] - [ 0.0002093700000000, 0.0002277400000000, -0.0001846000000000 ] - [ 0.0002034200000000, 0.0002059900000000, -0.0001828500000000 ] - [ -0.0000274700000000, 0.0002476500000000, -0.0003547900000000 ] - [ -0.0002042700000000, 0.0002060700000000, -0.0001844200000000 ] - [ 0.0014695600000000, -0.0118505200000000, 0.0418704700000000 ] - [ 0.0002092300000000, -0.0002032600000000, -0.0001888200000000 ] - [ -0.0013859600000000, -0.0124039200000000, 0.0449235100000000 ] - [ 0.0001984000000000, 0.0002062000000000, 0.0001793800000000 ] - [ -0.0003838700000000, -0.0001600000000000, 0.0000137900000000 ] - [ -0.0002028400000000, -0.0002034000000000, 0.0001837800000000 ] - [ 0.0006456500000000, 0.0006830400000000, 0.0002506800000000 ] - [ 0.0002462700000000, 0.0003472700000000, 0.0001378600000000 ] - [ 0.0008645200000000, -0.0000849700000000, 0.0008952800000000 ] - [ -0.0002698500000000, -0.0002244500000000, 0.0001630900000000 ] - [ -0.0014299700000000, 0.0004047100000000, 0.0005580500000000 ] - [ -0.0002809000000000, 0.0002450000000000, -0.0001663000000000 ] - [ -0.0000983400000000, 0.0002150400000000, -0.0000765900000000 ] - [ 0.0003042800000000, -0.0001232600000000, -0.0001914700000000 ] - [ -0.0000033800000000, -0.0000108600000000, 0.0000249000000000 ] - [ 0.0000011600000000, -0.0000289600000000, -0.0000118000000000 ] - [ -0.0001022100000000, 0.0001957400000000, 0.0001038100000000 ] - [ 0.0000019000000000, 0.0000050800000000, 0.0000225300000000 ] - [ 0.0001021700000000, 0.0001538400000000, 0.0000910500000000 ] - [ -0.0000017900000000, -0.0000355600000000, 0.0000057600000000 ] - [ 0.0000030700000000, 0.0000293600000000, 0.0000078200000000 ] - [ -0.0000010700000000, 0.0000118200000000, -0.0000273800000000 ] - [ 0.0002420700000000, -0.0000138600000000, -0.0000121900000000 ] - [ 0.0001867700000000, -0.0000140600000000, -0.0000118600000000 ] - [ -0.0001327100000000, 0.0000003400000000, 0.0000057800000000 ] - [ -0.0002988900000000, 0.0000001600000000, 0.0000056900000000 ] - [ 0.0002691800000000, -0.0002957700000000, 0.0001127700000000 ] - [ -0.0006986300000000, -0.0003005500000000, 0.0001126900000000 ] - [ 0.0001271300000000, 0.0000357300000000, -0.0000261400000000 ] - [ 0.0003053400000000, 0.0000357600000000, -0.0000260700000000 ] - [ -0.0002825600000000, 0.0002789500000000, 0.0001764400000000 ] - [ -0.0002747800000000, 0.0002338600000000, 0.0001570400000000 ] - [ 0.0002690400000000, -0.0002243500000000, 0.0001633800000000 ] - [ 0.0002825400000000, -0.0002412600000000, 0.0001642000000000 ] - [ 0.0002821800000000, 0.0002457000000000, -0.0001658600000000 ] - [ 0.0002682100000000, 0.0002281100000000, -0.0001654300000000 ] - [ -0.0002679200000000, -0.0001906700000000, -0.0001531200000000 ] - [ -0.0002758500000000, -0.0002357600000000, -0.0001726900000000 ] - [ 0.0001537000000000, -0.0001036000000000, 0.0003457100000000 ] - [ 0.0001937900000000, -0.0002318900000000, 0.0001893400000000 ] - [ -0.0002152700000000, 0.0002089400000000, 0.0002039000000000 ] - [ -0.0001886000000000, 0.0002032500000000, 0.0001831100000000 ] - [ -0.0001919600000000, -0.0002006400000000, -0.0001644200000000 ] - [ -0.0002182900000000, -0.0002063800000000, -0.0001851200000000 ] - [ 0.0002503800000000, 0.0003043800000000, -0.0000174200000000 ] - [ 0.0002130900000000, 0.0001777500000000, -0.0001810500000000 ] - [ -0.0002749100000000, 0.0002243200000000, -0.0002128600000000 ] - [ -0.0001581800000000, 0.0002420500000000, -0.0001566900000000 ] - [ 0.0002176100000000, -0.0001847200000000, -0.0001989200000000 ] - [ 0.0001917200000000, -0.0002107600000000, -0.0001792300000000 ] - [ 0.0001898000000000, 0.0002246500000000, 0.0001695900000000 ] - [ 0.0002151200000000, 0.0001991400000000, 0.0001891500000000 ] - [ -0.0001328300000000, -0.0001858200000000, 0.0001550400000000 ] - [ -0.0002499300000000, -0.0001666900000000, 0.0002122100000000 ] - [ 0.0002539800000000, 0.0002245600000000, 0.0001761300000000 ] - [ 0.0002753600000000, 0.0002356300000000, 0.0001591700000000 ] - [ -0.0003129200000000, -0.0002346400000000, 0.0001425600000000 ] - [ -0.0002465600000000, -0.0002403700000000, 0.0001509100000000 ] - [ -0.0002381100000000, 0.0002332600000000, -0.0001867300000000 ] - [ -0.0003041400000000, 0.0002279200000000, -0.0001792200000000 ] - [ 0.0002953400000000, -0.0002445600000000, -0.0001541000000000 ] - [ 0.0002756700000000, -0.0002342400000000, -0.0001703500000000 ] - [ -0.0005790400000000, -0.0003480100000000, -0.0001514000000000 ] - [ -0.0000097400000000, -0.0000197300000000, 0.0001987500000000 ] - [ 0.0378710800000000, 0.0141590800000000, 0.0383295800000000 ] - [ -0.0000156900000000, 0.0000982900000000, 0.0000721100000000 ] - [ -0.0385846100000000, 0.0141842700000000, 0.0388167200000000 ] - [ 0.0000144300000000, -0.0001312800000000, -0.0001790100000000 ] - [ 0.0005801200000000, -0.0001195000000000, -0.0004078900000000 ] - [ 0.0000131600000000, 0.0002124700000000, -0.0000559200000000 ] - [ 0.0003931400000000, 0.0001822600000000, 0.0003721300000000 ] - [ 0.0000085800000000, 0.0002598800000000, -0.0001771900000000 ] - [ 0.0183772100000000, -0.0144191700000000, 0.0158159200000000 ] - [ 0.0000060000000000, -0.0002769000000000, -0.0001383800000000 ] - [ -0.0183431400000000, -0.0139529000000000, 0.0162408800000000 ] - [ -0.0000071500000000, 0.0002322700000000, 0.0001539100000000 ] - [ -0.0003934300000000, -0.0003207800000000, 0.0006710500000000 ] - [ -0.0000096300000000, -0.0002463500000000, 0.0001167900000000 ] - [ 0.0012605600000000, 0.0000908800000000, -0.2398782500000000 ] - [ 0.0000494600000000, 0.0000129000000000, 0.0000366300000000 ] - [ -0.0000623000000000, -0.0002730000000000, -0.0000482000000000 ] - [ -0.0000496800000000, -0.0000037700000000, 0.0000144800000000 ] - [ -0.0000987100000000, 0.0000370900000000, -0.0029051600000000 ] - [ -0.0000508000000000, -0.0000139100000000, 0.0000151200000000 ] - [ 0.0000510800000000, -0.0000165800000000, 0.0000213400000000 ] - [ 0.0000513000000000, -0.0000040700000000, 0.0000072900000000 ] - [ 0.0000184200000000, 0.0000206000000000, 0.0000082900000000 ] - [ 0.0000014400000000, -0.0001195700000000, 0.0001064800000000 ] - [ 0.0000123200000000, 0.0001218400000000, 0.0000766400000000 ] - [ -0.0000230500000000, 0.0001221500000000, 0.0001498000000000 ] - [ -0.0000099200000000, -0.0001088900000000, -0.0001735300000000 ] - [ 0.0000235900000000, -0.0001079100000000, -0.0001008800000000 ] - [ -0.0000141300000000, 0.0002456500000000, -0.0002418000000000 ] - [ -0.0000001800000000, 0.0001109200000000, -0.0001461500000000 ] - [ -0.0000789900000000, 0.0002156100000000, 0.0000201200000000 ] - [ 0.0000002800000000, 0.0002532500000000, -0.0001404900000000 ] - [ -0.0000287400000000, -0.0003451700000000, -0.0000758800000000 ] - [ -0.0000092600000000, -0.0002597300000000, -0.0001680100000000 ] - [ 0.0000305800000000, 0.0001614900000000, 0.0002199100000000 ] - [ 0.0000094600000000, 0.0002475000000000, 0.0001257400000000 ] - [ 0.0000865900000000, -0.0002916800000000, 0.0003103700000000 ] - [ 0.0000008800000000, -0.0002527900000000, 0.0001543600000000 ] - [ 0.0000134100000000, -0.0000029100000000, 0.0000214600000000 ] - [ 0.0000881700000000, -0.0000027300000000, 0.0000216300000000 ] - [ -0.0000676800000000, -0.0000224900000000, 0.0000063300000000 ] - [ -0.0000341000000000, -0.0000222000000000, 0.0000069700000000 ] - [ -0.0003638200000000, -0.0000968300000000, 0.0000399000000000 ] - [ 0.0002618000000000, -0.0000948300000000, 0.0000405700000000 ] - [ 0.0002351400000000, -0.0005165500000000, 0.0000426500000000 ] - [ -0.0001342800000000, -0.0005222600000000, 0.0000367400000000 ]